TECHNICAL PROGRAM - American Chemical Society Publications

PRES TECHNICAL PROGRAM 

PRES 

Presidential Event 

J. Francisco, ACS President, 

Program Chair 

SUNDAY AFTERNOON 

Section B 

Boston Convention & Exhibition Center 

Room 210A 

Translational Chemical R&D: The Driving 

Force of Job Creation Cosponsored by CCR 

F. E. Walworth, Organizer 

1:30 Introductory Remarks. S. W. Synder, 

H. Semerjian 

1:40 Translational chemical R&D: The driving 

force of job creation. P. N. Confalone 


force of job creation. C. A. Mirkin 


force of job creation. M. Alger 

2:40 Question and Answer 


force of job creation. M. G. Allen 


force of job creation. E. D. Isaacs 


force of job creation. C. W. Wessner 

4:10 Question and Answer 

Section C 


Room 210B/C 

The Impact of Science and Technology on 

the Future of Global Healthcare 

D. Phillips, Organizer, Presiding 

2:00 Welcome. J. Francisco, ACS President 

2:10 Introductory Remarks. D. J. Phillips 

2:15 T.Z. and Irmgard Chu Distinguished 

Professor. C. R. Bertozzi 

3:00 Biotech 2010 Life Sciences: Adapting 

for success. S. Burrill 

3:45 A diet for health and longevity: How do 

we get there? B. N. Ames 

4:30 Biomaterials and biotechnology: From 

the discovery of angiogenesis inhibitors 

to the development of drug delivery systems 

and the foundation of tissue engineering. 

R. S. Langer 

5:15 Closing Remarks. 

Section A 


Room 254A/B 

Astellas USA Foundation Award: Lectures 

in Research and Process Chemistry to 

Improve Human Health Symposium 

2–TECH 


2:00 Introductory Remarks: J. Francisco, 

ACS President 

2:10 Introductory Remarks: K. Voorhees 

2:15 1. Chemistry of breathing: Lung surfactant 

and its role in the proper functioning 

of the lung. K. C. Lee 


3:00 2. Global arsenic crisis in drinking water: 

New findings for sustainable solution. 

A. K. SenGupta 


3:45 3. Synthesis and characterization of 

carotenoids and their metabolites in human 

serum and ocular tissues and their 

implication in the prevention of agerelated 

macular degeneration. 

F. Khachik 

‡ Cooperative Cosponsorship 

4:25 Concluding Remarks: K. Voorhees 

Connections to Germany and Europe: 

Education and Research Opportunities 

Sponsored by CHED, Cosponsored by CHED, 

IAC, PRES, SCTF, SOCED, WCC, and YCC 

MONDAY MORNING 

Section B 


Room 210A 

Sustainability Education 


8:30 Introductory Remarks: J. S. Francisco, 

ACS President 

8:45 4. Sustainability education: A challenge 

to the engineering profession. B. Allenby 

9:15 5. Words into action: Sustainability. 

F. Wood-Black 

9:45 Break 

10:00 6. Youth encounters on sustainability: 

A new educational paradigm. R. Baud 

10:30 7. Sustainability: Matching our curriculum 

to our planet. C. Middlecamp 

11:00 Q&A/Discussion 

Section A 


Room 210B/C 

Excellence in the Undergraduate Chemistry 

Curriculum: A Global Perspective 

Cosponsored by CPT and SOCED 

C. Larive, Organizer, Presiding 

8:50 Introductory Remarks 

9:00 8. Excellent chemistry students require 

excellent chemistry programs. 

C. G. Gutierrez 

9:30 9. Diversity equity is a figure of merit. 

R. Hernandez 

10:00 10. Using the 2008 ACS Guidelines to 

promote excellence and improve rigor in 

undergraduate chemistry education. 

W. F. Polik 

10:30 11. Post-Bologna process undergraduate 

chemistry curricula in Europe. 

A. K. Smith 

11:00 12. Atlantis: An international exchange 

program for undergraduates majoring 

in chemistry from the United 

States, Ireland and Germany. 

S. M. Lunte, C. E. Lunte, F. Regan, 

P. James, J. Aube, O. Reiser 

Chemistry and Policy: Solving Problems at 

the Interface 

The Interface, Health, Environment, and 

Security Sponsored by CHED, Cosponsored 

by AGRO, ANYL, BIOL, CCPA, CHAS, COLL, 

HIST, I&EC, INOR, NUCL, ORGN, POLY, 

PRES, SCHB, and WCC 

MONDAY AFTERNOON 

Section A 


Room 210B/C 



Cosponsored by CPT and SOCED 

C. Larive, Organizer, Presiding 


1:30 13. America’s great idea: Advancing 

community college education in the US 

and abroad. J. V. Clevenger 

2:00 14. Improving student engagement in 

the laboratory: An initiative across all 

Australian universities. S. C. Barrie, 

M. A. Buntine, K. Burke da Silva, K. Lim, 

S. Pyke, M. Sharma, A. Yeung, 

S. H. Kable 

2:30 15. Integration of research and teaching 

in the classroom. J. M. Gentile 

3:00 16. Enriching undergraduate education 

in Chemistry to achieve global competitiveness: 

The value of an international 

REU program. L. E. Echegoyen 

3:30 17. Think globally: Study abroad opportunities 

for science undergraduates. 

M. Z. Hoffman 

Section B 


Room 210A 

ACS/CEI Recognition of Exemplary Work in 

Incorporation of Sustainability into 

Chemistry Curriculum 

Cosponsored by CEI 

M. Fisher, Organizer, Presiding 

1:30 Introductory Remarks. C. A. Hunt 

1:45 2. Infusing sustainability / green chemistry 

across the undergraduate and graduate 

curricula, and beyond. M. Cann 

2:30 3. Sustainability as the organizing 

theme for a chemistry laboratory program. 

S. Sutheimer 

3:15 4. Expanding access to experimental 

science through green chemistry. 

K. M. Doxse 

4:00 5. Facilitating simpler, safer, and sustainable 

experimental chemistry education. 

J. G. Ibanez 

Section C 

Sheraton Boston 

Back Bay Ballroom C 

ACS Scholars Program Results: Stories 

Highlighting 15 Successful Years 

Cosponsored by CMA, CTA, CWD, PROF, 

WCC, and YCC Financially supported by PPG 

Industries Foundation 

L. Watkins, Organizer 

C. Gutierrez, Presiding 

2:00 Remarks by ACS President Joe Francisco 


2:10 18. ACS Scholars Program: From concept 

to fruition. C. G. Gutierrez 

2:30 19. ACS Scholar’s Journey: Erica 

Thorne. E. Thorne 

2:40 20. ACS Scholar’s Journey: Jacqueline 

Thomas. J. B. Thomas 

2:50 21. ACS Scholar’s Journey: Amy Paris. 

A. K. Paris 

3:00 22. ACS Scholar’s Journey: Bart Bartlett. 

B. Bartlett 

3:10 23. ACS Scholar’s Journey: Bernadette 

Hernandez-Sanchez. 

B. A. Hernandez-Sanchez 

3:20 24. ACS Scholar’s Journey: José Cintrón.J. 

M. Cintrón 

3:30 Panel Discussion 


the Interface 

The Scientist in Public Service, Energy, and 

Innovation Sponsored by CHED, 

Cosponsored by AGRO, ANYL, CHAS, COLL, 

HIST, I&EC, INOR, NUCL, ORGN, POLY, and 

PRES 

TUESDAY MORNING 

Section B 


Back Bay Ballroom B 

Women Chemists of Color (WCoC) Summit: 

Getting to the Table Cosponsored by CMA, 

JSD, PROF, and WCC 

G. Thomas, Z. Wilson, Organizers, 

Presiding 


8:25 25. Julia Chan: Louisiana State University. 

J. Chan 

8:35 26. Robyn Hannigan: University of 

Massachusetts at Boston. R. Hannigan 

8:45 27. Malika Jeffries-El: Iowa State University. 

M. Jeffries-El 

8:55 28. Linette Watkins: Texas State University 

- San Marcos. L. Watkins 

9:05 29. Kristala Jones Prather: Massachusetts 

Institute of Technology. 

K. J. Prather 

9:15 30. Shu Shu: Shell International Exploration 

and Production. S. Shu 

9:25 31. Sharon Kennedy: Colgate-Palmolive 

Company. S. L. Kennedy 


9:55 Intermission 

10:10 Question and Answer Session 

11:10 Concluding Remarks 

Section A 


Room 210A 

Encouraging Disadvantaged Students into 

Careers in the Chemical Sciences ACS 

Award Symposium in Honor of 

Robert L. Lichter 

C Gutierrez, F. E. Walworth, Organizers, 

Presiding 

8:30 Introductory Remarks. C. Gutierrez 

8:40 Arabs, Muslims, and diversity in American 

science. N. B. Jackson 

9:10 Same as it ever was: the status of doctoral 

level underrepresented US racial 

and ethnic minorities in science and engineering. 

W. Pearson, Jr. 

9:40 The economics of diversity in the 

chemistry profession 1968-2009. 

S. J. Myers, Jr. 

10:10 Intermission. 

10:25 Encouraging diversity. T. Maldonaldo 

10:55 Encouraging diversity. J. Wyche 

11:25 Question and Answer. 

11:55 Closing Remarks. C. Gutierrez 

TUESDAY AFTERNOON 

Section A 


Room 210A 

Encouraging Disadvantaged Students into 

Careers in the Chemical Sciences ACS 

Award Symposium in Honor of 

Robert L. Lichter 

C Gutierrez, F. E. Walworth, Organizers, 

Presiding 

1:30 Introductory Comments and Introduction 

of Award Recipient. C. Gutierrez 

1:45 Award Address (ACS Award for Encouraging 

Disadvantaged Students into 

Careers in the Chemical Sciences Sponsored 

by The Camille and Henry Dreyfus 

Foundation, Inc.) Thank you for opening 

the doors to a beautiful career. R. L. 

Lichter 

2:20 Who so few? M. C. Adams 

2:50 Intermission. 

3:05 Encouraging diversity. T. Q. Gray 

3:35 Encouraging diversity. W. Harris 

4:05 Question and Answer. 

4:50 Closing Comments. C. Gutierrez 

Section B 


Room 210B 

Laboratory Safety Cosponsored by CCS, 

CHAS, and financially supported by Board of 

Chemical Sciences and Technology of the 

National Research Council, and National 

Academies 


Photographing or recording 

meeting sessions and/or 

activities other than your own 

are prohibited at all official 

ACS events without written 

consent from ACS.


1:40 32. Prudent practices in the laboratory: 

Handling and management of chemical 

hazards. W. F. Carroll Jr., B. L. Foster, 

K. Hughes 

2:10 33. Development of chemical safety 

program at Chulalongkorn University. 

S. Tantayanon 

2:40 34. Promoting chemical laboratory 

safety and security in developing countries. 

C. P. Casey, T. M. Masciangioli 

3:20 35. The state of chemical safety in laboratories 

of African universities. 

T. Engida 

4:00 36. Safety in academic laboratories: 

The perspective of the US Chemical 

Safety Board. J. Bresland 

Section C 


Back Bay Ballroom B 

Women Chemists of Color Summit: Staying 

at the Table Cosponsored by BMGT, CMA, 

COMSCI, JSD, PROF, and YCC 

A. Charlebois, J. Iriarte-Gross, R. Libby, 

I. Montes, Organizers 

J. Bryant, N. N. Bridges, Organizers, 

Presiding 


2:05 37. Hispanic women: How to rise 

above challenges and move forward? 

I. Montes 

2:15 38. Navigation of my career. E. Harris 

2:25 39. Where are the underrepresented 

minority women chemistry professors? 

D. Nelson 

2:35 40. Being the “only” one and making it 

work. N. Bridges 



WEDNESDAY EVENING 

POLY/PMSE Plenary Lecture and Awards 

Reception Sponsored by POLY, 

Cosponsored by PMSE and PRES 

CPCD 

Chemistry for Preventing 

& Combating Disease 

J. Finley and K. A. Jacobson, 

Program Chairs 


Job Growth in This Economy?: Clinical 

Supply Manufacture and Local Economies 

of Scale Sponsored by BMGT, Cosponsored 

by CPCD 


Open-source Drug Discovery Sponsored by 

BMGT, Cosponsored by CPCD, MEDI 



BMGT, Cosponsored by CPCD, MEDI 

AEI 

Academic Employment 

Initiative 

C. Kuniyoshi and J. Z. Sostaric, 


MONDAY EVENING 

Section A 

Boston Convention & Exposition Center 

Hall C 

Academic Employment Initiative 

C. Kuniyoshi, J. Z. Sostaric, Organizers 

8:00–10:00 

1. Allergens in propolis: Analytical problems 

and removal treatments. A. Aliboni 

2. Molecular beam study on nonthermal 

plasma treatment of air pollutants. L. He 

3. Histone modifications: Using chemical 

and biochemical techniques to explore 

the functions and regulatory enzymes of 

these complex and essential marks. 

E. M. Kolonko,J.M.Denu 

4. Translating the small molecule “languages” 

that regulate behavior in biological 

systems. A. G. Palmer 

5. Small molecule regulation of an algal-bacterial 

symbiosis. M. R. Seyedsayamdost, 

R. J. Case, R. Kolter, J. Clardy 

6. Designing, implementing, and evaluating 

research-based innovations in undergraduate 

chemistry courses: Giving students 

the foundation to succeed at all 

levels of chemistry. M. Barker 

7. Nano- and micron-sized particle design, 

functionalization, and patterning. 

E. M. Glogowski, J. S. Moore, 

J. A. Lewis 

8. Insights and applications of using various 

aryl-azido compounds for the inactivation 

of human immunodeficiency virus (HIV-1): 

Towards the generation of a novel inactivated 

vaccine strategy. J. M. Belanger, 

Y. Raviv, M. Viard, J. W. Bess, 

R. Blumenthal 

9. Withdrawn 

10. Oligophenylenaminones: Novel scaffold 

for helix mimicry. M. J. Adler, 

A. D. Hamilton 

11. Application of computational chemistry 

methods to biological systems and drug 

discovery. S. Zhong 

12. Collective behavior in biomimetic microcapsules. 

A. Bhattacharya 

13. Investigating the design of natural and 

artificial nanostructures and their applications 

to nanomedicine. A. Y. Koyfman 

14. Evaluating the Bruker SMART X2S 

bench-top system: A means to bringing 

X-ray crystallography into the undergraduate 

curriculum. U. I. Zakai, I. A. Guzei, 

N. J. Hill 

15. Multifunctional contrast agents for targeted 

and multimodal molecular imaging. 

C. Tu 

16. Interactions of Re(CO) 3 � based compounds 

with cells and proteins. 

S. L. Binkley, C. J. Ziegler, R. S. Herrick, 

R. S. Rowlett, A. Milsted 

17. Development of novel tools to probe biological 

functions. D. D. Young, A. Deiters, 

P. G. Schultz 

18. Probing cellular DNA/protein interactions 

using chromatin DNA rehybridization to 

identify transcription factors of oncogenes. 

H. Zhang, S. K. Morse, 

L. B. McGown 

19. Photobiogeochemistry of dissolved organic 

matter in natural waters. 

E. M. White 

20. Synthesis, characterization, and reactivity 

of electrophilic iridium and rhodium 

pincer complexes. M. Findlater, 

M. Brookhart 

21. Imaging and catalysis: Fluorescent sensors 

for metal ions, organocatalysis, and 

lanthanide-based catalysis. Y. Mei 

22. Enzymatic active site modeling and transition 

metal containing assemblies for industrial 

and medicinal applications. 

M. Kumar 

23. Learning from Nature: The design and 

application of bioinspired catalysts for 

oxidation chemistry. G. Xue, L. Que, Jr. 

24. Carbon nanotubes based solar energy 

collectors, a bioorganic DNA derivative 

skin cancer model, and synthetic methodology 

for pharmaceuticals for Alzheimer’s 

disease. J. Hahn 

25. Synthesis, chararacterization, and applications 

of polymeric materials. 

M. J. Nasrullah 

26. Main group organometallic chemistry 

and reactivity of carbonyl compounds. 

K. J. Kolonko, H. J. Reich 

27. Palladium and iron catalyzed direct arylation 

reactions. J. J. Mousseau, 

A. B. Charette 

28. Innovative technologies for natural products 

discovery. A. Y. Odendaal, 

D. J. Trader, E. E. Carlson 

29. Learn by doing: Creating an effective undergraduate 

experience through teaching 

and research. A. Moser 

30. Boronic acid end-functionalized polycaprolactone 

polymers as macromolecular 

reagents for the development of novel 

materials. A. L. Korich, P. M. Iovine 

31. First-principles based modeling of molecular 

electronic excitations in biological 

systems. D. Kosenkov, L. V. Slipchenko 

32. Improved solar systems based on selfassembled 

nanomaterials, and improved 

formulations of vaccines and protein 

drugs. V. Kayser 

33. Silicon-based nanomaterials for alternative 

energy and biocompatible luminescent 

imaging. E. A. McArthur 

34. Terahertz spectroscopy as an incisive 

tool to elucidate protein conformation 

and role of biological water in Alzheimer’s 

disease. Z. Ahmed, D. F. Plusquellic 

35. Zwitterionic/mixed-charge polymers as 

next-generation biomaterials. Z. Cao, 

S. Jiang 

36. First principles study of the photodynamics 

of oxidized silicon clusters. 

B. G. Levine 

37. Putting � bonds to work in organic electronics. 

S. A. Odom, J. E. Anthony, 

S. R. Marder, J. S. Moore 

38. Bioinspired design and synthesis of hierarchical, 

adaptive, dynamic architectures. 

P. Kim 

39. Modeling macromolecular structure, dynamics 

and energetics. J. L. Knight, 

C. L. Brooks 

40. Improving delivery of opioid peptides 

across blood-brain barrier by glycosylation. 

D. Muthu, C. M. Keyari, Y. Li, R. Polt 

41. Bridging homogeneous and heterogeneous 

chemistry to develop new catalysts, 

learn fundamentals of reactivity, 

and educate the next generation of scientists. 

D. R. Weinberg 

42. Isothermal-isobaric ab initio molecular 

dynamics: Application to water. Z. Ma, 

M. Tuckerman 

43. Electrochemical preparation of p-type 

ternary metal oxides for solar energy conversion. 

C. G. Read,K.Choi 

44. Materials with purpose: Designer materials 

for applications from every approach. 

A. P. Esser-Kahn, J. S. Moore 

45. Development of the first Lewis base catalyzed, 

enantioselective selenocyclization 

reaction and progress toward novel carbon-carbon 

bond forming technologies 

for carbon nanotube and graphitic surface 

functionalization. W. R. Collins, 

T. M. Swager, S. E. Denmark 

46. New format carbohydrate microarray: Its 

application for identification of multivalent 

inhibitors. Y. Zhang,Q.Li, 

L. G. Rodriguez, C. Campbell, 

D. Farnsworth, J. C. Gildersleeve 

47. Facilitating sustainable energy solutions 

with computational tools. Y. A. Kholod, 

M. S. Gordon 

PRES/CPCD/AEI 

48. Study of electron-transfer in transition 

metal complexes with valence resonant 

inelastic X-ray scattering. D. A. Meyer, 

K. J. Gaffney, U. Bergmann 

49. Photon and electron induced reaction 

dynamics at the vacuum-surface and 

buried interface of ice covered graphitic 

and silicate grains. H. L. Abbott, 

G. A. Grieves, M. Dawley, J. L. McLain, 

T. M. Orlando 

50. Synthesis and characterization of nanobuilding 

blocks for materials design. 

M. F. Roll 

51. Smart polymer-protein conjugates by 

RAFT polymerization: Potential applications 

in drug delivery. H. Li 

52. Using organometallic catalysts as oxidants 

for fuels and devices. J. F. Hull, 

T. J. Meyer, G. W. Brudvig, R. H. Crabtree 

53. Alterations in the serum metabolome induced 

by chronic inflammation. 

E. G. Prestwich, I. Babu, K. Taghizadeh, 

P. C. Dedon 

54. Exploring excitons and plasmons in single 

nanocrystals and nanostructures. 

J. Zhao, M. G. Bawendi 

55. Optical spectroscopy investigations of 

carbon-based nanomaterials for fundamental 

energy sciences research. 

J. R. Rocha, H. Zhou, M. J. Heben, 

L. J. Simpson, J. L. Blackburn 

56. Noble metal nanoparticles: Plasmon-mediated 

synthesis and assembly. 

J. Zhang,C.A.Mirkin 

57. Investigation of ring-size effect of cyclooctene-based 

oligomeric Co-salen 

catalysts on hydrolytic kinetic resolution 

of epoxides. Y. LIU,M.Weck 

58. Sugar-responsive organoboron block 

copolymers. J. N. Cambre,D.Roy, 

B. S. Sumerlin 

59. Reversible hydrogen storage and hydrogen 

multicenter bonds: Fundamental 

study on metal hybrid clusters. 

T. Dhilip Kumar 

60. Probing the assembly of the molybdenum-iron 

cofactor (FeMo-co) of nitrogenase 

using Mössbauer and EPR spectroscopies. 

Y. Guo, M. Demuez, 

L. M. Rubio 

61. Bioactive synthetic nanostructured extracellular 

matrices for biomedical applications. 

W. Suh, G. D. Stucky, M. Tirrell 

62. Stereodynamic tripodal ligand with three 

different coordinating arms: Synthesis 

and Zinc(II), Copper(I) complexation 

study. J. Liang,J.W.Canary 

63. QM/MM model and water splitting mechanism 

of the O 2-evolving complex of photosystem 

II. E. M. Sproviero, 

G. W. Brudvig, V. S. Batista 

64. Understanding structure-property relationships 

in the design of chemosensors, 

chromophores, and electronic devices. 

T. L. Andrew 

65. Confined laser IR resonance vibrational 

decomposition of molecular precursors: 

A new strategy for superhard materials 

syntheses and ceramic/polymer composite 

formation. bridging the gap between 

chemistry, physics, and materials science. 

B. L. Ivanov 

66. Fluorescent probes and switches based 

on the xanthene dyes rhodamine and fluorescein. 

C. J. Stephenson 

67. Finding new energy materials using computational 

chemistry and high-throughput 

screening. U. Das,W.H.Green 

68. Polycyclic aromatic hydrocarbons in science 

and technology. F. S. Ehrenhauser, 

M. J. Wornat, K. T. Valsaraj 

The official technical program 

for the 240th National Meeting 

is available at: 

www.acs.org/boston2010 

TECH–3

AEI/AGFD TECHNICAL PROGRAM 

69. Stereoselective formation of N 2 -dG: 

N 2 -dG carbinolamine interstrand crosslinks 

arising from enal derived exocyclic 

1,N 2 -dG adducts. H. Huang, 

I. D. Kozekov, H. Wang, C. J. Rizzo, 

M. P. Stone 

70. Applying single chomophore spectroscopy 

to problems in nanoscience, biology, 

and medicine. L. F. Marshall, 

M. Bawendi 

71. Aerobic oxidation and reductive elimination 

from platinum and palladium organometallic 

complexes. 

J. R. Khusnutdinova 

72. Exploring the photoreduction of Au(III) 

complexes in the gas-phase. 

J. C. Marcum, S. H. Kaufman, 

J. M. Weber 

73. Deciphering the bioinorganic chemistry 

of life by using designed peptides and 

proteins as chemical tools to probe living 

systems. A. R. Reddi, V. C. Culotta, 

B. R. Gibney 

74. Progress towards integration of cobaltbased 

water oxidation catalyst with thin 

film cobalt anodes and low-bandgap 

semiconductor photoanodes. 

E. R. Young, V. Bulovic 

75. Green chemistry for a sustainable world: 

Biomimetic, organocatalytic, and transition 

metal catalyzed oxidations. 

F. G. Gelalcha 

76. Li � fluoroionophores comprised of coumarin 

derivatives substituted with crown 

ethers. D. L. Nutbrown, C. Stevens, 

J. Milligan, M. Perry 

77. Self-assembly of molecular architectures 

through metal coordination chemistry. 

L. A. Levine, M. E. Williams 

AGFD 

Division of Agricultural 

and Food Chemistry 

A. Mitchell, Program Chair 

SUNDAY MORNING 

Section A 


Room 160A 

Undergraduate Research Symposium 

4–TECH 

C. Brine, Organizer 

C. J. Brine, Presiding 


8:35 1. Chemical and mathematical approaches 

to promote the development of 

functional foods rich in natural antioxidants. 

J. Hao 

9:05 2. Investigating the effect of common 

antioxidants on the generation and fate of 

pyrazinium radicals in the Maillard reaction. 

Q. Bin, D. G. Peterson, R. J. Elias 

9:35 3. Stability of dietary polyphenolics under 

gastrointestinal conditions. 

M. A. Krook 


10:20 4. Starch retrogradation in gluten-free 

sorghum bread. E. Buckley 

10:50 5. Accumulation and toxicity of engineered 

nanoparticles to agricultural 

crops. J. Hawthorne 

11:20 6. Total polyphenol antioxidants in legumes: 

A major source of antioxidants. 

B. W. Redan, M. G. Coco, J. A. Vinson 



Section B 


Room 161 

Agricultural and Food Derived Natural 

Products for Preventing and Combating 

Disease Purification and Characterization 

of Natural Compounds 

B. Patil, G. Jayaprakasha, K. Chidambara 

Murthy, N. P. Seeram, Organizers 

F. Pellati, G. Gowda, Presiding 


8:35 7. Comprehensive study of Digitalis 

Purpurea by selective ionization of cardiac 

glycosides using ESI-LC-QTrap. 

F. Shadkami, M. D. Celiz, A. D. Jones 

9:00 8. Rapid method for the separation of 

polymethoxyflavones using flash chromatography. 

R. M. Uckoo, 

G. K. Jayaprakasha, B. S. Patil 

9:25 9. Release of bound procyanidins from 

cranberry pomace by alkaline hydrolysis. 

B. L. White, L. R. Howard, R. L. Prior 


10:05 10. Correlating component variability 

of black raspberry (Rubus occidentalis L.) 

fruit extracts with chemical and biological 

responses using NMR data and multivariate 

statistical analysis. F. J. Wyzgoski, 

R. N. Reese, L. Paudel, P. L. Rinaldi, 

M. Ozgen, M. M. Giusti, J. Johnson, 

A. Z. Tulio, J. A. Bomser, J. K. Hardy, 

A. M. Chanon, J. C. Scheerens, 

A. R. Miller 

10:30 11. Metabolic profiling using isotope 

enhanced NMR spectroscopy methods 

for disease diagnostics. G. Gowda, 

D. Raftery 

10:55 12. Isolation and identification of polyphenolic 

compounds from Early Black 

Cranberry (Vaccinium macrocarpon), a 

pest-resistant cultivar. C. A. Dao, 

C. C. Neto, M. R. Salvas, 

J. E. Vanden Heuvel, B. T. Murphy 


Section C 


160C 

General Papers 

A. Mitchell, Organizer 

A. Loaiza, N. Da Costa, Presiding 


8:35 13. Cranberry flavonol glycoside bioavailability 

in humans with type-2 diabetes. 

N. Vorsa, A. P. Singh, T. Wilson, 

V. Vorsa 

8:55 14. Selective separation of polyphenols 

using magnetic beads coated with hydrogen 

bonding ligands. T. Dong, Q. Zhou, 

X. Xiong, S. Chen 

9:15 15. Induction of HCT116 and HT29 colon 

cancer cell death by cranberry proanthocyanidins 

via mitogen activated protein 

kinase pathway. A. M. Liberty, 

T. P. Ferreira, C. C. Neto 

9:35 16. Resveratrol as a kcat type inhibitor 

of tyrosinase enzyme: Potentials as a 

melanogenesis inhibitor. H. Satooka, 

I. Kubo 


10:10 17. Content of nutritional substances 

in commercial tea beverages. S. Li,C.Lo, 

N. E. Rawson, P. Lucas-Schnarre, C. Ho 

10:10 18. Acrylamide in cereal products: 

Precursors, formation, and control measures. 

A. Mustafa 

10:30 19. Surface plasmon resonance (SPR) 

detection of staphylococcal enterotoxin A 

in food samples. M. B. Medina 


Nutritional Chemistry Symposium 

Sponsored by SOCED, Cosponsored by 

AGFD 


Section B 


Room 161 



Disease In Vitro Model 


Murthy, Organizers 

N. P. Seeram, Organizer, Presiding 

B. Neelwarne, Presiding 


1:05 20. Isolation, structure elucidation, synthesis 

and cytotoxic activity of polyacetylenes 

and polyenes from Echinacea pallida. 

F. Pellati, A. Chicca, B. Adinolfi, 

G. Orlandini, F. Prati, P. Nieri, 

S. Benvenuti 

1:30 21. Potential therapeutic applications 

of common agro-food byproducts and 

Chilean wild plants. J. S. Torres, 

M. N. Garcia, M. Rubilar, M. Cascante, 

E. Alvarez, M. Sanchez 

1:55 22. Compositional characteristics of 

fruits of hawthorn (Crataegus sp.) and 

emblic leafflower (Phyllanthus emblica). 

B. Yang, H. Kallio, P. Liu, M. Kortesniemi 

2:20 23. Natural pigments enhance stability 

of mRNAs of anti-oxidant enzymes in cultured 

mammalian cells. B. Neelwarne, 

J. M. Veigas 


3:00 24. Sugar maple (Acer saccharum) 

phytochemicals: Antioxidant, antibacterial, 

and cancer cell cytotoxicity properties. 

L. Li, N. P. Seeram 

3:25 25. Carrot bisacetylenic oxylipins: Phytochemicals 

behind the mask of the superfood. 

B. T. Metzger 

3:50 26. Beyond olive oil: Active components 

and health aspects of some less 

known Mediterranean plant products. 

N. Kalogeropoulos, A. Chiou, 

A. C. Kaliora, V. T. Karathanos, 

N. K. Andrikopoulos 


Section A 


Room 160A 

Young Scientist Award Symposium 


C. J. Brine, Presiding 


1:35 27. Bioactive secondary metabolites 

from agro-food industrial byproducts as 

source of dietary supplements. 

G. Jayaprakasha, B. S. Patil 

2:05 28. Bioavailability and delivery of nutraceuticals 

using nanotechnology. 

Q. Huang 

2:35 29. Rhizospheric signaling: From positive 

feedback to innate plant defense. 

H. Bais 


3:20 30. Stable isotope dilution assays for 

quantification of bioactives: Challenges 

and pitfalls. T. Stark 

3:50 31. Electrospun nanofibrous membranes: 

Novel materials for food technology 

applications. A. Arecchi 

4:20 32. Analytical techniques ensure performance 

and quality of encapsulates. 

D. DiNallo 


Section C 


Room 160C 


A. Mitchell, Organizer, Presiding 

N. Da Costa, K. Mahattanatawee, 

Presiding 


1:35 33. Enrichment of the antioxidant activity 

in potato tuber by ultrasound and electric 

treatments. K. Hironaka, T. Funato, 

H. Koaze 

1:55 34. Enhanced infusion of natural antioxidants 

into fruits using high hydrostatic 

pressure processing. S. Mahadevan, 

M. V. Karwe 

2:15 35. Pressurized hot ethanol extraction 

of carotenoids from carrot waste. 

A. Mustafa, C. Turner 

2:35 36. New paradigm for microwave extraction 

of essential oils and natural compounds. 

D. Gunn 


2:50 37. Food for thoughts: The potential for 

food patenting. K. B. Drake 

3:10 38. In vivo aroma release and sensory 

perception: The effect of HPMC concentration 

and viscosity. G. T. Eyres, 

D. C. Frank, U. Piyasiri, C. M. Delahunty 

3:30 39. GC-MS and sensory strawberry flavor 

changes at five maturity stages. 

X. Du, A. Plotto, E. Baldwin, R. Rouseff 

Careers in Chemistry 

What it’s Like in the Real World and How Do 

I Get the Job? Sponsored by SOCED, 

Cosponsored by AGFD 


Section A 


Room 160A 

Symposium Honoring Prof. Terry E. Acree 

on the Occasion of his 70th Year 


B. Halpern, C. J. Brine, Presiding 


8:05 40. Flavor chemistry and the perception 

of flavor. T. E. Acree 

8:45 41. Internet as a research tool for flavor 

chemistry: FlavorNet and beyond. 

D. D. Roberts 

9:15 42. Retronasal smelling: The roles of 

nasal cavity and oral cavity sensory systems. 

B. P. Halpern 


10:00 43. Unexpurgated CHARM of Terry 

Acree. J. V. Leland 

10:30 44. Phragrance and pharmacology. 

S. Firestein 

11:00 Award Presentation 


Section C 


Room 160C 



A. Rimando, K. Cadwallader, 

V. Acquarone, Presiding 






consent from ACS.


8:05 45. Rapid screening method for the determination 

of rodenticide content of 

commercial bait formulations. 

D. A. Goldade, D. L. Griffin, D. T. Keller 

8:25 46. Multiresidue pesticide analysis of 

botanical dietary supplements by GC- 

MS/MS and LC-MS/MS. F. Shi, 

J. W. Wong, K. Zhang, D. G. Hayward, 

T. H. Begley 

8:45 47. Determination of diphacinone in 

kestrel and rat brain tissue. S. F. Volker, 

K. E. Horak, B. A. Rattner, D. A. Goldade 

9:05 48. Genetic makeup of native proteins 

changes the secondary structure features: 

A synchrotron FTIR study of Arabidopsis 

seed storage proteins. 

T. Sanjeewa, D. D. Hegedus, P. Yu, 

X. Qiu, T. C. McIntosh, T. May, 

J. P. Wanasundara 


9:40 49. Effect of novel cutinase CcCut1 in 

degrading potato suberin and berry cutin. 

R. Järvinen, U. Holopainen, A. Nyyssölä, 

A. Silvestre, A. Gil, P. Lehtinen, 

J. Buchert, H. Kallio 

10:00 50. Native and synthetic autoinducers 

regulate the virulence of the plant pathogens 

Pectobacterium carotovora and 

Pseudomonas syringae in host plants. 

A. G. Palmer, E. Streng, H. E. Blackwell 

10:20 51. Poly(lactic acid) and Osage orange 

wood fiber composites for agricultural 

mulch films. V. Finkenstadt, 

B. Tisserat 

10:40 52. Uptake of organochlorine pesticides 

by agricultural crops: Mechanistic 

studies. W. A. Berger, M. I. Mattina 


Section B 


Room 161 




B. Patil, K. Chidambara Murthy, 

N. P. Seeram, Organizers 

G. Jayaprakasha, Organizer, Presiding 

H. Xiao, H. Humpf, Presiding 


8:35 53. Hydroxylated polymethoxyflavones 

from orange peel as novel cancer preventive 

agents. H. Xiao, P. Qiu, P. Dong, 

C. Ho, S. Li 

9:00 54. Anthocyanin-containing fruits and 

vegetables are functional foods with potential 

to ameliorate debilitating diseases. 

M. G. Nair 

9:25 55. Lipid accumulation and inflammation 

inhibition by Vaccinium floribundum 

proanthocyanidins. M. Schreckinger, 

J. Wang, G. Yousef, M. Lila, 

E. Gonzalez de Mejia 

9:50 56. Mediterranean wild plants: Endless 

source of natural food additives? 

A. Fiorentino, B. D’Abrosca, A. Esposito, 

M. Isidori, P. Monaco, S. Pacifico, 

S. Piccolella, A. Ricci, M. Scognamiglio 


10:30 57. Pig cecum model: A powerfull 

system to mimic the human intestinal metabolism 

of flavonoids. G. van ’t Slot, 

K. Rose, A. Engemann, H. Humpf 

10:55 58. Bioactive constituents from Formosan 

Kadsura and Schisandra. Y. Shen 

11:20 59. Chemical properties and antioxidant 

capacity of Chinese bay berry juice. 

X. Ye 



Section B 


Room 161 






D. Klimis-Zacas, S. Poulose, Presiding 


1:05 60. Berry extracts and brain aging: 

Clearance of toxic protein accumulation 

in brain via induction of autophagy. 

S. M. Poulose, D. F. Bielinski, 

B. Shukitt-Hale, D. R. Fisher, J. A. Joseph 

1:30 61. Composition of fruit and vegetative 

cranberry phenolics with relation to antioxidant 

capacity. N. Vorsa, A. P. Singh, 

T. Wilson, M. R. Freeman, V. Vorsa 

1:55 62. Enhanced production of anticancer 

Camptothecins in Camptotheca. S. Li, 

Z. Zhang, P. Wang, W. Yuan 

2:20 63. Chemical constituents and biological 

activity of Taiwanese sugar cane extract. 

Y. Wu 


3:00 64. Inhibition of intestinal alpha-glucosidases 

and anti-postprandial hyperglycemic 

effect of grape seed extract. 

K. Zhou 

3:25 65. Wild Blueberries (Vaccinium angustifolium): 

Modulators of vascular function, 

structure and metabolism. 

D. Klimis-Zacas 

3:50 66. Distribution and biological activity 

of Citrus juices flavonoids. D. Barreca, 

E. Bellocco, C. Caristi, U. Leuzzi, 

G. Gattuso 


Section A 


Room 160A 


on the Occasion of his 70th Year Award 

Symposium 


A. Taylor, D. Roberts, Presiding 


1:35 67. Flavor of foods: The sound of an orchestra 

rather than that of a single instrument. 

P. H. Schieberle 

2:05 68. What do we taste, when we taste? 

T. Hofmann 

2:35 69. Aroma release, qualia and perceived 

flavour. A. J. Taylor 


3:20 70. Identification of new strawberry sulfur 

volatiles and changes during maturation. 

X. Du, M. Song, R. L. Rouseff 

3:50 71. Gas chromatography olfactometry 

applications to dairy products: A wonderful 

friendship. S. Carpino 

4:20 72. Integrating the culinary arts and 

sciences in Terry Acree’s flavor world. 

C. Loss 


Section C 


Room 160C 

Cardiovascular Disease and Diabetes 

J. Finley, Organizer, Presiding 


1:35 73. Does lycopene have a role in the 

prevention of cardiovascular disease? 

H. D. Sesso 

2:05 74. Dietary fat and cardiovascular disease: 

Quantity or quality? 

A. Lichtenstien 

2:35 75. Polyunsaturated fatty acids and the 

endocannabinoid signalling system. 

B. A. Watkins 


3:10 76. Milk proteins in the regulation of 

food intake and metabolic syndrome. 

H. Anderson, B. Luhovyy, T. Akhavan, 

S. Panahi 

3:40 77. Cardiovascular health benefits of 

soy foods. J. W. Anderson 


Section D 


Room 153C 

Chemistry and Nutrition for Better Health 

Plenary Lecture 


4:00 78. Impact of early life nutrition on 

health and wellness. S. Roberts 

4:30 79. Optimum diets and natural products 

for disease prevention. B. N. Ames 

Undergraduate Research Posters 

Agricultural and Food Chemistry Sponsored 

by CHED, Cosponsored by AGFD and SOCED 



Hall C 

Sci-Mix 

N. Da Costa, Organizer 

8:00–10:00 

6. See previous listings. 

114, 118, 125, 126, 128, 131, 137, 138, 140, 

141, 142, 145, 151, 154, 155, 157, 160. 

See subsequent listings. 


Section A 


Room 160A 


on the Occasion of his 70th Year Award 

Symposium 


K. Cadwallader, R. Mcgorrin, Presiding 


8:05 80. Flavor chemistry of lemon-lime flavored 

carbonated beverages. B. Hausch, 

K. Cadwallader 

8:35 81. Perspectives on flavor analysis 

linked to chemosensory impact. 

R. J. McGorrin 

9:05 82. Zen and the art of chemosensory 

perception. J. F. Delwiche 


9:50 83. Playing with food: Flavor and food 

chemistry in the experimental restaurant 

kitchen. H. J. McGee 

10:20 84. Progression of the retronasal 

aroma simulator and flavor release sampling. 

K. D. Deibler 

10:50 85. Commercial consequences of 

Shallenberger and Acree’s AH,B theory of 

sweet taste. M. G. Lindley 


Section C 


Room 160C 

Nutrition and Brain Aging 



8:05 86. Behavioral and signaling effects of 

blueberries, strawberries, and walnuts: 

Quenching the fires of aging. J. Joseph, 

B. Shukitt-Hale, D. Fisher 

8:35 87. Application of calorie restriction 

and calorie restriction mimetics to attenuate 

brain aging. D. Ingram 


9:20 88. Role of an antioxidant diet and behavioral 

enrichment on cognition and 

neuropathology in the canine model of 

aging. E. Head 

9:50 89. Prevention approaches to Alzheimer 

disease: Omega-3 fatty acids and 

curcumin. G. M. Cole, Q. Ma, F. Yang, 

D. Gant, O. Ubeda, S. A. Frautschy 


Section B 


Room 161 






B. Dayal, C. Erlanson-Albertsson, 

Presiding 


8:35 90. Methyl jasmonate: A plant stress 

hormone as an anticancer agent. 

E. Flescher 

9:00 91. Methyl nomilinate inhibits SW480 

colon cancer cells growth through modulation 

of cell cycle regulators. J. Kim, 

G. Jayaprakasha, A. Vikram, B. S. Patil 

9:25 92. Isolation and chemical characterization 

of limonoids from Azadirachta indica 

and Melia azaderach with biological 

activity. P. Caboni, N. Ntalli, C. E. Bueno, 

L. E. Alchè 


10:05 93. Characterization of bioactive compounds 

of selected (sub)tropical fruits 

and leaves grown in Jeju and their antiproliferative 

effects on human cancer 

cells through apoptosis. S. K. Cho 

10:30 94. Influence of the target molecule 

on the ORAC index. C. López-Alarcón 

10:55 95. Bioactive compounds from okra 

seeds: Potential treatments for diabetes- 

Type 2 and cardiovascular disease. 

B. Dayal, M. Lea, N. H. Ertel 



Section B 


Room 161 



Disease In Vivo Model 



K. Shetty, Y. Park, Presiding 


1:05 96. Citrus monoterpene induces apoptosis 

and inhibits angiogenesis in human 

colon cancer cells. 

K. N. Chidambara Murthy, 

G. K. Jayaprakasha, B. S. Patil 

1:30 97. Bioactives from a traditional herb 

collected from the tropical rainforest. 

C. Choo 

1:55 98. (-)-Epigallocatechin-3-gallate protects 

neonatal rat cardiomyocytes 

against oxidative stress induced by anoxia/reoxygenation 

injury. W. Li, S. Nie, 

M. Xie,S.Zhang,K.Zhu 





AGFD 

TECH–5

AGFD TECHNICAL PROGRAM 

2:20 99. Conjugated fatty acids as a prevention 

tool for obesity and osteoporosis. 

Y. Park,Y.Park 


3:00 100. Phenolic antioxidant-enriched 

plant foods for prevention and management 

of type 2 diabetes and its complications. 

K. Shetty 

3:25 101. Bioactive constituents from Calamus 

quiquesetinervius and Astragalus 

membranaceus, and their evaluations in 

treating metabolic syndrome. Y. Kuo 

3:50 102. Protective effect of sesamol on 

stress-related mucosal disease in rats. 

D. Hsu, M. Liu 


Section A 


Room 160A 

Flavor Chemistry of Alcoholic Beverages 

T. Shellhammer, Organizer 

M. Qian, Organizer, Presiding 


1:35 103. Spice up your life: Analysis of key 

aroma compounds in Shiraz. 

M. J. Herderich, T. Siebert, M. Parker, 

D. Capone, D. Jeffery 

2:00 104. Formation of carotenoid-derived 

aroma compounds in wine. 

P. Winterhalter,R.Goek 

2:25 105. Aroma composition of a native 

American grape species (Vitis cinerea) 

wine by SPME-GC/O/MS. Q. Sun, 

E. Lavin, T. E. Acree, G. L. Sacks 


3:10 106. Streamlined analysis of potent 

odorants in distilled alcoholic beverages. 

J. Lahne, K. Cadwallader 

3:35 107. (In)stability of the beer’s bitter 

taste: A molecular insight. T. Hofmann 

4:00 108. Analytical investigations to relate 

important wine odorant 3-mercaptohexan-1-ol 

to its precursors. 

D. L. Capone, M. A. Sefton, D. W. Jeffery 


Section C 


Room 160C 

Cardiovascular Disease and Diabetes 



1:35 109. Is the antioxidant activity of polyphenols 

relevant for protection against 

cardiovascular. P. C. Hollman 

2:00 110. Fine chemical structures of dietary 

polyphenols and their importance in understanding 

their role in the prevention of 

diseases. A. Scalbert, J. Perez-Jimenez, 

J. Rothwell, M. Touvier, L. Feuzeu, 

P. Galan 

2:25 111. Cardiovascular health effects of 

plant polyphenols. K. D. Croft 


3:05 112. Food synergy and nutritional research. 

D. R. Jacobs 

3:30 113. Berry intake ameliorates pro-inflammatory 

factors that increase risk of 

cardiovascular disease. P. E. Milbury, 

W. Kalt 


Section D 


Hall C 

General Posters 

6–TECH 

N. Da Costa, Organizer 


2:00–4:00 

114. Direct detection of microbial mRNA by 

rolling circle amplification. T. Kobori, 

H. Takahashi, A. Matsumoto, 

S. Sugiyama 

115. Post mortem changes in gene expression 

of fish muscle tissues. M. Saito, 

T. Higuchi, N. Uchida, H. Suzuki 

116. Tensile and solubility properties of calcium 

caseinate films cross-linked with 

genipin. P. M. Tomasula,P.Qi 

117. Effect of estradiol-17 � on embryos of 

the giant freshwater prawn, Macrobrachium 

rosenbergii(de Man). 

N. Pakdeenarong 

118. Determination of chitosan in aqueous 

solutions. S. Zivanovic, R. Davis,J.Li 

119. Diterpenoids from the cultured soft 

coral Klyxum simplex. B. Chen, Y. Lu, 

J. Sheu 

120. Synthesis and biological evaluation of 

novel acylphloroglucinols. C. Chang, 

C. Tang, J. Liu 

121. Antibacterial properties of Baicalin (Radix 

scutellariae) and Berberine (Rhizama 

coptidis) for Staphylococcus aureus, 

Escherichia coli and Bacillus atrophaeus. 

A. Shah,S.Cai 

122. Globospiramine, a new antituberculosis 

bisaspidospermidine indole alkaloid from 

Voacanga globosa. A. G. Macabeo, 

W. S. Vidar, M. Barbic, A. M. Aguinaldo, 

S. G. Franzblau, G. A. Cordell 

123. Studies of prenylflavonoids from the 

plant origin of Okinawan propolis. 

S. Kumazawa, N. Momose, M. Murase, 

T. Ohta, S. Fukumoto 

124. Preparation of bioactive peptides derived 

from wheat bran responsible for angiotensin 

I converting enzyme (ACE I) inhibition 

and nitric oxide (NO) produced 

acceleration and effects on hypertension. 

Y. Sauchi, M. Sakashita, M. Suga, 

M. Ochiai, T. Kon, K. Yamaguchi, 

Y. Ogihara 

125. Head space solid phase microextraction 

(HS-SPME) gas chromatography 

mass spectroscopy (GC/MS) analysis of 

volatile components of garlic. 

J. D. Williams, J. G. Clemente 

126. Flavor characteristics of Australian Botrytis 

Semillon. C. E. Hofmann, 

A. C. Clark, L. M. Schmitdke 

127. Enzymatic modification of wheat protein 

for the formation of pyrazines and 

other heterocyclic compounds through 

Maillard reaction. S. Lee,Y.Kim 

128. Determination of the levels of polycyclic 

aromatic hydrocarbons (PAH) in US and 

Swedish smokeless tobacco products. 

K. G. McAdam, A. Faizi, H. Kimpton, 

B. Rodu 

129. Cytotoxic terpenoids from Calocedrus 

macrolepis var. formosana. Y. Kuo 

130. Investigation on the flavor enhancing 

components in glutathione-Maillard reaction 

products using metabolomic approach. 

S. Lee, G. Kwon, K. Kim, Y. Kim 

131. Effect of hot-water extraction on noncarbohydrate 

components of hardwoods. 

M. J. Goundalkar, B. Bujanovic, 

T. E. Amidon 

132. Aroma profile comparisons of “Strawberry 

Festival” and “Florida Radiance” 

strawberries by GC-Olfactometry, odor 

activity values, and sensory evaluation. 

X. Du, A. Plotto, E. Baldwin, R. Rouseff 

133. Effect of short passage time on the polishing 

and storage temperature of milled 

and cooked rice quality. Y. Oh, W. Jeong, 

H. Jeong 

134. Metabolite profiling by gas chromatography-mass 

spectrometry (GC-MS) and 

principal component analysis (PCA) of 

Schizandra chinensis Baillon (omija fruits) 

according to their origins. H. Lee,I.Cho, 

Y. Kim 

135. Comparison of the volatile composition 

of pasteurized and unpasteurized makgeolli, 

a traditional Korean rice wine. 

H. Park,Y.Kim 

136. Determination and comparison of Saponins 

in Black Panax ginseng C.A. 

Mayer. S. H. Cho, O. Choi, C. Sung 

137. Insecticidal and antioxidant activities of 

abietane diterpeniods from Hyptis verticillata 

Jacq. R. B. Porter,D.A.Biggs, 

L. A. Williams 

138. Scopolamine-induced memory impairment 

in mice and antioxidant activities of 

aqueous antler extract. O. Choi,C.Sung, 

S. H. Cho 

139. Curcuminoids promote neuronal differentiation 

of PC12 cells through PKC-dependent 

phosphorylation of CREB protein. 

K. Liao, K. Lee, M. Wu, C. Ho, 

J. Yen 

140. Phytochemical composition and antifungal 

activity of extracts from cranberry 

cultivars (Vaccinium macrocarpon Ait.) 

that vary in resistance to plant pathogens. 

M. C. Nunnelley, J. L. Carpenter, 

C. C. Neto, F. L. Caruso 

141. Semi-continuous method for recovering 

anthocyanins and procyanidins from 

White Zinfandel (V. Vinifera) red grape 

pomace using subcritical water. 

J. Monrad, L. R. Howard, K. Srinivas, 

J. W. King, A. Mauromoustakos 

142. In vitro estimation of antioxidant activities 

in red and white cranberry extracts. 

A. Z. Tulio, Jr., I. Edirisinghe, C. Chang, 

J. E. Jablonski, R. K. Tadapaneni, 

B. Burton-Freeman, L. S. Jackson 

143. Phenolic content, antioxidant activity, 

and anti-proliferative property of coldpressed 

grape seed flours. L. A. Binzer, 

R. L. Brinsko, J. J. Cha, Z. Chen, 

S. E. Green, K. E. Grob, J. Hao, 

C. M. Hitz, L. J. Li, S. N. Swamy, 

M. Y. Wolf, M. Xu, M. C. Yanik 

144. Chemical composition and antioxidant 

properties of cold-pressed grape seed 

oils. L. A. Binzer, R. L. Brinsko, 

J. J. Cha, Z. Chen, S. E. Green, 

K. E. Grob, J. Hao, C. M. Hitz, L. J. Li, 

S. N. Swamy, M. Y. Wolf, M. Xu, 

M. C. Yanik 

145. Improved stability of blueberry juice anthocyanins 

by acidification and refrigeration. 

L. R. Howard, C. Brownmiller, 

R. L. Prior 

146. Salvia fruticosa mediates protection 

against H 2O 2-induced DNA damage in 

HEK293 cells. S. A. Bani hani 

147. Phytochemicals in winged sumac (Rhus 

copallinum) fruit. H. Ma,L.Li, 

N. P. Seeram 

148. Phytochemicals in Fraser’s Marsh St. 

John’s Wort (Triadenum fraseri). L. Li, 

D. Woolridge, J. Jennings, R. Saing, 

G. E. Henry, N. P. Seeram 

149. Phytochemicals in blueberry (Vaccinium 

corymbosum) stems and roots. 

A. Cirello, L. Li, L. R. Howard, 

N. P. Seeram 

150. Compounds from Eugenia jambolana 

(Jamun) berries beyond anthocyanins. 

R. Omar, L. Li, A. Cirello, N. P. Seeram 

151. Composition of flavonoids and other 

phenolics in foliage from cranberry cultivars 

(Vaccinium macrocarpon) that vary in 

susceptibility to cranberry tipworm and 

other pests. E. Yiantsidis,C.Dao, 

A. Averill, S. Tewari, F. Caruso, J. Hicks, 

K. Colson, K. B. Killday, C. Neto 

152. Pterocarpans and flavonoids from Derris 

laxiflora Benth. S. Chien 

153. Biocatalytically polymerized flavonoids 

with enhanced antioxidant activity. 

K. Daita, S. Tripathy, S. Nagarajan, 

R. Nagarajan, F. F. Bruno, L. Samuelson, 

J. Kumar 

154. Purification of homohexameric cruciferin 

from seeds of mutant Arabidopsis 

thaliana. T. Sanjeewa, D. D. Hegedus, 

X. Qiu, T. C. McIntosh, 

J. P. Wanasundara 

155. Methods of identification of adulterated 

food products based on carbohydrate 

profiles by UPLC. C. Hudalla, C. Boissel, 

P. Iraneta, D. Walsh, K. Wyndham 

156. Analysis of hormones and their conjugates 

in animal waste using QuEChERS 

method coupled with liquid chromatography-electrospray-tandem 

mass spectrometry. 

J. Kwon, K. L. Armbrust, K. Xia 

157. Photolysis of pesticides on alternate 

matrices compared to soil. 

M. C. McGuire, S. B. Hibler, L. R. Marks 

158. Fingerprint-based classification of a 

commercial odor database. A. B. Yongye, 

T. L. Peppard, J. L. Medina-Franco, 

K. Martinez-Mayorga 

159. Overview of sampling and analytical 

methodologies in the Food Safety and Inspection 

Service’s National Residue Program. 

D. Pagan-Rodriguez 

160. Increased air pressure substantially reduces 

the time required to remove raffinose-series 

oligosaccharides from legumes. 

R. Rakijian, J. L. Payne, 

S. Manzano, M. A. Payne 

161. Vitis labrusca L.: Antioxidant and antiproliferative 

properties of its components. 

M. Gallicchio, G. D’Angelo, S. Pacifico, 

A. Fiorentino, B. D’Abrosca, P. Monaco 

162. What can we learn from massive docking? 

K. T. Nguyen,M.M.Mysinger, 

B. K. Shoichet, J. J. Irwin 

163. Lanostane triterpenoids and a degraded 

steroid from Antrodia camphorata. 

H. Huang,Y.Kuo 

164. New mechanism for the generation of 

acyl radical in cigarette smoke. N. Hu, 

S. A. Green 

165. Determination the impact odorants of 

‘Hutai’ icewine from Hu county (China) 

using headspace solid-phase microextraction. 

H. Wang, L. Zhang, Y. Liang 

166. Detecting and predicting adulteration in 

Chinese garlic oil by gas chromatography 

analysis and chemometrics. D. Bolliet 

167. Withdrawn 

168. Constituents of maple syrup residue, a 

waste/by-product of the maple syrup industry. 

O. Ashorobi, L. Li, D. Worthen, 

N. Seeram 

WEDNESDAY MORNING 

Section A 


Room 160A 





8:05 169. 1,1,6-Trimethyldihydronaphthalene: 

Effects of cluster light exposure timing 

and contribution to Riesling aroma. 

G. L. Sacks,T.E.Acree, 

J. E. Vanden Heuvel, M. T. Kwasniewski, 

L. Karoui 

8:30 170. Headspace solid-phase dynamic 

extraction (SPDE) and GC-MS for distinguishing 

a) styles of South African Chenin 

Blanc wines and b) types of pot-distilled 

brandies from regions around the world. 

V. A. Watts, I. Christ, J. Stadler, 

Z. Bellingan 

8:55 171. A little twist for wine aroma. 

M. C. Qian 


9:40 172. Fermentation and post-fermentation 

factors affecting accumulation and 

degradation of odour-active sulfur compounds 

during wine bottle storage. 

M. Ugliano, M. Kwiatkowski, 

P. A. Henshcke, E. J. Waters 

10:05 173. Impact of the oxgen exposure 

during bottling and oxygen barrier properties 

of different closures on wine quality 

during post-bottling. P. Lopes, 

M. A. Silva, M. Cabral, P. Darriet, 

P. Teissedre, D. Dubourdieu 

10:30 174. Assessing smoke taint in grapes 

and wine. K. L. Wilkinson, R. Ristic, 

K. Dungey, Y. Hayasaka 

10:55 175. Smoke taint aroma assessment 

in 2008 California grape harvest. 

H. Chong 







consent from ACS.

Section C 


Room 159 

Antioxidant Analysis: Challenges and 

Critical Issues 

J. Finley, Organizer 

L. Howard, D. Luthria, Organizers, 

Presiding 


8:05 176. Significance of extraction and 

spectral fingerprinting methodology for 

the assay of bioactive phytochemicals. 

D. Luthria, J. Harnly 

8:30 177. Stability for extraction and analysis 

of acylated anthocyanins. 

H. Matsufuji 

8:55 178. Determination of extractable and 

nonextractable food polyphenols. 

L. R. Howard, B. L. White 

9:20 179. Revising and redirecting the 

chemistry of antioxidant (antiradical) activity 

assays. K. M. Schaich 


10:00 180. Luminescent molecular and nano 

probes for quantifying reactive oxygen 

species and the scavenging activity of dietary 

antioxidants. D. Huang 

10:25 181. Dietary modulation of oxidative 

stress in humans: Methodology, physiologycal 

meaning and value of the non 

enzymatic antioxidant capacity (NEAC). 

M. Serafini 

10:50 182. Assays for scavenging capacities 

against hydroxyl and DPPH radicals. 

L. Yu 

11:15 183. Challenges and issues with the 

ORAC assay. R. L. Prior 

11:40 184. Main and modified CUPRAC 

methods of antioxidant characterization. 

R. Apak,M.Özyürek, B. Bektas¸ogˇlu, 

K. Güçlü 

Section B 


Room 161 



Disease Human Intervention Studies 

B. Patil, G. Jayaprakasha, N. P. Seeram, 

Organizers 

K. Chidambara Murthy, Organizer, 

Presiding 

C. Neto, J. Novotny, Presiding 


8:35 185. Cranberry phytochemicals: Potential 

benefits against disease and infection. 

C. C. Neto 

9:00 186. Queen Garnet plum, a new plum 

variety rich in antioxidant compounds: 

First results from a pilot study with 

healthy human subjects. M. Netzel, 

K. Fanning, G. Netzel, D. Zabaras, 

D. Russell, R. Stanley 

9:25 187. Anthocyanins: Disease preventing 

pigments with complex bioavailabilities. 

J. A. Novotny 

9:50 188. Food polyphenol consumption 

may reduce prevalence of hypertension in 

high cardiovascular risk population. 

R. M. Lamuela-Raventos, 

A. Medina-Remón, R. Estruch, 

C. Andres-Lacueva 


10:30 189. Oral consumption of cranberry 

juice inhibits cellular adhesion and biofilm 

formation of uropathogenic bacteria. 

Y. Tao, P. A. Pinzon, A. B. Howell, 

T. A. Camesano 

10:55 190. Effects of oral sea buckthorn 

(Hippophaë rhamnoides) oil on dry eye. 

P. S. Larmo,R.L.Järvinen, N. L. Setälä, 

B. Yang, M. H. Viitanen, J. R. Engblom, 

R. L. Tahvonen, H. P. Kallio 

11:20 191. Thylakoids promote satiety in 

healthy humans: Metabolic effects and 

mechanisms. C. Erlanson-Albertsson, 

P. Albertsson, R. Köhnke, M. Rayner, 

S. Emek, M. Landin-Olsson,, B. Weström, 

C. Montelius, K. Gustafsson, 

L. Svensson, I. Sjöholm 


WEDNESDAY AFTERNOON 

Section A 


Room 160A 





1:35 192. Evidence for demethylation of 

3-isobutyl-2-methoxypyrazine during 

maturation of bell pepper (Capsicum annum) 

and winegrapes (Vitis vinifera). 

I. Ryona, G. Sacks 

2:00 193. Free and potential aroma compounds 

and sensory profile in long-time 

grape skin macerated white wines. 

G. Versini, B. Fedrizzi, R. Ferrarini, 

F. Finato, E. Casarotti, G. Piubelli, 

M. Cipriani 

2:25 194. Assessing variability in the coopering 

process. T. S. Collins, S. E. Ebeler 


3:10 195. Bitter, twisted truth of the hop. 

P. L. Ting,D.Ryder 

3:35 196. On the flavor of Bourbon Whiskey: 

How the manufacturing process influences 

the concentrations of its key aroma 

molecules. P. H. Schieberle, M. Vocke 

4:00 197. Aroma characterization of Chinese 

liquor: Yanghe Daqu, Wuliangye, Jiannanchun 

and Maotai. M. C. Qian, W. Fan, 

Y. Xu 

4:25 198. Characteristic aroma compounds 

of Chinese rice wine by gas chromatography–olfactometry 

and quantitative 

analysis using headspace solid phase microextraction 

gas chromatography–mass 

spectrometry. W. Fan, Y. Xu 


Section B 


Room 161 


A. Mitchell, Organizer, Presiding 

N. Da Costa, Presiding 


1:35 199. Seed’s protein and oil content, 

fatty acid composition, and growing cycle 

length of a single genotype of chia (Salvia 

hispanica L.) as affected by environmental 

factors. R. Ayerza 

1:55 200. Extra virgin olive oil increases uncoupling 

protein 1 content in brown adipose 

tissue, and enhances noradrenaline 

and adrenaline secretions in rats. 

Y. Oi-Kano 

2:15 201. Inhibition of human NADPH oxidase 

by apocynin derived oligophenols. 

J. M. Mora Pale, S. Kwon, M. Weiwer, 

R. J. Linhardt, J. S. Dordick 

2:35 202. Antileishmanial, trypanocidal, antituberculosis 

and cytotoxic activities of 

targeted plant species from the Peruvian 

rain forest. Z. Jin, J. C. Aponte, V. A., 

M. Sauvain, R. Gilman, G. Hammond 


3:10 203. Phytochemical analysis and antioxidant 

efficacy of fruits produced in Italy. 

N. Tsafantakis, S. Pacifico, 

M. Scognamiglio, S. Piccolella, 

B. D’Abrosca, A. Fiorentino 

3:30 204. Transcriptional control of alkaloid 

biosynthesis by methyl jasmonate in Catharanthus 

roseus hairy root cultures. 

S. Goklany, R. H. Loring, J. Glick, 

C. W. Lee-Parsons 

3:50 205. Molecular cloning and characterization 

of a novel down-regulated TOM20 

gene associated with the onset of tapping 

panel dryness (TPD) syndrome from the 

inner bark tissues of rubber tree (Hevea 

brasiliensis Muell. Arg.) by mRNA differential 

display. V. Perumal 


Section C 


Room 159 

New Perspectives on Antioxidants 



1:35 206. Relating in vitro research on the 

antioxidant impact of crucifer components 

to dietary redox regulation. 

E. Jeffery 

2:05 207. Too much of a good thing: Risk of 

over-antioxidation. X. Lei 

2:35 208. Regulation of the iron storage protein 

ferritin by the antioxidant responsive 

element. K. J. Hintze 


3:20 209. Antioxidant adaptation and signaling 

in response to physical exercise. L. Ji 

3:50 210. Dietary antioxidants: From activating 

Nrf2 signaling to genomics in prevention 

of cancer. A. Kong 


THURSDAY MORNING 

Section A 


Room 160A 

Small Wonders: Peptides for Disease 

Control Cosponsored by BIOT 

K. Rajasekaran, Organizer, Presiding 


8:35 211. Application of small molecule microarrays 

in high-throughput screening of 

protein targets. M. Uttamchandani 

9:05 212. Plant antimicrobial peptides: Thionins 

as nature’s invention for weapons 

of mass protection. S. Oard, 

T. Chouljenko, N. Maiti, F. Enright 


9:50 213. Results of a double blind randomized, 

multi-center phase-II clinical trial of 

genopep, a topical cream in the treatment 

of burn wounds. J. M. Jaynes, 

V. Reddy, P. Ramesh 

10:20 214. Effect of transgenic cotton plants 

transformed with antimicrobial synthetic 

peptide D4E1 on cotton seedling disease, 

soil microbial diversity, and enzymatic activity. 

L. J. Odom, R. O. Ankumah, 

J. Jaynes, C. Bonsi, J. W. Cary, M. Egnin, 

D. Mortley, L. Ogden, K. Rajasekaran 

10:50 215. Transformation of antimicrobial 

peptides from frog skin into therapeutically 

valuable anti-infective agents. 

J. Conlon 


Section B 


Room 161 

Caffeine and Other Natural Product 

Stimulants 

E. Demejia, Organizer 

J. Weil, Presiding 


8:40 216. Caffeine: Health benefits and 

safety concerns. E. Gonzalez de Mejia 

9:00 217. On the circumstances which modify 

the action of caffeine: The scope of 

science since Runge’s discovery until 

nowadays. J. G. Weil 

9:20 218. Energy drinks: An assessment of 

their ingredient profile and functionality. 

M. Heckman, E. Gonzalez de Mejia 

9:40 219. Rapid determination of pungent 

compounds of ginger by a combination of 

chromatography and vanilloid receptor 

(VR1) assay. Y. Yang, S. Liu, N. Mannava 

10:00 220. Natural components in yerba 

mate tea and coffee byproducts enhance 

antioxidant capacity, inhibit lipid synthesis, 

and suppress body fat and lipogenic 

genes. E. Gonzalez de Mejia, 

M. Heckman 


Section C 


Room 159 

Antioxidants and Health 



8:35 221. Antioxidants in black rice bran. 

Z. Xu, S. Jang, X. Yue 

9:05 222. Soybean antioxidant properties 

affected by food processing and in vitro 

digestion. K. Zhou 

9:35 223. Health effects of natural antioxidants 

from the selected edible botanical 

materials. L. Yu 


10:20 224. Catechin/Epicatechin metabolism 

and excretion in rats fed different 

berries. R. Khanal, S. E. Wilkes, 

T. J. Rogers, L. R. Howard, R. L. Prior 

10:50 225. Antioxidant activity of lutein and 

its protective effects on ischemia-hypoxia 

injury in cultured rat cortical neurons. 

M. Wang, R. Tsao 

11:20 226. Influence of extraction methodology 

on the assay of antioxidant phenolic 

compounds. D. Luthria 


THURSDAY AFTERNOON 

Section A 


Room 160A 


Control Cosponsored by BIOT 

K. Rajasekaran, Organizer, Presiding 


1:35 227. NMR structural insights on the 

function of antimicrobial peptides. 

A. Ramamoorthy 

2:05 228. Synthetic antimicrobial peptides 

as novel pesticides for plant disease control. 

E. Montesinos 

2:35 229. Antimicrobial and immunomodulatory 

peptides for combating infections. 

R. E. Hancock 


3:20 230. Transgenic expression of lytic 

peptides for elimination of mycotoxins in 

food and feed crops. K. Rajasekaran, 

J. W. Cary, J. M. Jaynes, D. Bhatnagar, 

T. E. Cleveland 

3:50 231. In vitro effects of two newly designed 

lytic peptides LHRH conjugates 

on prostate cancer. S. M. Sharp 






AGFD 

TECH–7

AGFD/ANYL TECHNICAL PROGRAM 

Section B 


Room 161 



N. Da Costa, Presiding 


1:35 232. Activation energy measurements 

of cheese. M. H. Tunick 

2:00 233. Impact of electrostatic deposition 

of anionic biopolymers on the stability of 

lactoferrin-coated oil droplets. T. Tokle, 

U. Lesmes, J. McClements 

2:25 234. Comparison of molecular and aggregation 

properties of soy proteins 

treated with various endopeptidases. 

M. J. Cho, D. Ryan, P. Ghosh 


3:05 235. Development of a sodium-free salt 

for food applications. D. L. Holliday, 

A. Prudente, J. W. Finley 

3:30 236. Foliage extracts of conifers as potential 

sources for isolation of shikimic 

and quinic acids, precursors to Tamiflu ® . 

L. Gedivinne Vithanage,B.J.Cole, 

R. C. Fort Jr., J. M. Genco, A. Shaffer, 

M. Rowe 

3:55 237. Efficacy of Ichthyophthirius vaccines 

in channel catfish against white 

spot disease. D. Xu, P. Klesius, 

C. Shoemaker 


Section C 


Room 159 

Antioxidants and Health 



1:35 238. Pterostilbene reduces colon tumor 

multiplicity and inflammatory markers in 

animal models of colon cancer. 

A. M. Rimando, S. Paul, N. Suh 

2:05 239. Multifunctional branched gold 

nanoparticle for prevention of cancer 

cells. P. C. Ray 

2:35 240. Chitosan grafted with phenolics to 

promote antioxidant activities. 

S. B. Schreiber, S. Zivanovic 


3:20 241. Bioassay-guided isolation and 

EPR-assisted antioxidant evaluation of 

two valuable compounds from mango 

peels. L. Jiang,S.He,Y.Pan 

3:50 242. Urinary excretion of phenolic acids 

in rats fed cranberry, blueberry, or 

black raspberry. R. Khanal, S. E. Wilkes, 

T. J. Rogers, L. R. Howard, R. L. Prior 


ANYL 

Division of Analytical 

Chemistry 

S. Lunte, Program Chair 


Section A 


Room 107C 

Pharmaceutical Analysis Financially 

supported by Subdivision of Chromatography 

and Separations Chemistry 

8–TECH 

S. Lunte, Organizer, Presiding 


8:15 1. Quantitative analysis of API crystallization 

by second harmonic generation 

microscopy. D. Wanapun, U. S. Kestur, 

L. S. Taylor, G. J. Simpson 

8:35 2. GPC-IR to characterize macromolecular 

excipients in pharmaceutical formulations. 

M. Zhou, W. Carson, 

S. Bourne, T. Kearney 

8:55 3. New fast online-SPE-LC-ESI- 

MS/MS approach for pharmacokinetic 

studies. N. H. Schebb, B. Inceoglu, 

B. D. Hammock 

9:15 4. Paracetamol crystal facets revisited: 

What does X-ray Photoelectron Spectroscopy 

(XPS) really reveal? 

S. L. Schroeder, H. M. Zaki, 

J. S. Stevens 

9:35 5. Characterization of polymeric excipients 

in drug formulations using advanced 

detection size-exclusion chromatography. 

J. Sanchez 

9:55 6. Electrospray ionization: Ion mobility 

spectrometer (ESI-IMS) for cleaning validation 

(CV) in pharmaceutical manufacturing. 

A. J. Midey, C. A. Krueger, C. Wu 


10:25 7. SPR sensing of drug molecules using 

a smart polymer film. R. B. Pernites, 

R. Ponnapati, M. Felipe, R. Advincula 

10:45 8. Protease analysis and the search 

for “protease-free” blocking proteins. 

J. Fishpaugh, K. Rupprecht 

11:05 9. Evaluation of the hemocompatibility 

of implantable device surfaces. 

S. A. Nielsen, K. M. Balss, 

C. A. Maryanoff 

11:25 10. Fabrication of uniform DNA-conjugated 

hydrogel microparticles via particle 

replication in nonwetting templates 

(PRINT) for facile nucleic acid hybridization 

assays. C. L. Lewis, C. Choi, Y. Lin, 

C. Lee, H. Yi 

11:45 11. High-throughput natural products 

chemistry: Is it possible? 

M. O’Neil-Johnson, G. Eldridge, 

J. Norcross, C. Milling, T. Peck 

Section B 


Room 108 

New Frontiers in Single Molecule Detection 

and Single Cell Analysis Cosponsored by 

BIOL ‡ and PHYS ‡ 

X. Xu, Organizer, Presiding 

8:30 12. Single molecule imaging of biomolecules 

in nanopores. E. S. Yeung,C.Ma 

9:05 13. Single molecule studies of the synaptic 

vesicle. D. T. Chiu 

9:40 14. Molecules and methods for superresolution 

imaging in living cells. 

W. Moerner 


10:25 15. Wide-field LSPR imaging: Single 

nanoparticle spectroscopy, diffusional 

dynamics, and structural characterization. 

R. P. Van Duyne, J. M. Bingham, 

A. Henry, E. Ringe 

11:00 16. Design of photostable single molecule 

nanoparticle biosensors for real 

time probing single living cells. X. Xu, 

T. Huang, L. Browning, P. Nallathamby 

11:35 17. Life at the single molecule level. 

S. Xie 

Sustaining Water Quality 

Status and Trends Sponsored by ENVR, 

Cosponsored by ANYL 


Section A 


Room 107C 

Spectroscopic Methods of Analysis 

S. Lunte, Organizer 

J. Anker, Organizer, Presiding 

1:30 18. Gold-coated aluminum oxide membranes 

(Au–AOM) as substrates for a new 

flow-through immunoassay with SERS 

readout. L. M. Siperko 

1:50 19. In situ polarized Raman spectroscopy 

and atomic force microscopy study 

of point defects, growth direction and 

mechanical properties in individual ZnO 

nanobelts. M. Lucas, Z. Wang, E. Riedo 

2:10 20. Selective detection from multianalyte 

mixtures using surface-enhanced Raman 

scattering. P. Pinkhasova, 

S. A. Sukhishvili, H. Du 

2:30 21. Effect of oxidation of silver on 

SERS enhancement. Y. Han, 

R. Lupitskyy, H. Du, S. Sukhishvili 

2:50 22. Time-resolved ATR spectroscopy 

on a planar waveguide for kinetic studies 

of supramolecular thin films. 

A. M. Simon, N. Marucci, S. S. Saavedra 

3:10 23. Large field of view LSPR imaging: 

Demonstrations of multiplexed, ensemble 

measurements. J. A. Ruemmele, 

P. W. Hall, R. P. Van Duyne 


3:40 24. Magnetically modulated fluorescent 

probes for detection in turbid media. 

Z. Yang, K. Nguyen, J. N. Anker 

4:00 25. Nanoscale infrared spectroscopic 

analysis of ABS-polycarbonate plastic 

blends. M. Lo, J. Ye, K. Kjoller, C. Prater 

4:20 26. Confocal Raman microscopy of 

transportan in live melanoma cells. J. Ye, 

A. C. Terentis 

4:40 27. In-situ electron energy-loss spectroscopy 

study of Co-based Fischer- 

Tropsch catalysts. Y. Zhao, T. Feltes, 

J. Regalbuto, R. Meyer, R. Klie 

5:00 28. Novel selective mercury sensors 

based on 7-nitrobenzo-2-oxa-1,3- diazolyl 

subunit(s): Efficient and simple colorimetric 

and fluorometric chemosensors. 

N. Wanichacheva, 

M. Siriprumpoonthum, A. Kamkaew, 

R. Sangsuwan, R. Teerasarun-yanon, 

K. Grudpan 

Section B 


Room 108 


and Single Cell Analysis Cosponsored by 

BIOL ‡ and PHYS ‡ 

X. Xu, Organizer, Presiding 

1:30 29. Revealing bunching effects in single-molecule 

enzymatic conformational 

dynamics. H. Lu 

2:05 30. Droplet tracking for single molecule 

analysis. L. S. Goldner 

2:40 31. Single molecule studies of electronic 

energy transfer in semiconductor 

quantum dot clusters: Applications in solar 

energy and biological imaging. 

A. Van Orden, D. P. Shepherd, 

K. J. Whitcomb, P. M. Goodwin, 

M. P. Gelfand 


3:25 32. Single-molecule studies of protein - 

nucleic acid interactions in systems involved 

in gene-expression. X. Zhuang 

4:00 33. Optical microwell arrays for capturing 

and analyzing single cells. D. R. Walt, 

A. Phillips, R. Dragoey Whitaker 

4:35 34. Detection of single-molecule H2O2 signalling from epidermal growth factor 

receptor using fluorescent single-walled 

carbon nanotubes. J. Zhang 


Monitoring Various Contaminants 

Sponsored by ENVR, Cosponsored by ANYL 


Section B 


Room 108 

Innovations in Chromatography Financially 



G. Roman, Organizer, Presiding 

8:00 35. Analytical column characterization 

for differential magnetic catch and release 

separation of magnetic nanoparticles. 

J. S. Beveridge, M. E. Williams 

8:20 36. Enhancing the sensitivity and specificity 

of HPLC analysis through post-column 

chemical and photochemical derivatization. 

H. Joshua 

8:40 37. Development of an ion-pairing reversed-phase 

liquid chromatography tandem 

mass spectrometry method for underivatized 

amino acid analyses of 

pediatric plasma and urine specimens. 

A. S. Ptolemy, Y. Li, S. Hossain, 

P. Karlsson, A. Shkreta, M. Kellogg 

9:00 38. New research in hybrid organic/inorganic 

chromatographic packing materials. 

K. D. Wyndham, P. C. Iraneta, 

D. P. Walsh, J. T. Cook, K. H. Glose, 

B. A. Alden, C. A. Boissel, J. E. Turner, 

C. Hudalla, S. McCall, T. H. Walter 

9:20 39. Separations of biomolecules by 

UPLC-SEC. E. S. Bouvier, S. Serpa, 

N. Brady, K. Wyndham, N. Lawrence, 

P. Hong, U. Neue, T. Walter 

9:40 40. Ultrafast separation of low molecular 

weight analytes on polymeric capillary 

columns. M. R. Buchmeiser, S. Lubbad 


10:15 41. Crown ethers as class I modifiers 

in micellar electrokinetic chromatography. 

R. Burks, D. Hage 

10:35 42. Characterization of solvatochromic 

shifts of dyes for use in micellar studies 

via linear solvation energy relationships 

(LSERs). M. F. Vitha, 

R. T. Johnson, R. M. Barkley, 

S. Nkrumah-Agyeefi, H. R. O’Brien, 

H. M. Liedl, C. E. Hurley, A. Marquez, 

C. Chavez, Z. Sarmiento 

10:55 43. Drainage experiments in micromodels 

of porous media: Influence of the 

wetting properties. C. Cottin, 

H. Bodiguel, A. Colin 

11:15 44. Duplicating the retention of cationic 

analytes obtained with ammonium 

formate mobile phases when switching to 

UV transparent mobile phase additives in 

RP-LC. E. Loeser, S. Babiak 

11:35 45. Analysis of inorganic As(III) in water 

at the low �gL -1 range by a colorimetric-solid 

phase extraction (C-SPE) 

method. L. M. Siperko, M. M. Bradley, 

M. D. Porter 

Section A 


Room 107C 

ACS Award in Analytical Chemistry: 

Symposium in Honor of Richard Van Duyne 

K. Willets, Organizer, Presiding 


8:30 46. Award Address (ACS Award in 

Analytical Chemistry Sponsored by 

Battelle Memorial Institute). Single molecule 

and single particle SERS. 

R. P. Van Duyne 

9:15 47. Fabrication of plasmon-coupled 

gratings with nanowires, nanolines and 

nanoparticles for bioaffinity sensing. 

R. M. Corn, A. R. Halpern, D. Kim, 

Y. Chen 

9:45 48. Many-electron transfers of nanoparticles 

at electrodes. R. W. Murray 


10:30 49. Theories of the SERS effect: Top 

down meets bottom up. G. C. Schatz 

11:00 50. Sub-diffraction limited imaging of 

plasmonic hot spots. K. A. Willets, 

I. Kaplan-Ashiri, K. Koen, E. Titus, 

A. Campos 

11:30 51. Plasmonic and confinement effects 

of hollow plasmonic nanoparticles. 

M. El-Sayed 






consent from ACS.


the Interface 







Remediation of Various Contaminants 

Sponsored by ENVR, Cosponsored by ANYL 


Section A 


Room 107C 

Analytical Awards Symposium Financially 





1:45 52. High-performance microfluidic 

chemical and biochemical analysis systems. 

R. A. Mathies 

2:25 53. Chemical applications of synchrotron 

radiation spectroscopy. 

S. P. Cramer 

3:05 54. Electrochemistry and nano science. 

C. R. Martin 


4:00 55. Service and nanoparticles. 

R. W. Murray 

4:40 56. What do you say when they ask 

“should I go into college teaching”? 

L. W. Potts 

Section B 


Room 108 

Biomedical Applications of Mass 

Spectrometry 


M. E. McComb, Organizer, Presiding 

1:30 57. Measuring in vivo glycation of a human 

IgG2 by mass spectrometry. 

Y. D. Liu, A. Goetze, G. C. Flynn 

1:50 58. Study of highly selective thiol derivatization 

using selenium reagents by 

mass spectrometry. K. Xu, Y. Zhang, 

B. Tang, J. Laskin, P. J. Roach, H. Chen 

2:10 59. Develop new mass spectrometry 

method to determine protein phosphorylation 

stoichiometry in large scale. R. Wu, 

N. Dephoure, w. Haas, S. Gygi 

2:30 60. Analysis of 1-deoxy-sphinginolipids 

using liquid chromatography coupled to 

electrospray ionization tandem mass 

spectrometry. H. Park, M. C. Sullards, 

A. H. Merrill, C. E. Costello 

2:50 61. Characterization of terpyridinebased 

metallomacrocycles using ion mobility 

mass spectrometry. X. Li,Y.Chan, 

G. Newkome, C. Wesdemiotis 


3:25 62. Potential clinical applications of 

top-down mass spectrometry: Transthyretin. 

R. Theberge, M. E. McComb, 

N. Leymarie, C. Lin, C. E. Costello 

3:45 63. Focused ion beam fabrication of 

solidified ferritin into nanoscale volumes 

for compositional analysis using time-offlight 

mass spectrometry methods. 

M. E. Greene, T. F. Kelly, D. J. Larson, 

T. J. Prosa 

4:05 64. Biomarkers and cardiovascular disease: 

Label-free MS and PTM characterization. 

M. E. McComb, D. H. Perlman, 

D. A. Siwik, V. N. Bhatia, R. A. Cohen, 

W. Colucci, C. A. Costello 

4:25 65. Method development for investigation 

of polar lipids in biological samples 

by reversed phase liquid chromatography 

coupled to mass spectrometry. Y. Zhou, 

J. Ollesch, H. Wille, D. S. Newburg, 

C. E. Costello 

4:45 66. Solid-phase thermodynamic interpretation 

of ion desorption in matrix-assisted 

laser desorption/ionization. 

Y. H. Lai, C. C. Wang, S. H. Lin, 

Y. S. Wang, Y. T. Lee 


the Interface 





PRES 


Analytical Chemistry Sponsored by CHED, 

Cosponsored by ANYL and SOCED 



Hall C 

Sci-Mix 


8:00–10:00 

219, 220, 221, 222, 223, 224, 225, 226, 227, 

228, 229, 230, 231, 232, 233, 234, 235, 

236, 237, 238, 239, 240, 241, 242, 243, 

244. See subsequent listings. 


Section A 


Room 107C 

Frank H. Field and Joe L. Franklin Award for 

Outstanding Achievement in Mass 

Spectrometry: Symposium in Honor of 

Catherine Costello Cosponsored by WCC ‡ 


J. Zaia, Presiding 


8:35 67. Award Address (Frank H. Field 

and Joe L. Franklin Award for Outstanding 

Achievement in Mass Spectrometry 

Sponsored by Waters Corporation). Mass 

spectrometry: From fundamentals to the 

clinic. C. E. Costello 

9:10 68. History of MALDI mass spectrometry: 

The Muenster-Boston connection. 

F. Hillenkamp 

9:45 69. Isotopes, isobars, and isomers: 

Problems and opportunities for mass 

analysis of biomolecules. A. G. Marshall, 

M. R. Emmett, C. L. Hendrickson, 

G. T. Blakney 


10:30 70. Middle-down peptide analysis using 

an LTQ Orbitrap and ProSightPC 2.0. 

C. Fenselau 

11:05 71. Investigations into glycosaminoglycan 

detection and isomeric differentiation 

in human serum. J. A. Leary, 

W. W. Wei 

11:40 72. Environmental forensics using 

mass spectrometry. R. A. Hites 

Section B 


Room 108 

ACS Award in Chromatography: 

Symposium in Honor of Udo Brinkman 

Art of Separation: Hyphenation and 

Application Financially supported by 

Subdivision of Chromatography and 

Separations Chemistry 

G. De Jong, Organizer, Presiding 


8:30 73. Microchip electrophoresis as a tool 

for in vivo and in vitro monitoring of biological 

events. S. M. Lunte 

9:10 74. Hyphenation: All tied up beautifully. 

P. Schoenmakers 

9:50 75. Considerations on off- and on-line 

comprehensive fluid chromatography. 

P. Sandra 


10:50 76. Capillary electrophoresis – mass 

spectrometry: Art of separation and hyphenation. 

G. J. de Jong 


Chromatography Sponsored by 

SUPELCO, Inc.). Art of separation: Comprehensive 

2D gas chromatography. 

U. A. Brinkman 

Oligonucleotide Therapeutics Sponsored by 

CARB, Cosponsored by ANYL, BIOL, MEDI, 

and ORGN 


Section A 


Room 107C 




Catherine Costello Cosponsored by WCC 


J. Zaia, Presiding 

1:30 78. Advances in laser desorption timeof-flight 

mass spectrometry for biological 

applications. M. L. Vestal 

2:05 79. Ambient electrospray-assisted laser 

desorption Ionization (ELDI) for mass 

spectrometry characterization of proteins 

and glycoproteins. I. X. Peng, 

M. W. Little, R. R. Ogorzalek Loo, 

E. Margalith, J. A. Loo 

2:40 80. Monitoring DNA damage at the 

trace level by LC-MS: Challenges and implications. 

P. Vouros, J. Glick, H. Zarbl, 

Y. Zhang 


3:25 81. Advances in lipid mass spectrometric 

analysis: Biochemical pathways of 

arachidonic acid remodeling. 

R. C. Murphy 

4:00 82. Identification and new site assignments 

for protein O-GlcNAc by electron 

transfer dissociation (ETD) mass spectrometry. 

A. Burlingame, A. Ioanoviciu, 

A. Thalhammer, R. Schoepfer 

4:35 83. Progress toward a biomarker discovery-to-development 

pipeline in clinical 

proteomics. S. A. Carr 

Section B 


Room 108 

Microfluidics and Lab on a Chip Clinical and 

Diagnostic Applications of Labs on a Chip 

Methodologies Financially supported by 

Subdivision of Chromatography and 

Separations Chemistry 

G. Roman, Organizer, Presiding 

1:30 84. Resources and funding opportunities 

from the National Cancer Institute to 

support the development of your innovative 

analytical technology. M. D. Lim, 

C. C. Compton 

1:50 85. Development of fiber based microfluidic 

devices. F. Vatansever, 

R. Burtovyy, B. Zdyrko, T. Andrukh, 

S. Minko, K. G. Kornev, I. Luzinov 

2:10 86. Multidimensional analysis of the 

frequencies, dynamics, and rates of cytokine 

secretion from single cells by quantitative 

microengraving. Q. Han, 

E. Bradshaw, B. Nilsson, D. Hafler, 

J. Love 

2:30 87. Fluidic “Timers” for paper-based 

microfluidic devices. S. T. Phillips 

2:50 88. Microfluidic device for evaluation of 

gap junctional intercellular communication 

between single cells. N. Ye, 

C. Bathy, S. Hua 

3:10 89. Print-and-Peel microfluidic devices 

for space-domain lifetime measurements. 

V. Nunez, B. Millare, S. Shin, 

S. Upadhyayula, S. Gupta, V. I. Vullev 


3:45 90. Observation of shear-induced volume 

decrease in renal-epithelial cells using 

microfluidic cell volume sensor. 

J. Heo,S.z.Hua 

4:05 91. Rapid detection and quantitation of 

Botulinum Neurotoxin/A presence and 

enzymatic activity using a portable diagnostic 

platform. C. Koh, G. J. Sommer, 

B. Singh, A. K. Singh, A. V. Hatch 

4:25 92. Integrated microfluidic SAW sensor 

design for vapor sensing. S. Liu,H.Sun 

4:45 93. Spatially resolved functionalization 

of monolithic chips for on-line digestion 

and separation of analytes. 

M. R. Buchmeiser, C. Elsner, C. Ernst 

5:05 94. Capillary electrophoresis of segmented 

flow using a flow gate injector. 

G. Roman 



and ORGN 

Recent Advances in Ion Mobility for 

Analysis and Characterization of 

Macromolecules 

Biological Assemblies Sponsored by PHYS, 


TUESDAY EVENING 


Hall C 



7:00–9:00 

95. Multiwalled carbon nanotube (MWCNT) 

modified with Os(bipyridine) 2Cl]-co-ethylamine 

(POs-EA) for analysis of acetaminophen 

and ascorbic acid. A. Mugweru, 

P. Trihn 

96. Application of optical activity analysis on 

the differentitation of the origin of methamphetamine 

seizures in Taiwan. 

S. Chyueh,Y.Liu,C.Cheng,S.Hu 

97. Capillary electrophoretic analysis of 

postsynaptic density proteins. 

J. A. Stinson, R. Gilpin 

98. Characterizing molecular conjugation 

and aggregation of nanoscale particles 

using complementary physical measurement 

methods. D. Tsai, T. Cho, 

F. W. DelRio, R. I. MacCuspie, 

M. R. Zachariah, V. A. Hackley 

99. Chemometric optimization of a newly 

adopted SIA method for the assay of Ketoconazole 

in drug formulations. 

H. D. Dafalla 

100. Quantitation of imidazole by hydrophilic 

interaction liquid chromatography. 

B. Vemulapalli, J. Wang, S. Bilbulian, 

Z. Wei, P. Cash 

101. Very strong redox-dependent hydrogen 

bonding between a bis-dimethylaminophenylurea 

and a cyclic diamide. 

K. Kangas, J. E. Woods, A. L. Cooksy, 

D. K. Smith 

102. Capillary chromatography based on 

tube radial distribution of water-acetonitrile-ethyl 

acetate mixture carrier solvents 

under laminar flow conditions. N. Jinno, 

M. Hashimoto, K. Tsukagoshi 

103. Low-cost fluorimetric determination of 

radicals based on fluorogenic dimerization 

of the natural phenol sesamol. 

Y. Makino, S. Uchiyama,K.Ohno 

104. Ru(bpy) 2dppz 2� /DNA bilayer-modified 

glassy carbon electrode as a novel electrochemical 

biosensor for formaldehyde. 

W. PU,Q.Ding,J.Zhang 

105. General strategy in conducting biorelevant 

dissolution for basic compounds in 

supportive of early-phase formulation development. 

M. H. Wang,Y.Mao, 

W. Wasylaschuk, F. Kesisoglou, 

J. Broyles, J. Kuiper, D. Thompson, 

A. Mitra, M. McQuade, A. Lalloo 

106. Determination of FBP disulfide bonds 

by mass spectrometry. R. L. Campbell, 

C. W. Hutchins, J. R. Fishpaugh, 

K. R. Rupprecht, C. S. Ramsay 





ANYL 

TECH–9

ANYL TECHNICAL PROGRAM 

107. Near infrared dye indocyanine green 

doped silica nanoparticles for biological 

imaging. B. Quan, Y. Kim, K. Kang, 

D. Chung 

108. Colloidal dogbone shaped gold nanoparticles 

as surface enhanced Raman 

spectroscopy (SERS) substrates for detection 

of thiram. B. Saute, R. Narayanan 

109. Facile formula weight analysis by diffusion-ordered 

NMR spectroscopy in physically 

separated diffusion systems. W. Li, 

G. Kagan, R. Hopson, P. Williard 

110. Study and characterization of crystalline 

hydrate and polymorph forms of a reverse 

transcriptase inhibitor by solid state 

NMR spectroscopy. N. C. Gonnella, 

S. Campbell, J. A. Smoliga, 

D. L. Norwood, C. A. Busacca, 

M. Cerreta, R. Varsolona 

111. Development and use of an innovative 

laboratory method for measuring arsenic 

in drinking water by gas chromatographymass 

spectrometry. J. DeFelice, 

S. H. Frisbie 

112. 1 H and 13 C NMR assignments and 

structural characterization of three isomeric 

o-fluoronaphthaldehydes and one 

o-fluorophenanthrene aldehyde. 

S. J. Campbell, N. Gonnella, C. Busacca, 

C. Senanayake 

113. Capillary electrophoresis analysis of 

peptides and proteins using a polyethyleneimine-coated 

capillary with UV and 

MS detection. R. G. Jayo, D. D. Chen 

114. New advances in the zeta potential 

measurements of proteins. 

J. T. Bodycomb, I. Herzberg, E. Farrell, 

B. Weiner 

115. Using uncertainty analysis to optimize 

GPC system performance. 

J. T. Bodycomb, I. Herzberg, 

J. McConville 

116. Systematic and phase appropriate approach 

to RP-HPLC method development 

for impurities analysis in active 

pharmaceutical ingredients via continuous 

manufacturing process understanding. 

S. Yang, Y. Li, T. Chen, A. Kord 

117. Thread as a matrix for biomedical assays. 

R. Dasgupta, M. Reches, 

G. M. Whitesides 

118. Quantifying and characterization of cellular 

internalization and localization of 

functionalized gold nanoparticles by oligomers. 

S. Hong, J. Park, S. Park, J. Yi 

119. Spectrometer design for highly efficient 

photon capture: Theoretical and practical 

limits. J. Hendrikse, A. R. Hajian, 

J. Meade, A. Cenko 

120. DNA-modified sieving polymers for 

metagenomic profiling in capillary electrophoresis. 

Y. Dong,L.B.McGown 

121. Novel detection method for total organic 

carbon (TOC) analysis for planetary 

science applications. S. T. Stroble, 

S. Kounaves 

122. Distinguishing among three luteolin glycoside 

isomers orientin/isoorientin/cynaroside 

by uUsing host-guest chemistry 

and LC-MS/MS. C. Ozer 

123. LC-MS/MS method development using 

host-guest chemistry to improve the detection 

limits for melamine and cyanuric 

acid. D. Ramanathan, R. Nardi 

124. Survey of the optical properties of the 

Equatorial Atlantic ocean waters. 

A. A. Andrew, N. V. Blough, 

R. Del Vecchio, A. Subramaniam 

125. On-line HPLC-FTIR and HPLC-DAD- 

UV-MS investigation of photodegradation. 

T. K. Chen 

126. Specific activity determination of I-124 

through chemical derivatization: The 

choice of iodination agent. 

A. I. Anzellotti,R.J.Ylimaki 

127. Spectroscopic characterization and absolute 

configuration determination of profenofos, 

an organophosphate compound. 

G. Proni, N. Capitali, A. Petrovic 

128. LC-IR hyphenated system for polymer 

characterization. M. Zhou, W. Carson, 

S. Bourne, T. Kearney 

10–TECH 


129. Impact of the pharmaceuticals caffeine, 

erythromycin, and fluoxetine as environmental 

water pollutants to mammals. 

R. Pinhancos, D. Ramanathan, 

S. Weber, M. Gill, J. Yarfi 

130. Trifluoroacetic acid extraction for 

MALDI-TOF analysis of dyes and pigments. 

L. J. Soltzberg, E. R. Haglin, 

N. K. Le, B. K. Nguyen, K. A. Yee, 

R. Newman 

131. HPLC vs. VHPLC design space assessment 

for impurity profile methods. 

H. B. Fyfe, Y. D. Shi, B. L. Kleintop 

132. Spectroscopic study of the kinetics and 

the mechanism of the interaction of humic 

substances with biomembranes. 

L. M. Ojwang,R.L.Cook 

133. Environmental toxicity of mussel larvae 

determined by 31P NMR. C. L. Poche, 

B. D. Dubansky, F. Galvez, R. L. Cook 

134. Integrated bioanalytical system for 

ADME profiling. K. S. Kieltyka, M. Vath, 

J. Maloney, J. Stewart, J. Herbst, 

C. Conway, H. Weller, W. Shou, J. Zhang 

135. Mass spectrometric identification and 

characterization of novel kinase inhibitors 

that preferentially target the auto-inhibited 

conformation of the protein. 

E. Volckova, S. Eathiraj, K. Nguyen, 

S. Khanapurkar, M. Hirschi, M. A. Ashwell 

136. Determination of residual level of methanesulfonyl 

hydrazide in equipment 

cleaning for API production. J. Li,J.Yao, 

C. Wen 

137. Probing the stability of non-derivatized 

methyl hydrazine using gas chromatography. 

T. Chasse, S. Lloyd 

138. Development of chemical cross-linking 

and top-down mass spectrometry methodologies 

for investigation of protein conformation, 

folding disorders and aggregation. 

X. Xu, G. Infusini, N. Leymarie, 

R. Théberge, D. Perlman, M. E. Mccomb, 


139. Generating narrowly distributed polymer 

using chromatographic fractionation 

and characterizing by light scattering and 

mass spectrometry. R. Xiang, X. Jia, 

F. Meng, H. Yuan, B. Mao 

140. Incorporating SPME and Spray Desorption 

Collection to evaluate the odor compounds 

associated with biodiesel feedstocks. 

J. G. Thompson, J. B. Miller, 

S. Bertman, A. K. Sarvestani, A. Venter 

141. Hexyl-substituted �-terthiophene carboxylic 

acids as fluorescence probes for 

pathogen detection. J. Hu, G. Jones 

142. InfoChemistry: Bioencrypted messages 

in arrays of E.coli by cytosolic expression 

of fluorescent proteins. M. A. Palacios, 

E. Benito-Peña, M. Manesse, 

A. D. Mazzeo, C. N. LaFratta, 

G. M. Whitesides, D. R. Walt 

143. Isobaric dipeptide tags for protein 

quantification using quadrupole ion trap. 

J. Seo, M. Suh, H. Lee, H. Yoon, S. Shin 

144. Implementation of near infrared (NIR) 

and microwave resonance (MR) sensors 

for moisture determination of powders 

and solid oral-dosage forms: A comparison 

vs. a Karl Fischer reference method. 

C. C. Corredor, D. Bu, D. Both 

145. New electrode for electrochemistry: AIS 

Snaptrode TM . D. B. Nuzzio 

146. Determination of fexofenadine in human 

plasma using ultra performance liquid 

chromatography. M. R. Amin, 

J. M. Amin, P. U. Patel, M. M. Patel, 

D. R. Patel 

147. Estimation of amiloride and furosemide 

in human plasma using high performance 

liquid chromatography. J. M. Amin, 

M. R. Amin, P. U. Patel, M. M. Patel, 

D. R. Patel 

148. Photophysical properties of thioglycosylaed 

chlorin, isobacteriochlorin, and 

bacteriochlorin conjugates. A. Aggarwal, 

S. Singh, C. M. Drain 

149. Effects of preparation conditions on the 

thermal phase transition of uncrosslinked 

N-isopropylacrylamide copolymers. 

J. R. Csoros, D. Silva, 

R. J. Sylvia, W. R. Seitz 

150. Multiplexed DNA detection using electrogenerated 

chemiluminescence from 

Ru (II) polypyridyl intercalators. 

E. Benito-Peña, M. A. Palacios, 

R. B. Hayman, C. N. LaFratta, 

G. Orellana, D. R. Walt 

151. Improving lab workflow and productivity 

by rapidly monitoring the organic synthesis 

reaction and separation with the 

atmospheric pressure solids analysis 

probe. P. J. Lee,B.P.Murphy, 

J. A. Burgess 

152. HT-NMR: A novel quality control tool for 

determining concentration and water 

content of pharmaceutical depository 

compounds. Y. Wang,S.Huang, 

S. Matson, M. Chartjee, M. Reily 

153. Isobaric N-acyl dipeptide tags for multiplexed 

protein quantification. M. Suh, 

H. Ham, J. Seo, H. Yoon, S. Shin 

154. Analysis of an anti-obesity OTC drug 

alli (orlistat) using a high-throughput reversed 

phase column. A. Chakrabarti, 

J. O’Donnell 

155. Development of a simple method for 

the simultaneous determination of a novel 

drug candidate and the biomarkers histamine, 

epinephrine, norepinephrine, and 

dopamine in rat plasma using LC-MS/ 

MS. S. A. Pasas-Farmer,S.X.Peng, 

S. Dax, J. Mannion 

156. Comparative study of protein precipitation 

plates for the removal of phospholipids 

in plasma samples. X. Zhang, 

P. Iraneta, D. P. Walsh, 

F. J. Marszalkowski 

157. Investigation of selectivity for a new 

family of bonded phases. J. E. Turner, 

P. Iraneta, B. A. Alden, C. A. Boissel, 

S. McCall, T. H. Walter, K. D. Wyndham, 

D. P. Walsh, J. T. Cook, K. H. Glose 

158. Polymorph determination by mid-IR 

spectroscopy for potent active pharmaceutical 

ingredients (API’s). 

R. R. Shankar 

159. Cyclic voltammetry of non-aqueous 

phenylenediamines in the presence of 

bases. L. E. Rojas-Sligh, L. A. Clare, 

D. K. Smith 

160. Instrumental neutron activation analysis 

of gold in mouse tissues. R. P. Watson, 

G. Kramer-Marek, J. Capala 

161. Profiling biomass pretreatment hydrolysates 

by ultra performance liquid chromatography 

- ion mobility - high resolution 

mass spectrometry (UPLC-IM- 

HRMS). S. Munisamy, C. Becker, 

C. K. Chambliss 

162. Real-time measurement of cell signaling: 

A quartz crystal microbalance with 

dissipation (QCM-D) study. M. P. Garcia, 

M. Li, J. Chen, J. Xi 

163. Fabrication of allyl-silica hybrid monoliths 

in 530�m i.d. columns for liquid 

chromatography. W. Guo,L.A.Colon 

164. Novel biosensor capable of monitoring 

glucose in human serum. H. Yoon, 

D. Yoon, H. Bae, J. Lee 

165. Rapid biosensor capable of sensing tumor 

marker. J. R. Rho, T. D. Rho, H. Bae, 

J. Lee 

166. Advanced biosensor for the rapid quantification 

and monitoring of alkaline phosphatase 

in milk. L. Park, Y. Kim, H. Bae, 

J. Lee 

167. Competitive 1,1�-oxalyldiimidazole 

chemiluminescent enzyme immunoassay 

for the quantification of melamine. 

J. Choi, Y. Kim, J. Lee 

168. Quantification of acetylcholine in human 

serum and plasma using 1,1�-oxalyldiimidazole 

chemiluminescence detection. 

K. Kang, H. Kang, H. Bae, J. Lee 

169. Zirconia and hafnia monoliths for the 

electrokinetic pumping of methanol. 

I. M. Ferrer-Lassala,L.A.Colon 

170. Novel antibody-based nanostructured 

biosensors for glutathione oxidativestress 

biomarker. Z. Reed, N. Trombley, 

R. Wallace, M. Stobiecka, M. Hepel 

171. Coupling of electrochemical reduction 

and iron release in recombinant horse Hchain 

ferritin mutants. C. M. Lundblad, 

B. L. Scott, D. C. Zapien 

172. Fabrication of pH and magnesium ion 

sensors for magnesium implant. X. Guo, 

A. Doepke, W. R. Heineman 

173. DNA intercalation biosensors for studies 

of interactions of herbicides and pesticides 

with DNA. K. Coopersmith, 

A. Prance, M. Stobiecka, M. Hepel 

174. Phosphorodiamidate morpholino oligomers 

in DNA diagnostics. Y. Liu, 

D. Irving, R. Levicky 

175. Migration of substances from nylon 12 

and its copolymers. J. Lee, S. Choi, 

H. Kim, W. Kim, S. Kim, Y. Kim, S. Kim 

176. Surface-initiated polymerization of 

mixed brushes via the combination of 

controlled radical polymerization techniques 

and electrochemistry. M. R. Tria, 

R. C. Advincula 

177. Quantitative detection of benzene in energy 

drinks using GCMS. J. E. Spencer, 

S. Bremmer 

178. Development of on-line ICPMS methodology 

to study the interaction of particulate 

matter with biological media. 

D. Bérubé, T. Yapici, X. Liao 

179. Electrochemistry can be selective: 

Tryptamine and barbituric acid in a single-shot. 

B. Ebbert, S. M. Mitrovski 

180. Identification of analytical artifacts in 

the analysis of potency/related substances 

in reconstituted anti-cancer lyophilized 

solid drug product. Z. Li, 

R. Barnes 

181. LC-MS/MS method development using 

host-guest chemistry to improve the detection 

limits for melamine and cyanuric 

acid. R. A. Nardi 

182. Distinguishing among three luteolin glycoside 

isomers by using host-guest 

chemistry and LC-MS/MS. C. Ozer 

183. Characterization of homemade explosives 

(HMEs) by ion chromatography – 

tandem mass spectrometry (IC-MS/MS). 

J. A. Tokarz, J. M. Ginter, S. A. Ostazeski 

184. 2D NMR correlation experiments in the 

gas phase. A. A. Marchione 

185. Novel electrochemical DNA sensing 

strategy based on homogeneous solution 

phase hybridization and host-guest recognition. 

p. He,H.Fan,Y.Xu,Y.Fang 

186. Design and application of multiple polymer 

layered systems to facilitate 

waveguide sensor detection. 

J. M. Giammarco, B. Zdyrko, J. Hu, 

A. Agarwal, L. C. Kimerling, N. Carlie, 

L. Petit, K. Richardson, I. Luzinov 

187. Study of possibility to use zeolites for 

immobilization of proteins in conductometric 

and potentiometric biosensors. 

E. Soy, A. Sacco Jr., S. Dzyadevych, 

B. Akata Kurc 

188. Grating-coupled SPR for magnetic 

nanoparticle immunoassay. Y. Wang, 

J. Dostalek, W. Knoll 

189. Oxygen insensitive biosensors for real 

time detection of glutamate and glucose. 

C. R. Ispas, S. Andreescu 

190. Evaluation of GCxGC-TOF-MS as an 

advanced screening technique in support 

of the Organization for the Prohibition of 

Chemical Weapons (OPCW) proficiency 

testing. E. J. Bukowski, E. A. Jestel 

191. Fluorescent ratiomeric Cu(II) indicator 

based on poly(N-isopropylacrylamide) labelled 

with a donor, an acceptor, and a ligand. 

S. Yao, J. Du, W. R. Seitz, 

N. E. Bencivenga, R. P. Planalp, 

R. K. Jackson, D. P. Kennedy, 

S. C. Burdette 

192. Evaluation of the experimental parameters 

that affect the electron capture dissociation 

of oligosaccharides. X. Yu, 

C. Lin, Y. Huang, C. E. Costello 

193. New mass spectrometry based method 

to screen for �-amidated peptides from 

cell lines. Z. An, J. M. Koomen, 

D. J. Merkler 






consent from ACS.

194. Photoresponsive ion-selective sensors 

for localized acid-base titration. 

V. Bychkova, A. Shvarev 

195. Real-time monitoring of protease activity 

by fluorescence resonance energy 

transfer through peptide-graphene conjugates. 

B. Ye,M.Zhang 

196. Environmental heavy metal contamination 

and pattern recognition in Kaduna, 

central northern Nigeria. S. O. Fakayode, 

E. F. Arhagba,, W. E. Stapleton, 

A. M. Taylor, M. McCoy, D. A. Pollard, 

M. Yakubu, A. K. Mohammed 

197. Nanoporous liposomes for chemical 

analysis. T. Hsin, G. Chellappan, K. Wu 

198. Azobenzene functionalized poly(dimethyl 

siloxane) coatings for explosive detection 

using a surface acoustic wave device. 

T. Ponrathnam, S. Liu, A. Kokil, 

J. Cho, H. Sun, R. Nagarajan, J. Kumar, 

P. Kurup 

199. Gas sensing in metal-organic frameworks 

via localized surface plasmon resonance 

spectroscopy. L. E. Kreno, 

J. T. Hupp, R. P. Van Duyne 

200. Structural characterizations of milk sugars 

by collision-induced dissociation 

(CID) and electron transfer dissociation 

(ETD) on an ion trap MS. L. Han, 


201. Protein characterization using a combination 

of nonresonant CID and ECD in a 

Qh/FT-ICR hybrid mass spectrometer. 

S. Bourgoin-Voillard, N. Leymarie, 


202. Mixed metal oxide nanowires and their 

sensing properties. X. Li, E. Chin, Q. Yan, 

H. Sun, P. U. Kurup, Z. Gu 

203. Extraction, concentration and decontamination 

of PCB’s and dioxins in food 

using small peptides on polyaniline matrix. 

N. N. Mateeva, E. Archibong, 

A. Foster, K. Warriner, S. Sreevatsan 

204. Ionic strength of supporting electrolyes 

change the response signals of a spectroelectrochemical 

sensor. E. E. Amba, 

L. K. Morrris, C. J. Seliskar, 

W. R. Heineman 

205. “Tail” of two detectors: Identification of 

avian influenza via fecal volatiles. 

B. A. Kimball, K. Yamazaki, D. Kohler, 

M. Opiekun, A. Faranda, J. P. Muth, 

R. Bowen, G. K. Beauchamp 

206. MiDA: An impartial and incontrovertible 

electroanalytical method to detect extraterrestrial 

microbial life. J. Wage, 

K. McElhoney, J. Maisano, S. Stroble, 

G. O’Neil, S. Kounaves 

207. Fluorescent sensing array based on 

grafted polymer layers. 

M. Chyasnavicyus, B. Zdyrko, 

V. Tsyalkovsky, V. Klep, I. Luzinov 

208. Organically wired gold monolayer protected 

clusters. B. N. Turner, D. E. Cliffel 

209. Photoacoustic effect generated in phononic 

structures. G. J. Diebold, B. Wu 

210. Hindered rolling and friction anisotropy 

in supported carbon nanotubes. 

M. Lucas, X. Zhang, I. Palaci, C. Klinke, 

E. Tosatti, E. Riedo 

211. Distance and wavelength dependent dielectric 

function of Au NPs by angleresolved 

SPRi. M. S. Golden, 

A. C. Bjonnes, R. M. Georgiadis 

212. Trace gas detection of nitrogen dioxide 

using cavity ring-down spectroscopy. 

J. Dudek 

213. Comparison of tandem GC-MS with 

tandem LC-MS for the determination of 

‚9-THC and its metabolites in biological 

fluids. M. S. Young, J. T. Martin 

214. Non-invasive NMR characterization and 

evaluation of conservation treatments of 

oil stains in works of art on paper. 

S. Centeno, C. Kehlet, P. Currier, 

D. Stockman, E. Del Federico 

215. Very high photon capture efficiency for 

Raman spectroscopy. A. R. Hajian, 

J. Hendrikse, O. Pawluczyk, A. Cenko, 

J. Meade 

216. Highly stable and sensitive cellular 

ELISA using potent enzymatic-inorganic 

cerium oxide nanoparticles (single reagent). 

A. Asati, C. Kaittanis, S. Santra, 

J. Perez 

217. Massively parallel detection of gene expression 

in single cells using subnanoliter 

wells and multiplexed RT-PCR. Y. Gong, 

J. C. Love 

218. Advances in potential-modulated attenuated 

total reflectance (PM-ATM) spectroscopy 

for characterization of transparent 

metal oxide/semiconductor interfaces 

relevant to solar energy conversion. 

J. L. Jenkins, Z. O. Araci, 

R. C. Shallcross, E. L. Ratcliff, 

S. S. Saavedra, N. R. Armstrong 

219. Effects of counter ions on solid phase 

analytical derivatizations. S. N. Atapattu, 

J. Rosenfeld, A. Liu, F. Cui 

220. Investigation of a dissolution failure 

where the root cause was determined to 

be trace level impurities in the API. 

P. Tattersall, E. Reiff, A. Bretnall, 

S. Brueggemeier, A. Dennis, 

R. Deshpande, W. Ding, L. Hobson, 

Z. Huang, M. Hubert, M. Leane, 

O. Lyngberg 

221. DNA aptamers for the diagnosis and 

characterization of ovarian cancer. 

D. Lopez-Colon,W.Tan 

222. Visual detection of pathogenic microorganisms 

using a protein conglomeration 

method. J. R. Carey,J.Chen 

223. New fluororescent sensors bearing two 

dansyl fluorophores for highly sensitive 

and selective detection of mercury (II) 

ions. N. Wanichacheva, A. Kamkaew, 

S. Watpathomsub, V. S. Lee, K. Grudpan 

224. Single-cell assays for measuring cytokine 

secretion and cytotoxicity of human 

natural killer cells. Y. J. Yamanaka, 

M. Sips, G. Alter, J. Love 

225. Maximizing chromatographic information 

obtained from complex improvised 

explosive device (IED) field samples by 

high-throughput GCxGC-TOF-MS. 

E. A. Jestel, E. J. Bukowski, T. F. Rusek 

226. Application of NMR and chemometrics 

in the quality control of biopharmaceutical 

drug substances. J. Y. Wei 

227. Single-cell analytic technology for the 

detailed characterization of human B cell 

repertoires. A. O. Ogunniyi,D.S.Kwon, 

N. Varadarajan, P. Poignard, 

D. R. Burton, B. D. Walker, J. Love 

228. Design and development of a beadbased 

mesofluidic system. B. Ye,S.Jin 

229. Improvement of tandem mass spectra 

of heparan sulfate by chemical modification 

and charge state manipulation. 

X. Shi, Y. Huang, J. Zaia, H. Yin, 

K. Killeen 

230. Simultaneous detection of multiplexed 

IgG proteins using giant magnetoresistive 

sensors. M. K. Vattipalli, M. C. Granger, 

R. L. Millen, M. D. Porter 

231. Simple and highly selective colorimetric 

detection method for gaseous formaldehyde. 

C. J. Musto, L. Feng, K. S. Suslick 

232. Colorimetric sensor array for vapor 

phase TATP detection. H. Lin, 

K. S. Suslick 

233. Carbon nanofilms on diamond for gas 

and temperature sensing applications. 

V. Kumar,A.A.Bergman, 

A. A. Gorokhovsky, A. M. Zaitsev 

234. Studying single enzyme kinetics: Correlations 

between size and activity. 

M. J. Rojek, H. H. Gorris, D. R. Walt 

235. Sensitive E-DNA sensor for trace bleomycins 

detection. B. Ye,B.Yin,D.Wu 

236. Monitoring anti-cancer drug metabolism 

with capillary electrophoresis. 

A. M. Jones, V. Subramaniam, A. J. Haes 

237. Optically trapped array of microbeads 

for biosensing applications. M. Manesse, 

C. N. Lafratta, M. A. Palacios, 

A. F. Phillips, D. R. Walt 

238. Neutron single-crystal diffraction instrument 

for structure studies in chemical 

and materials science. X. Wang, 

C. M. Hoffmann, M. J. Frost 

239. Fabrication of a folding-based electrochemical 

DNA sensor by “click” chemistry. 

S. P. Canete,R.Y.Lai 

240. Effects of surface charge on reversedphase 

liquid chromatographic stationary 

phases. B. A. Alden, J. E. Turner, 

P. Iraneta, C. A. Boissel, S. McCall, 

D. P. Walsh, J. T. Cook, K. H. Glose, 

K. D. Wyndham, T. H. Walter 

241. Single DNA molecule genotyping in an 

array of femtoliter-sized reaction vessels. 

A. F. Phillips,D.R.Walt 

242. Sensors for extraction and determination 

of PCBs and dioxins based on selective 

pentapeptides. E. Archibong, 

A. Foster, N. N. Mateeva, K. Warriner, 

S. Sreevatsan 

243. Evaporative packing of nano and microsphere 

masks on hydrophobic surfaces. 

D. E. Thompson, D. L. Williams, 

B. F. Dejene, D. C. Palm 

244. Investigating the use of multivariate fluorescence 

correlation spectroscopy for 

cross-correlation experiments. 

C. A. Roach,S.L.Neal 


Section B 


Room 108 

ACS Award for Creative Invention: 

Symposium in Honor of David Walt 

T. Swager, Organizer, Presiding 


8:20 245. Chemical and biosensing with 

functionalized carbon nanotubes. 

T. M. Swager, Y. Weizmann, 

D. M. Chenoweth, F. Wang, J. Lim 

8:55 246. Nanoflares: A new modality in biodiagnostics 

and bioimaging. C. A. Mirkin 

9:30 247. Sensing chemical and biochemical 

compounds with optical nanostructures. 

M. J. Sailor 


10:25 248. Engineering better medicines. 

J. M. DeSimone 

11:00 249. Electrokinetic transport in brain 

tissue. S. G. Weber,Y.Guy,A.Hamsher, 

H. Xu, A. Faraji, K. Peters 

Section A 


Room 107C 

A Half-Century at the Crossroads of 

Chemistry: Symposium in Honor of Royce 

Murrays 50 Years at Carolina 

Analytical Science Cosponsored by ANYL 

and INOR Financially supported by University 

of North Carolina at Chapel Hill and Analytical 

Chemistry 

R. Wightman, R. McCarley, Organizers 

D. Rolison, Organizer, Presiding 

8:20 Introductory Remarks: Royce Murray’s 

50 years of excellence in research, education, 

and service to chemistry and science, 

Henry Blount 

8:30 250. Simple technologies for analysis. 

G. M. Whitesides, C. Mace, Z. Nie, 

F. Deiss, K. Mirica 

9:00 251. Applications of SERS to problems 

in bioanalytical chemistry and art conservation. 


9:30 252. Committed electron pusher trucks 

on. R. W. Murray 


10:30 253. Carbon electrodes for in vivo 

analysis. R. Wightman 

11:00 254. Nanopore analysis of DNA base 

modifications. H. S. White,C.J.Burrows, 

A. M. Fleming, N. An, Q. Chen, A. Schibel 

11:30 255. Quantitative electrochemical cytometry 

of nanometer transmitter vesicles. 

A. G. Ewing, D. Omiatek, 

L. Mellander, Y. Dong, M. Heien 




Technology Development Sponsored by 

PHYS, Cosponsored by ANYL 


Section B 


Room 108 

ACS Award for Creative Invention: 

Symposium in Honor of David Walt 

T. Swager, Organizer, Presiding 

1:00 256. Biological mass spectrometry: 

Challenges and opportunities. 

L. M. Smith 

1:35 257. Ultrasensitive biosensing via optical 

diffraction with plasmons, nanowires, 

nanoparticles and surface enzyme chemistry. 

R. M. Corn, Y. Chen, A. R. Halpern, 

I. E. Sendroiu, W. Zhou, N. Hu 

2:10 258. Characterizing individual DNA 

molecules using nanofluidic devices. 

J. Ramsey 


2:55 259. Allosteric effectors of hemoglobin 

reduce the out-flux of apoptosis-inducing 

nitric oxide from tumors to blood. 

A. Heller 

3:30 260. Analysis on paper-based microfluidic 

systems. G. M. Whitesides 


4:10 261. Award Address (ACS Award for 

Creative Invention Sponsored by the ACS 

Corporation Associates). Studying single 

molecules and single cells using optical 

fiber arrays. D. R. Walt 

Section A 


Room 107C 




Materials Chemistry & Nanoscience 

Cosponsored by ANYL and INOR Financially 

supported by University of North Carolina at 

Chapel Hill and Analytical Chemistry 

D. Rolison, R. Wightman, Organizers 

R. McCarley, Organizer, Presiding 

1:30 262. Bonding in thiolated gold clusters 

and self-assembled monolayers: What 

happens when a “good metal” meets 

some “satisfied molecules”. 

R. L. Whetten 

2:00 263. Ligand-protected gold clusters as 

molecular metals. H. Häkkinen 

2:30 264. Some charge transport ideas, informed 

by Royce. M. Ratner 


3:30 265. Functional metal-organic framework 

materials. J. Hupp 

4:00 266. Optimizing electron and proton 

transfer in water splitting dye-sensitized 

solar cells. S. Lee, W. Youngblood, 

L. Blasdel, L. Jellison, D. Lentz, 

T. A. Moore, A. L. Moore, D. Gust, 

T. E. Mallouk 

4:30 267. Nanoparticulate ruthenium dioxide 

shells on optical substrate cores: An old 

material as a new TCO with broadband 

transparency and metallic conductivity. 

D. R. Rolison, C. N. Chervin, J. W. Long, 

J. C. Owrutsky, S. L. Brock, 

J. S. Melinger 




Structural Analysis & Filtration Sponsored 

by PHYS, Cosponsored by ANYL 





ANYL 

TECH–11

ANYL/BIOT/BIOL TECHNICAL PROGRAM 


Sustaining Water Quality Sponsored by 

ENVR, Cosponsored by ANYL 


Section B 


Room 108 

Chemical Sensors 


J. Whitten, Organizer, Presiding 

8:00 268. Fabrication of Pd/TiO 2 nanofibers 

and their application in hydrogen sensing 

. W. Jia, L. Su, Y. Wang, Y. Lei 

8:20 269. Poly[meso-tetrakis(2-thienyl)porphyrin] 

for the sensitive electrochemical 

detection of explosives. W. Chen, 

Y. Wang,C.Brückner, C. Li, Y. Lei 

8:40 270. Surface plasmon resonance and 

quartz crystal microbalance sensing with 

nanopatterned colloidal film arrays. 

R. Advincula 

9:00 271. Nanometric ion sensing using 

near-field ratiometric fluorescence sensing. 

A. Lewis, E. Wajnryt, P. Hamra, 

C. Lewis 

9:20 272. Development of a mixed sensor 

system for the detection of hazardous 

chemicals and explosives. J. Im, 

S. K. Sengupta, M. F. Baruch, 

J. E. Whitten 

9:40 273. Microplasma detection of hazardous 

compounds. R. L. Vander Wal, 

J. Hitomi Fujiyama-Novak, B. Ward, 

D. Das, C. K. Gaddam, A. Mukerjee 


10:10 274. Schizophrenic molecules and 

materials with multiple personalities: How 

materials science could revolutionize 

chemical sensing. D. Diamond 

10:30 275. Watching the dynamics of photosensitive 

membrane proteins by fluorescence 

spectroscopy. H. Bayraktar, 

A. P. Fields, J. M. Kralj, J. L. Spudich, 

K. J. Rothschild, A. E. Cohen 

10:50 276. Ratiometric semiconductor 

nanocrystal sensors for toxins: Heavy 

metals and proteins. L. E. Page, 

X. Zhang, C. Tyrakowski, A. Ghai, 

J. Krooswyk, P. T. Snee 

11:10 277. Electrospun metal oxide nanofibers 

for sensitive glucose and H 2O 2 detection. 

Y. Ding,Y.Lei 

11:30 278. Direct electrochemistry and electrocatalysis 

of glucose oxidase on poly- 

[cobalt meso-tetrakis(2-thienyl)porphyrin]-SWNTs 

composites. W. Chen, 

Y. Ding, J. Akhigbe, C. Brückner, C. Li, 

Y. Lei 

Section A 


Room 107C 




Energy & Sustainability Cosponsored by 

ANYL and INOR Financially supported by 

University of North Carolina at Chapel Hill and 

Analytical Chemistry 

R. Wightman, R. McCarley, Organizers 

D. Rolison, Organizer, Presiding 

8:20 Introductory Remarks: Where would 

functional interfaces be without Royce 

Murray? Robert Nowak 

8:30 279. Electrochemistry at the nanoscale: 

Building blocks and techniques. 

H. D. Abruña 

12–TECH 


9:00 280. In pursuit of a molecular view of 

low work function metal-organic interfaces 

in photonic devices. 

J. E. Pemberton 

9:30 281. Proton conduction in fluoroalkyl 

phosphonic and phosphinic acid electrolytes. 

S. Creager, D. DesMarteau, 

M. Herath, L. Jin 


10:30 282. Multifunctional carbon nanoarchitectures 

as designer platforms for 

electrochemical power sources. 

J. W. Long, M. B. Sassin, C. N. Chervin, 

J. M. Wallace, K. A. Pettigrew, 

J. L. Dysart, D. R. Rolison, A. N. Mansour 

11:00 283. Silver vanadium phosphorous 

oxide: Resistivity and morphology study. 

E. S. Takeuchi, Y. Kim, C. Lee, 

E. S. Kozarsky, M. K. Sharma, S. Zhu, 

A. C. Marschilok, K. J. Takeuchi 

11:30 284. So you think you’re an electrochemist, 

well say hello to my little friend. 

L. M. Tender, S. Strycharz, R. Snider 




Macromolecular Structures Sponsored by 

PHYS, Cosponsored by ANYL 


Section A 


Room 107C 




Look Where the Crossroads Led Us 

Cosponsored by ANYL and INOR Financially 

supported by University of North Carolina at 

Chapel Hill and Analytical Chemistry 

D. Rolison, R. McCarley, Organizers 

R. Wightman, Organizer, Presiding 

1:30 285. Spectroelectrochemical sensors: 

A strategy for improved selectivity. 

R. A. Wilson, S. E. Andria, C. J. Seliskar, 

W. R. Heineman 

2:00 286. Electrically conducting materials 

based on mixed-valent metal complexes. 

C. Elliott 

2:30 287. Chemical and nanostructural 

transformations during reactions of metal 

nanoparticles. J. B. Tracy 


3:30 288. Restarting the gold nanoparticle 

journey: Precursor Au–thiol studies. 

D. E. Cliffel, K. Harkness, C. Simpson, 

L. Deravi, B. Hixson 

4:00 289. Electrochemical DNA-based sensors: 

From benchtop to bedside. 

R. J. White, K. W. Plaxco 

4:30 290. Molecular delivery vehicles constructed 

from electron-transfer-active lipids. 

R. L. McCarley, N. H. Carrier, 

M. F. Mendoza, J. C. Forsythe, 

S. Balamurugan, W. C. Silvers 


Section B 


Room 108 

Clinical Applications of Sensors 


J. Dwyer, Organizer, Presiding 

1:30 291. Measurement of four cancer biomarker 

proteins in oral cancer using 

nanoparticle-based immunoelectrochemical 

arrays. R. Malhotra, V. Patel, 

J. S. Gutkind, J. F. Rusling 

1:50 292. Inexpensive, rapid, and portable 

bioassay for rapid detection of estrogenic 

activity. C. R. Ispas, S. Andreescu 

2:10 293. Particle-particle plasmonic interactions 

and their influence on surfaceenhanced 

Raman scattering sandwich 

immuonassays. E. J. Dufek, 

A. C. Crawford, M. D. Porter 

2:30 294. New microarray platforms for lipidomics 

studies with SPR imaging. 

M. J. Linman,Q.Cheng 

2:50 295. Synthetic nanopore force spectroscopy 

for clinical genotyping. 

J. R. Dwyer, V. Tabard-Cossa, D. Trivedi, 

M. Wiggin, N. N. Jetha, A. Marziali 

3:10 296. Biosensing systems for the detection 

of quorum sensing signaling molecules 

in clinical samples. N. G. Raut, 

P. Pasini, S. Harohalli, 

D. R. Auer Flomenhof, S. Daunert 


3:40 297. Digital enzyme-linked immunosorbent 

assays with subfemtomolar detection 

limits in serum. D. M. Rissin, 

C. W. Kan, T. G. Campbell, S. C. Howes, 

D. R. Fournier, L. Song, T. Piech, 

P. P. Patel, L. Chang, A. J. Rivnak, 

E. P. Ferrell, J. D. Randall, 

G. K. Provuncher, D. R. Walt, D. C. Duffy 

4:00 298. Zwitterionic-based antibody arrays 

with high sensitivity and specificity 

for early cancer diagnostics using SPR 

imaging. N. D. Brault, Q. Yu, S. Jiang 

4:20 299. Peptide-based electrochemical 

biosensor for the detection of HIV antibodies. 

J. Y. Gerasimov,R.Y.Lai 

4:40 300. Quartz crystal microbalance with 

dissipation for real-time characterization 

of ligand-induced cellular response. 

M. Li, M. Garcia, J. Xi 

5:00 301. Withdrawn 




Complex Samples Sponsored by PHYS, 


BIOT 

Division of Biochemical 

Technology 



Control Sponsored by AGFD, Cosponsored 

by BIOT 

BIOL 

Division of Biological 

Chemistry 

J. Bollinger and D. G. McCafferty 



Section A 


Room 253C 

Breakthroughs in Biochemistry 

J. Bollinger, Organizer, Presiding 

11:30 1. Shining light on anesthesia. 

I. J. Dmochowski, R. G. Eckenhoff 

11:50 2. Diphthamide biosynthesis requires 

an Fe-S enzyme-generated organic radical. 

H. Lin 

12:10 3. Mechanistic studies of syringolin A 

biosynthesis. W. M. Wuest,H.J.Imker, 

C. T. Walsh 

12:30 4. Discovery of new natural product 

gene clusters through proteomics. I. Ntai, 

B. S. Evans, S. B. Bumpus, J. C. Tran, 

Y. Chen, J. C. Albright, N. L. Kelleher 

12:50 5. Identification and characterization 

of small molecule RNA conjugates. 

A. M. Leconte,Y.G.Chen, 

W. E. Kowtoniuk, D. R. Liu 

1:10 6. Nitric oxide mediated signaling in 

bacteria. E. M. Boon 

1:30 7. Enzymes as nanomotors. 

S. Sengupta,H.S.Muddana, 

T. Tabouillot, T. E. Mallouk, P. J. Butler, 

A. Sen 

1:50 8. SIRT1 activation by small molecules 

- direct activation or artifact? Evidence 

for direct activation via allosteric modulation 

of catalysis. R. L. Stein,H.Dai, 

L. Kustigian, D. Careney, A. Case, 

T. Considine, T. V. Riera 


and Single Cell Analysis Sponsored by 

ANYL, Cosponsored by BIOL and PHYS 


Section A 


Room 253C 

Synthetic Chemistry for Biological Imaging, 

Quantitation, and Discovery Cosponsored 

by INOR 

D. G. McCafferty, Organizer, Presiding 

2:30 9. Small molecule probes of protease 

function: Applications to molecular imaging. 

M. Bogyo, G. Blum, L. Edgington, 

F. Yin, A. Berger, J. Lee, M. Terashima, 

H. Kosuge, M. McConnell 

3:10 10. Polyketide activity and biosynthesis 

studies using fluorescent and affinity 

tools. C. Perez-Reyes, W. Yu, 

B. D. Jones, M. Kang, J. J. La Clair, 

M. D. Burkart 

3:50 11. Genetically targeted sensors illuminate 

the distribution and dynamics of organelle 

transport of zinc in living cells. 

A. E. Palmer, P. J. Dittmer, Y. Qin, 

J. G. Miranda, C. Stoddard 

4:30 12. Novel sensors for imaging nitric oxide 

and nitroxyl: Selected applications to 

sensing biological NO. L. E. McQuade, 

M. D. Pluth, J. Rosenthal, S. J. Lippard 




SUNDAY EVENING 

Section A 


Hall C 

Advances in Biological Chemistry New 

Understanding 

J. Bollinger, Organizer 

5:30–7:30 

13. Using Cu(II) as a spectroscopic probe for 

metal coordination to Frataxin. L. Gentry, 

P. Veenam, M. Bowman, R. Timkovich, 

L. Busenlehner 

14. Ligand induced fit activation mechanism 

of GH5 endoglucanase: A molecular dynamics 

study. S. Badieyan, D. Bevan, 

M. Zhang 

15. 3D modeling of a conserved, tandem signaling 

GTPase. P. E. March, S. Patchett, 

C. Pinegar, M. A. Sellitto, F. Ryvkin 

16. Nonpolar isosteres of 8-OxoG expose 

recognition and catalysis of DNA repair 

glycosylases. P. L. McKibbin, A. Kobori, 

Y. Taniguchi, E. T. Kool, S. S. David 






consent from ACS.

17. Crystal structures of calicheamicin natural 

product glycosyltransferases, CalG2 

and CalG4. A. Chang, S. Singh, 

C. A. Bingman, J. S. Thorson, 

G. N. Phillips, Jr. 

18. Boronate-based antioxidants as useful 

scavengers of hydrogen peroxide in neuronal 

cell culture. C. S. Peritore, 

S. E. Schaus 

19. X-ray structures of isopentenyl phosphate 

kinase. M. F. Mabanglo, 

H. L. Schubert, M. Chen, C. Poulter 

20. Mechanistic studies of two reductive dehydration 

reactions in the deoxyxylulose 

phosphate pathway. Y. Xiao,P.Liu 

21. Thermophilic bacterium capable of Poly- 

(vinyl alcohol) degradation. M. Kim, 

M. Yoon, Y. Yoon 

22. Geometric analysis of catalytic residues 

in the penicillin-binding proteins. 

W. G. Gutheil, S. Bobba 

23. Non-invasive fluorescence-based methods 

for measurements of integrin and 

lipid lateral organization in the membrane 

of cultured cells. S. Sander, N. Arora, 

D. Dibya, E. A. Smith 

24. Deoxyribonucleotide levels control genetic 

instability phenotypes in budding 

yeast. M. Fasullo, O. Tsaponina, 

A. Chabes, M. Sun 

25. Specific ion effects in coiled coil folding. 

A. F. Dexter 

26. Enzymatic activity of SIRT5 uncovers 

novel protein posttranslational modifications. 

H. Lin 

27. Zinc-substituted cytochrome P450cam: 

Characterization of protein conformers by 

photoinduced electron transfer. 

K. I. Jankowska,C.V.Pagba, 

P. Piotrowiak 

28. Vitamin K epoxide reductase employs intraprotein 

transfer of reducing power for 

continual formation of vitamin K hydroquinone. 

M. A. Rishavy, A. Usubalieva, 

K. W. Hallgren, K. W. Runge, 

K. L. Berkner 

29. DNA-catalyzed covalent modification of 

amino acid side chains. O. Wong, 

P. Pradeepkumar, S. K. Silverman 

30. Investigation of trinucleotide repeat 

structure in nucleosome core particles. 

C. B. Volle, S. Delaney 

31. Prenyl transferases involved in the biosynthesis 

of prenylated flavonoids exhibiting 

various biological activities. 

K. Yazaki 

32. Predicting protein resistance of molecular 

monolayers. P. Paramonov 

33. Mutual influences between �-synuclein 

and glutathione peroxidase and their 

physiological/pathological implications. 

H. Koo, J. Chun, D. Lee, S. Paik 

34. Investigating the interaction between the 

alpha subunit of DNA polymerase III and 

UmuD. M. C. Silva, E. Ronayne, 

P. J. Beuning 

35. 30K Protein originating from silkworm as 

an additive for stabilization of enzyme activity. 

J. Park, H. Park, T. Park 

36. Tale of two enzyme folds: Insights into 

catalysis by R67 and E. coli dihydrofolate 

reductase. G. Kamath, P. Agarwal 

37. Investigating the catalytic mechanism of 

the yeast palmitoyltransferase Akr1p. 

X. Guan, E. S. Simon, A. F. Roth, 

N. G. Davis, P. C. Andrews, C. A. Fierke 

38. Branching point of rebeccamycin and 

staurosporine aglycone biosynthesis: 

Roles of nonconserved residues in RebC 

and StaC. P. J. Goldman, K. S. Ryan, 

M. J. Hamill, S. J. Elliott, C. T. Walsh, 

C. L. Drennan 

39. Hairpin-hairpin interactions mediate conversion 

to duplex in trinucleotide repeat 

sequences. A. Ávila-Figueroa, 

S. Delaney 

40. Synthetic tools for the investigation and 

exploitation of polyketide biosynthesis. 

M. Tosin, P. F. Leadlay 

41. H 2O 2-mediated signal transduction: A 

possible role for peroxymonocarbonate. 

H. Zhou, Z. Parsons, S. Lewis, 

S. Bhattacharya, D. Seiner, J. N. LaButti, 

T. Reilly, K. S. Gates 

42. Engineering non-immunogenic and pharmacologically 

optimized enzymes for 

chemotherapeutic treatment of neuroblastomas. 

E. Stone, O. Paley, B. Ekerdt, 

S. Yang, G. Georgiou 

43. Impact of hydrogen bonding network: A 

closer look at the active site of FIH. 

E. Saban,M.J.Knapp 

44. Understanding the substrate specificity 

of DNA Pol III alpha through protein engineering. 

R. Parasuram, P. J. Beuning, 

M. Ondrechen 

45. Unfolding kinetics of Ferricytochrome c 

in the presence of phospholipid membranes 

with and without Cardiolipin. 

S. M. Greer, J. B. Soffer, A. Hagarman, 

R. Schweitzer-Stenner, J. Xi 

46. Iron storage of micro and macroalgae 

using Mossbauer spectroscopy. 

A. N. Romano 

47. Unexpected calcium inhibition towards 

porcine leukocyte 12-lipoxygenase. 

S. Xu, A. M. Sharp, M. O. Funk 

48. Investigating the role of lipids in cytokinesis. 

G. E. Atilla-Gokcumen, S. Sasse, 

U. Eggert 

49. Mechanistic investigations of new ribonucleotide 

reductase-inhibiting anticancer 

drugs. Y. Aye,J.Stubbe 

50. Studies on the formation of polyhydroxybutyrate 

granules in Ralstonia eutropha 

via characterization of granule precursors 

and fluorescence microscopy. M. Cho, 

C. J. Brigham, A. J. Sinskey, J. Stubbe 

51. Structural origins of fidelity in pri-miRNA 

maturation by the “microprocessor”. 

C. W. Wostenberg, K. A. Quarles, 

A. R. Bonny, S. A. Showalter 

52. Predictable transitive RNA interference 

induced by mRNA hairpins in C. elegans. 

T. M. Dwyer 

53. AGG interruptions in (CGG) n repeat 

tracts of DNA modulate the structure and 

thermodynamics of non-B conformations 

in vitro. D. A. Jarem, L. V. Huckaby, 

S. Delaney 

54. Switching a minimal riboswitch on/off: 

Experimental and computational approaches 

to PreQ1 riboswitch structural 

changes. A. Pomerantz, P. M. Petrone, 

J. Dewhurst, R. Tommasi, L. Whitehead 

55. Biosynthesis of azasugars. L. Clark, 

N. Horenstein 

56. Refined model for CD8, TCR, and MHC 

interactions at the immunological synapse. 

J. Hoerter, J. Casas, V. Rybakin, 

J. Ampudia, P. Yachi, J. Connolly, 

T. Hansen, K. Gould, N. Gascoigne 

57. Optimizing the expression of alkaline 

phytase in Pichia pastoris. M. Yang, 

S. C. Johnson, P. Murthy 

58. Influence of external stimuli on levels of 

human salivary immunoglobulin A (IgA). 

M. Doshi, J. Woloski, P. Huch, 

C. Charnetski, T. Wignot 

59. Hydroxymethylglutaryl-CoA lyase 

(HMGCL): Functional insights from structures 

of HMGCL-Mg �� -hydroxyglutaryl- 

CoA and HMGCL R41M-Mg �� -HMG- 

CoA ternary complexes. H. M. Miziorko, 

Z. Fu, J. A. Runquist, J. P. Kim 

60. Plausible molecular mechanism for H4- 

K16 acetylation triggered unfolding of 

chromatin. G. Arya,D.Yang 

61. Confirmation of a long range interaction 

in HIV-1 5�-UTR and its effect on dimerization. 

S. Barton, B. Dorjsuren, 

G. Kulandaivel, K. Lu, M. F. Summers 

62. Specific biological ability of trehalose 

and multivalent trehalose on A� aggregation. 

M. Wada, Y. Miyazawa, Y. Miura 

63. Spectroscopic, steady-state, and transient 

kinetic studies of a representative 

siderophore-associated monooxygenase. 

J. A. Mayfield, R. E. Frederick, 

B. R. Streit, T. A. Wencewicz, 

J. L. DuBois 

64. Analysis of trans-retinoic acid - induced 

neuronal differentiation of pluripotent embryonal 

carcinoma cells. H. E. Stansfield, 

B. Li, L. Gasimli, B. Yang, A. V. Nairn, 

K. W. Moremen, J. L. Paluh, 

R. J. Linhardt, J. S. Dordick 

65. Identification of the elusive metal binding 

sites the putative iron chaperone frataxin. 

L. E. Gentry, R. Timkovich, 

L. S. Busenlehner 

66. Proteomic profiling to determine the antineoplastic 

mechanism of silver carbenes. 

S. M. Bilinovich, M. J. Panzner, 

M. C. Deblock, W. J. Youngs, 

T. C. Leeper 

67. Comprehensive QM/MM studies of the 

proton transfer reaction in 4-oxalocrotonate 

tautomerase. P. Wu, X. Hu, W. Yang 

68. Catalytic activation of yeast acetyltransferase 

Rtt109 by the histone chaperone 

Vps75. E. M. Kolonko, B. N. Albaugh, 

S. E. Lindner, J. L. Keck, J. M. Denu 

69. Resonance Raman studies of the conformational 

transition in sol-gel encapsulated 

hemoglobin: Toward a structural 

basis for the tertiary two-state model of 

cooperativity. E. M. Jones, 

G. Balakrishnan, T. G. Spiro 

70. Discovery of an inhibitor of bacterial 

N-glycosylation. J. P. Morrison, 

D. Jimenez Teja, A. Ciulli, B. Imperiali 

71. Mechanistic exploration of small molecule 

inhibitors of O-GlcNAc transferase. 

J. Jiang, M. Lazarus, S. Walker 

72. Implication of OGG1 in onset of Huntington’s 

disease. K. M. Schermerhorn, 

N. Wilson, D. Jarem, S. Delaney 

73. Viral fusogenic peptides form transmembrane 

helical bundles: Implications for the 

mechanism of fusion. Y. Zhang, 

J. Donald, G. Fiorin, V. Carnevale, 

D. Slochower, M. L. Klein, W. F. DeGrado 

74. p-Thiotyrosine induced DNA cleavage 

and religation activity of vaccinia topoisomerase 

I. S. Chen,S.M.Hecht 

75. Spectroscopically determined pKa values 

of archaeal thioredoxins do not govern 

their electrochemical potential. 

K. D. Bewley, S. Mitra, M. Dey, 

S. E. Chobot, C. L. Drennan, S. J. Elliott 

76. Structural and redox significance of flavin 

in E. coli adaptive response protein AidB. 

M. J. Hamill, C. Wong, C. L. Drennan, 

S. J. Elliott 

77. Advances in cyanobactin biosynthesis. 

J. A. McIntosh,E.W.Schmidt 

78. Discrimination against the fluorescent 

cytosine analog tC by E. coli polymerase 

IV DinB. J. M. Walsh, I. Bouamaied, 

L. Wilhelmsson, P. J. Beuning 

79. Withdrawn 

80. Creation, analysis and selective oxidation 

of modified replication related DNA 

architectures. N. J. Amato,T.J.Wang, 

A. J. Bryant-Friedrich, T. Mueser 

81. Probing N-linked glycosylation at the 

membrane interface with Nanodisc technology. 

M. D. Hartley, B. Imperiali 

82. Sequence-specific DNA phosphorothioate 

modification in bacterial kingdom. 

L. Wang, S. Chen, M. S. Demott, 

K. Taghizadeh, Z. Deng, P. C. Dedon 

83. Conformational characterization of the 

Escherichia coli DNA polymerase partner 

proteins UmuD and � sliding clamp. 

J. Fang, J. R. Engen, P. J. Beuning 

84. Characterization of an H-NOX regulated 

two-component signaling pathway in 

Pseudoalteromonas atlantica. D. Arora, 

E. Boon 

85. Viscosity effects on the rates of helical 

peptide conformational dynamics in neat 

alcohol solvents. M. A. Kubasik, 

C. Quinn 

86. Utilizing Taxus acyltransferases as biocatalysts: 

A handy way of producing 

modified paclitaxel compounds. 

I. N. Nawarathne, K. D. Walker 

87. Integrating microarray experimental and 

computational methods for improved 

drug target prediction. L. M. Christadore 

88. Prenylome profiling reveals farnesylation 

of an interferon-induced protein effector 

is crucial for host resistance to virus infection. 

G. Charron,L.K.Tsou, 

W. Maguire, H. C. Hang 

89. Probing the role of active site loops in E. 

coli Y family DNA damage bypass Polymerase 

V. L. A. Hawver, C. Gillooly, 

P. J. Beuning 

90. Protein folding dynamics in crowded environments 

and living cells. A. Dhar, 

S. Ebbinghaus, A. Samiotakis, 

M. S. Cheung, M. Gruebele 

91. Repair of DNA interstrand cross-links: Involvement 

of the cell cycle. T. M. Mason, 

M. Bender, J. Wikoff, P. Miller 

92. Kaposi sarcoma virus: Virus-host protein 

interactions. S. Wanamaker, D. Meine, 

T. Hao, D. Hill, M. Vidal, 

J. Roecklein-Canfield 

93. Novel small molecule allosterically activate 

Integrin Cd11b/Cd18 and reduce 

leukocyte migration. D. Maiguel, 

M. H. Faridi, V. Gupta 

94. Sequence-specific recognition of structured, 

pre-microRNA with conformationally-preorganized 

miniPEG-� peptide nucleic 

acids. M. J. Crawford, 

S. Rapireddy, B. Sahu, D. H. Ly 

95. E. coli UmuD conformational dynamics in 

response to DNA damage. 

J. N. Ollivierre, J. Sikora, A. Wallace, 

P. J. Beuning 

96. Determining the role of NO/HNOX in the 

quorum sensing pathway of Vibrio harveyi. 

B. M. Henares, E. Boon 

97. Analysis of isolated and purified Staphylococcus 

aureus type 5 capsular polysaccharide 

via monoclonal antibodies and 

NMR. J. M. Wells, T. Rudnicki, 

D. L. Fagan 

98. In vitro cytotoxicity and generation of oxidative 

stress by zinc oxide nanoparticles 

in human and rodent cells. Q. Xia, 

H. Chiang, H. Yu, J. Yin, F. P. Peter 

99. Role of polyamine biosynthesis and 

eIF5A hypusination in adipocyte differentiation. 

P. S. Tiwari, A. Gosslau, K. Chen, 

A. Liu 

100. Heat stress is associated with the loss 

of eukaryotic initiation factor 5A. 

R. Butler, A. Gosslau, A. Liu, K. Chen 

101. Characterization of a diguanylate cyclase 

from Shewanella woodyi with cyclase 

and phosphodiesterase activities. 

N. Liu 

102. pH-dependent structural and functional 

properties of hPRL and the extracellular 

domain of its receptor. M. Tettamanzi, 

C. Keeler, M. Kulkarni, S. Meshack, 

D. Myszka, M. Hodsdon 

103. Accumulation of tetrahedral intermediates 

in cholinesterase catalysis: A secondary 

isotope effect study. D. M. Quinn, 

J. R. Tormos, K. L. Wiley, F. Nachon, 

P. Masson, Y. Nicolet 

104. Genetic engineering of polyketide scaffolds 

for next generation antibiotics. 

L. S. Borketey, N. A. Schnarr 

105. Extracellular loop 2 and 3 of short 

wavelength cone opsins. D. J. Sandberg, 

M. Chen, K. R. Babu, J. Bubis, A. Surya, 

L. S. Ramos, H. J. Zapata, J. F. Galan, 

R. R. Birge, B. E. Knox 

106. Structure of peptides from mineralization-regulating 

proteins adsorbed onto 

hydroxyapatite. C. Vander Zanden, 

M. Wilson, E. Wilson 

107. Characterization of Bacillus subtillis 

QueE, a novel radical SAM enzyme that 

catalyzes a complex cyclization reaction 

in the the biosynthesis of 7-deazapurines. 

R. M. McCarty, V. Bandarian 

108. Effects of mutation of Lys192 and 

nearby residues on the substrate specificity 

and thermal stability of paraoxonase-1. 

C. K. Harsch, T. C. Otto, 

D. G. Mata, D. M. Cerasoli, D. E. Lenz, 

T. J. Magliery 

109. Unraveling amyloid assembly in phospholipids. 

J. A. Simmons,D.G.Lynn 

110. Kinetic studies of conformation 

changes associated with M2 proton 

channel activation from influenza A virus. 

J. X. Qiu, Y. Wu, W. F. DeGrado 





BIOL 

TECH–13

BIOL TECHNICAL PROGRAM 

111. His115 is a major determinant of the 

specificity of paraoxonase-1. D. G. Mata, 

T. C. Otto, C. K. Harsch, N. Bharwani, 

D. M. Cerasoli, D. E. Lenz, T. J. Magliery 

112. Directed evolution of bacteriorhodopsin 

for biomimetics. N. L. Wagner, 

E. E. Duffy, M. R. Gillespie, R. R. Birge 

113. Kinetic and structural insights into the 

mechanism of ampylation by VopS FIC 

domain. D. R. Tomchick,P.Luong, 

L. N. Kinch, C. A. Brautigam, 

N. V. Grishin, K. Orth 

114. Molecular mechanisms of action of Vernonia 

Amygdalina as anti-cancer in the 

management of breast cancer. 

C. G. Yedjou, P. B. Tchounwou, 

E. B. Izevbigie 

115. Quorum sensing-regulated antibiotic 

production from Burkholderia thailandensis. 

M. R. Seyedsayamdost, 

E. Greenberg, J. Clardy 

116. Proteomics of human lymph and 

plasma reveals a unique self peptidome 

associated with the lymph. 

C. C. Clement, L. Santambrogio 

117. Toward understanding an unusual His- 

Tyr ligated c-heme: X-ray crystal structures 

of MauG point mutants. 

L. M. Jensen, N. Abu Tarboush, 

V. L. Davidson, C. M. Wilmot 

118. Depletion of the negatively charged 

membrane lipid phosphatidyl glycerol 

leads to daptomycin resistance in Bacillus 

subtilis. A. G. Hachmann, 

J. D. Helmann 

119. Quorum quenching effects of PON 1 on 

pathogenic bacterial inhabitants of the 

human colon. L. M. Simons, 

K. Jankowski, Y. Harris 

120. Cholesterol transport in model-membrane 

systems studied by time resolve 

small angle neutron scattering. S. Garg, 

L. Porcar, U. Perez-Salas, P. Butler 

121. Chitosan treatment affects TGF-�2 expression 

in two ovarian cancer cell lines. 

E. C. Regisford, T. Taylor, J. Stone, 

R. Petrofes-Chapa, C. Johnson, 

M. Stewart, P. Traisawatwong, 

C. Kelly-Brown, L. E. Carson 

122. Understanding and modeling of therapeutic 

monoclonal antibody aggregation. 

V. Kayser, N. Chennamsetty, V. Voynov, 

B. Helk, K. Forrer, B. L. Trout 

123. Kindlin 2, its N-terminal structure and 

function. D. Perera, J. Yang, J. Qin 

124. Photon induced activation of archeal 

thioredoxin. M. Dey, S. J. Elliott, 

C. L. Drennan 

125. Investigating the noncooperative mechanism 

of a hyperthermophillic archaeal 

enzyme for drug development studies. 

L. Eligene, S. Mohamed, V. Curry, 

K. A. Stieglitz 

126. Refinement and analysis of the structure 

of a cobalamin-bound class II ribonucleotide 

reductase. M. A. Funk, 

M. D. Sintchak, N. Ando, J. Stubbe, 

C. Drennan 

127. Crystallographic study of a human DNA 

repair protein: Alkyladenine DNA glycosylase 

(AAG). J. W. Setser, G. M. Lingaraju, 

C. Davis, L. D. Samson, C. L. Drennan 

128. Probing the role of H-NOX proteins as 

sensors for small signaling molecules. 

Z. Dai,E.M.Boon 

129. Biosynthesis of polyhydroxybutyrate 

(PHB) in the Gram-negative aquatic bacterium 

Caulobacter crescentus. 

R. M. Buckley, J. Stubbe, K. N. Allen 


Section A 


Room 253C 

Repligen Award Symposium 

Four Corners of Biological Chemistry 

14–TECH 

R. T. Raines, Organizer, Presiding 


8:30 130. Structure, function, and inhibition 

of human O-GlcNAc transferase. 

S. Walker 

9:10 131. Chemical approaches to sorting 

out protein acetylation. P. A. Cole 

9:50 132. Dicer and beyond: Mechanisms of 

regulatory RNA processing and targeting. 

J. Doudna 

10:30 133. Ribonuclease: From model system 

to the clinic. R. T. Raines 

Section A 


Room 253C 

Goodman Award Symposium 

Biogenesis of Enzyme Cofactors 


J. Stubbe, Organizer, Presiding 

11:20 134. In vivo and in vitro characterization 

of Fe-S cluster assembly by the 

stress-responsive Suf pathway. 

F. W. Outten 

11:55 135. In crystallo biosynthesis of the 

tryptophan tryptophylquinone cofactor of 

methylamine dehydrogenase by the enzyme 

MauG. C. M. Wilmot, L. M. Jensen, 

R. Sanishvili, V. L. Davidson 

12:30 136. Biosynthesis of the H-cluster of 

the [FeFe]-hydrogenase. J. B. Broderick, 

E. M. Shepard, B. R. Duffus, 

S. E. McGlynn, A. L. Bueling, 

C. S. Grady-Smith, S. J. George, 

S. P. Cramer, J. W. Peters 

1:05 137. Assembly of the diferric and dimanganese-tyrosyl 

radical cofactors in 

class Ia and Ib ribonucleotide reductases. 

J. Stubbe, J. A. Cotruvo, C. Shih, 

A. K. Boal, A. C. Rosenzweig 

1:40 138. Structural basis for activation of 

class Ib ribonucleotide reductase. 

A. K. Boal, J. A. Cotruvo, Jr., J. Stubbe, 

A. C. Rosenzweig 


the Interface 






The Community Structure-Activity 

Resource (CSAR) Scoring Challenge 

Sponsored by COMP, Cosponsored by BIOL, 

CINF, and MEDI 


Section A 


Room 253C 

The Chemistry of Epigenetic Regulation 

Cosponsored by MEDI 

P. Cole, Organizer, Presiding 

2:45 139. Studies on the chemistry of oxygen 

dependent regulation of expression. 

C. J. Schofield 

3:25 140. Modulating the modulator: Epigenetic 

control beyond the histone code. 

M. Zhou 

4:05 141. Structural perspective of methylation 

mark-mediated epigenetic regulation. 

D. Patel 

4:45 142. Exploring the roles of epigenetic 

and chromatin regulatory proteins in 

mental retardation. Y. Shi 






Biochemistry Sponsored by CHED, 

Cosponsored by BIOL and SOCED 

Women at the Forefront of Preventing and 

Combating Disease Sponsored by WCC, 

Cosponsored by BIOL, MEDI, and PROF 


Sci-Mix 


8:00–10:00 

26, 42, 54, 73, 81, 87, 116. See previous listings. 

171, 174, 177, 180, 182, 194, 195, 199, 202, 

205, 229, 242, 246. See subsequent listings. 


Section A 


Room 253C 

Pfizer Award Symposium 

V. Bandarian, Organizer, Presiding 

8:30 143. Radical-dependent mechanisms 

of post-translational modification. 

S. J. Booker 

9:10 144. Substrate and product analogs as 

suicide inactivators of ethanolamine ammonia-lyase. 

G. H. Reed, A. L. Menefee 

9:50 145. Genetic and molecular basis for 

sunscreen biosynthesis in cyanobacteria. 

C. T. Walsh, E. Balskus 

10:30 146. Uncovering the paradigm for biosynthesis 

of 7-deazapurine containing 

natural products. V. Bandarian 

Section A 


Room 253C 

Design, Discovery, and Directed Evolution 

of Enzyme Activities Cosponsored by COMP 

and POLY 

T. Magliery, Organizer, Presiding 

11:30 147. Elucidating specificity determinants 

in Bcl-2 family protein-peptide interactions. 

A. E. Keating, S. Dutta, 

S. Gulla, T. Chen, E. Fire, R. A. Grant 

12:10 148. Privileged scaffolds, “underlying” 

promiscuity, and convergence in the evolution 

of new enzyme functions. 

P. C. Babbitt 

12:50 149. Rational design of functional 

metalloenzymes. Y. Lu, N. Yeung, 

N. M. Marshall, K. D. Miner, S. New, 

A. Mukherjee 

1:30 150. Engineering proteins for stability 

and function with statistical and highthroughput 

approaches. T. J. Magliery 



and ORGN 






Section A 


Room 253C 

Natural Products Biosynthesis Cosponsored 

by MEDI and ORGN 

Y. Tang, Organizer, Presiding 

2:30 151. Biosynthesis of natural products 

in ascidians and their symbionts. 

E. W. Schmidt 

3:10 152. Expression of complete fungal 

biosynthetic gene clusters by promoter 

replacement in Aspergillus oryzae. 

R. J. Cox, L. M. Halo, M. N. Heneghan 

3:50 153. Posttranslational modifications in 

natural product biosynthesis. 

W. van der Donk 

4:30 154. Novel drug leads from natural 

products and their derivation from microbial 

and biosynthetic diversity. 

D. Sherman 



and ORGN 


Section A 


Hall C 

Advances in Biological Chemistry 

New Methods 


5:30–7:30 

155. Codon scanning mutagenesis by asymmetric 

transposons. J. Liu,T.Cropp 

156. Genetically encoded photocaged N � - 

methyl-L-lysine. Y. Wang, B. Wu, W. Liu 

157. Increased functional expression of the 

biosynthetic enzymes responsible for the 

synthesis of Ramoplanin A2 using Streptomyces 

chaperones. A. J. Hoertz, 

J. B. Hamburger, D. M. Gooden, 

D. G. McCafferty 

158. Split-tetracysteine-FlAsH: A novel strategy 

for assessing transmembrane helix 

association. C. J. Pace, Q. Huang, J. Gao 

159. Shaken deepwell microplate screening 

to identify high yielding cell clones. 

F. B. Cataniag, J. Mendoza, J. Liu, 

P. Gilbert 

160. Engineering paraoxonase-1 for druglike 

properties, bacterial expression, and 

solubility. V. S. Shete, B. J. Competty, 


161. Improving lipid production from bagasse 

hydrolysate with Trichosporon fermentans 

using response surface methodology. 

R. Li, H. Wu, C. Huang, M. Zong 

162. New generation of antibody: Chicken 

antibody IgY. J. L. Chan 

163. NMR screening of competitive inhibitors 

for NHERF 1 and 2. 

J. M. Fitzpatrick, D. Mierke, 

M. Pellegrini, G. Gaidos 

164. Quantitative characterization of polymer 

– polymer and polymer – protein interaction 

via tracer sedimentation equilibrium. 

A. A. Fodeke,A.P.Minton 

165. Biodiesel production catalyzed by Rhizomucor 

miehei lipase-displaying Pichia 

pastoris whole-cell in an isooctane system. 

H. Shuangyan, H. Dengfeng, 

H. Zhenlin, L. Ying 

166. New method for determining the antibody 

affinities. M. A. Demchenko, 

S. A. Bobrovnik 

167. Liquid crystal state derived from �-casein 

amyloid fibrils. J. Chun,Y.Choi, 

S. Lee, S. Paik 

168. Photoelectric hybrid biomaterial prepared 

with amyloid fibrils of �-synuclein 

in the presence of iron and pthalocyanine 

tetrasulfonate. Y. Choi, H. Koo, D. Lee, 

S. Paik 

169. Energetic contributions of fluorinated 

aromatic amino acids to protein stability. 

H. Zheng,J.Gao 

170. Harnessing biosynthetic enzymes from 

Pseudomonas aeruginosa for the study of 

asparagine-linked glycosylation. 

A. Larkin, B. Imperiali 

171. Multiplexed and reiterative fluorescence 

labeling via DNA-circuitry. D. Y. Duose, 

R. M. Schweller, M. R. Diehl, 

W. N. Hittelman 

172. Photochemical and thermal stability of 

green and blue proteorhodopsins: Implications 

for protein-based bioelectronic 

devices. M. J. Ranaghan, S. Shima, 

L. Ramos, D. S. Poulin, G. Whited, 

S. Rajasekaran, J. A. Stuart, A. D. Albert, 

R. R. Birge 






consent from ACS.

173. Synthetic sugars for cross-linking and 

identification of carbohydrate-binding 

proteins. R. A. Benedict,N.L.Pohl 

174. Controlling protein tyrosine phosphatase 

activity with small molecules. 

A. C. Bishop, Z. E. Walton, L. K. Harris, 

S. M. Frumm, J. Gallant 


176. Development of a new 2,4-dinitrotoluene-responsive 

riboswitch. 

M. E. Davidson, S. V. Harbaugh, 

Y. G. Chushak, N. Kelley-Loughnane, 

M. O. Stone 

177. Structure-activity relationship and 

mechanism of action studies for synthetic 

ligands that modulate quorum sensing in 

Gram-negative bacteria. C. E. McInnis, 

H. E. Blackwell 

178. Antigen targeted probe for imaging and 

delivery of siRNA to tumor cells. 

M. Kumar 

179. HPLC and MS analysis of modified nucleoside 

content in overexpressed tRNA. 

D. Pearson, T. Carell 

180. Small-molecule bromodomain inhibitors 

for cancer therapy. J. Qi, 

P. Filippakopoulos, S. Picaud, W. Smith, 

T. Keates, E. Morse, M. Philpott, K. Shaw, 

O. Fedorov, N. West, T. Heightman, 

C. French, S. Knapp, J. Bradner 

181. Rational design of cosolvents for inhibition 

of protein aggregation. D. Shukla, 

B. L. Trout 

182. Using peptide based combinatorial libraries 

to determine the substrate specificity 

of arginine modifying enzymes. 

K. L. Bicker, O. Obianyo, B. Knuckley, 

H. L. Rust, P. R. Thompson 

183. Biological oxidant-activated nanoagents 

for the detection and treatment of 

disease. M. R. Karver, P. Panizzi, 

R. Weissleder, J. R. McCarthy, 

S. A. Hilderbrand 

184. Contributions of second and third shell 

residues to the activity of alkaline phosphatase. 

N. A. DeLateur, 

S. Somarowthu, H. R. Brodkin, 

P. J. Beuning, M. Ondrechen 

185. Reengineering the nonribosomal peptide 

andrimid. B. S. Evans, Y. Chen, 

H. Zhao, N. L. Kelleher 

186. Fluorogenic tetrazine cycloadditions for 

cellular imaging and detection. 

N. K. Devaraj, S. A. Hilderbrand, 

R. Weissleder 

187. Chemical probes for PDZ domain-mediated 

interactions: Design, validation, 

and application to the study of Shank3 

PDZ domain dimerization. 

W. S. Iskenderian-Epps, B. Imperiali 

188. Tandem fluorescence imaging of dynamic 

S-acylation and protein turnover. 

M. M. Zhang, L. K. Tsou, G. Charron, 

A. S. Raghavan, H. C. Hang 

189. Predicting accessible target sites for 

trans-splicing ribozymes. D. Meluzzi, 

K. Olson, U. F. Muller, G. Arya 

190. Engineering of cutinase-hydrogenase 

chimera protein. D. M. Stallings 

191. Construction and expression of anti-Tnantigen 

(alpha GalNAc-Ser/Thr)-specific 

MLS128 single chain antibody (scFv) 

genes. H. Ogawa, N. Yuasa, Y. Kusada, 

H. Asanuma, A. Takasaki-Matsumoto, 

Y. Fujita-Yamaguchi 

192. In vitro production of anticarbohydrate 

antibodies: Purification of anti-T-antigen 

(beta Gal1-3GalNAc-Thr/Ser) single chain 

antibodies (scFvs) from inclusion bodies. 

A. Takasaki-Matsuoto, S. Yamaguchi, 

T. Koizumi, N. Yuasa, 


193. Conformational change and ligand 

binding sites in allosteric enzymes. 

S. Mitternacht, I. N. Berezovsky 

194. Site-specific antibody-toxin conjugation 

through a genetically encoded p-acetylphenylalanine. 

J. A. Yin, B. M. Hutchins, 

S. A. Kazane, C. Kim, T. S. Young, 

K. M. Bajjuri, K. Staflin, J. S. Forsyth, 

B. Felding-Habermann, S. C. Sinha, 

V. V. Smider, P. G. Schultz 

195. Site-specific oligonucleotide conjugation: 

Therapeutic and diagnostic applications. 

S. A. Kazane, B. M. Hutchins, 

J. A. Yin, C. Kim, T. S. Young, 

V. M. Smider, P. G. Schultz 

196. Synthetic codon capture for incorporation 

of amino acid analogs in biomaterials. 

I. Wu, H. Carpenter Desai, 

V. P. Conticello 

197. SimCell technology: Solution to high 

throughput (HTP) bioprocess development. 

E. R. Wehling, E. Goel, S. Kumar, 

Y. Wen, Z. Xiao, J. LaPierre, S. Gorfien 

198. Two-photon phosphorescent nanoprobes 

for in vivo microscopy of oxygen. 

E. Roussakis, L. E. Sinks, S. Sakadzˇić, 

D. A. Boas, S. A. Vinogradov 

199. Orthogonal alkynyl-amino acid reporter 

for selective labeling of bacterial proteomes 

during infection. M. K. Grammel, 

M. M. Zhang, H. C. Hang 

200. Cytopathology by optical methods: 

Spectral cytopathology of mucosal tissue. 

K. Lenau, M. Diem, M. Miljkovic, 

B. Bird, J. Schubert 

201. Probing the divergent colchicine site on 

avian erythrocyte tubulin. M. Loew, 

A. R. Blanden, S. Bane 

202. Perceval2: Engineering an ATP:ADP ratio 

sensor for imaging mammalian cells. 

M. Tantama, Y. Hung, J. Berg, G. Yellen 

203. Multiplexed biochemical detection of 

the immunoresponse to dengue fever antigens. 

K. A. Murray, S. Ali, Q. Hanley 

204. Characterization of latent fluorophoreesterase 

pairs for enzymatic assays and 

biological imaging. R. Johnson, 

M. Hedge 

205. Correlated crystallographic and spectroscopic 

studies of metallo- and flavoproteins. 

D. Stoner-Ma, J. M. Skinner, 

A. Héroux, D. K. Schneider, R. M. Sweet, 

A. M. Orville 

206. Discovery of cyclic peptides that bind 

HIV-1 capsid. V. Dewan, T. Liu, K. Chen, 

H. Matsuo, D. Pei, K. Forsyth 

207. Polyoma virology: Potential drug 

screening model against BK virus associated 

nephropathy. C. O. Audu, 

M. Pellegrini, G. Gaidos, L. Wang, 

D. Mierke 

208. Fluorescently labeled prenylated peptides 

for the study of protein prenylation 

in live cells. J. D. Ochocki, 

M. D. Distefano, U. Igbavboa, W. Wood, 

E. V. Wattenberg, E. A. Arriaga 

209. Virus surface remodeling using non-canonical 

substrates. P. S. Banerjee, 

P. Hearing, I. S. Carrico 

210. High-affinity synthetic substrates for 

firefly luciferase with red-shifted light 

emission. R. R. Gadarla, 

W. C. Thompson, S. C. Miller 

211. Modification of DNA nucleosides by diethylpyrocarbonate. 

C. J. Yennie,S.Oh, 

S. Delaney 

212. Near-IR oxazine fluorophores for live 

cell imaging. S. Pauff, S. C. Miller 

213. Probing cellular DNA/protein interactions 

using chromatin DNA rehybridization 

to identify transcription factors of oncogenes. 

H. Zhang, S. K. Morse, 

L. B. McGown 

214. Delivery of sulfonated molecules into 

live cells using esterase-labile sulfonate 

protecting groups. L. Rusha, S. C. Miller 

215. Biomaterials design: Reflectin-mimetic 

protein polymers. H. E. Carpenter Desai, 

B. Young, R. Bartlett 

216. Progress in the application of GIC and 

related matrix/tensor decompositions in 

metabolomics and the exploration of protein/ligand 

interactions. D. A. Snyder, 

L. Alzapiedi, T. Short, P. Vekarya, 

C. Walcott, R. Brüschweiler 

217. Application of hydroxypropyl-�-cyclodextrin 

for the solubility improvement of 

microtubule-targeted drugs. T. I. Chio, 

M. Loew, S. Bane 

218. Developing tropism-modified adenoviral 

vectors using metabolic labeling and 

bioorthogonal conjugation. Y. Oum, 

I. S. Carrico 

219. Direct acylation of carrier proteins with 

functionalized �-lactones. 

J. W. Amoroso, L. S. Borketey, 

G. Prasad, N. A. Schnarr 

220. Synthesis and properties of DNA containing 

rigid nucleosides. H. Yueh,H.Yu, 

C. S. Theile, A. Pal, N. Greco, 

A. T. Horhota, L. W. McLaughlin 

221. Development of antisense agents to image 

iNOS expression. Y. Shen, 

J. A. Taylor 

222. Rapid creation and selection of macrocyclic 

libraries for the modulation of protein-protein 

interactions. W. H. Connors 

223. Introducing bioorthogonal functionalities 

onto lentiviral surface. Y. Chu, 

I. S. Carrico 

224. Computational techniques for generalized 

indirect covariance NMR as relates 

to protein dynamics. T. Short, 

C. Walcott, L. Alzapiedi, P. Vekariya, 

D. Snyder 

225. High-throughput screening assays for 

Pin1 WW and catalytic domains. 

A. Y. Mercedes-Camacho,X.R.Chen, 

F. A. Etzkorn 

226. Tunable carrier protein acylation with Nprotected 

�-Lactams. G. Prasad, 

J. W. Amoroso 

227. Enhanced functional potential of nucleic 

acid aptamer libraries patterned to increase 

secondary structure. K. M. Ruff, 

T. M. Snyder, D. R. Liu 

228. Design of a conditional E. coli auxotroph 

for functional selection of dual nucleoside 

kinase activity. Y. Liu,S.Lutz 

229. Identify the lysine acetylation targets of 

GCN5 by chemical proteomics with click 

chemistry. Z. Zhao 

230. Engineering non-immunogenic second 

generation L-Asparaginase for acute lymphoblastic 

leukemia therapy. 

J. R. Cantor, T. Yoo, E. Stone, 

G. Georgiou 

231. New synthesis of O 2 -POB-dT phosphoramidite 

for incorporation into DNA. 

M. R. Vargas 

232. New family of sensors for detection of 

Zn in biological media. B. Ghosh, 

S. Thyagarajan, A. Moore, 

S. A. Vinogradov 

233. Aromatic dithiols: Increasing the folding 

rate and yield of disulfide containing proteins. 

A. S. Patel,W.J.Lees 

234. Patterning of gene expression using 

light activated RNA interference (LARI). 

S. H. Friedman, P. K. Jain 

235. Hetero-bivalent ligand design for preventing 

allergic responses. B. Bilgicer 

236. Functionalization of thermoresponsive 

hydrogel particles with triazine-based 

molecules. T. N. Ha, A. Patanarut, 

M. Ramanan, B. Bishop 

237. Development of a novel double-diffusion 

gel electrophoresis system for the 

study of mineralization-regulating proteins. 

M. V. Wilson, G. Paulman, 

A. Exstrom, M. Martin, E. Doane, 

E. Wilson 

238. Development of a protein-based system 

for the detection of organophosphates 

using the pH-dependence of enhanced 

green fluorescent protein. 

J. D. Harris, M. Conway, C. M. Adams, 

B. Hounshell, L. G. Puckett 

239. Characterization and applications of 

Helicobacter pylori �1,3-fucosyltransferases. 

C. Besanceney,W.Wang, 

T. Zheng, P. Wu 

240. Melamine and cyanuric acid do not interfere 

with Bradford and Ninhydrin assays 

for protein determination. A. Field, 

J. Field 

241. Efficient syntheses of inducers of antibiotic 

production in Streptomyces bacteria. 

J. B. Morin, J. D. Bailey, J. K. Sello 

242. High throughput screen for small molecule 

haptens binding to an HIV-1 neutralizing 

antibody yields vaccine leads. 

M. J. Caulfield, V. Dudkin, E. A. Ottinger, 

K. L. Getty, P. D. Zuck, R. M. Kaufhold, 

R. W. Hepler, G. B. McGaughey, 

M. Citron, R. C. Hrin, Y. Wang, 

M. D. Miller, J. G. Joyce 

243. FRET-based investigations into poly-arginine 

CPP cellular uptake mechanisms. 

S. R. Emani, S. R. Adams, R. Y. Tsien 

244. Small molecule inhibitors of phosphatidylcholine 

transfer protein (PC-TP)/ 

StarD2: Therapeutic implications for type 

2 diabetes. E. Y. Shishova, G. L. Stahl, 

G. D. Cuny, D. E. Cohen 

245. Strand-displacement activated fluorescent 

PNA probes for detecting iNOS 

mRNA expression. Z. Wang,Y.Shen, 

J. Taylor 

246. Carbon-detected NMR methods for the 

study of intrinsically disordered proteins. 

C. Lawrence, S. A. Showalter 

247. Improved thermoactivity and refoldability 

of fluorinated phosphotriesterase. 

P. J. Baker 

248. DOE approach to develop a cell culture 

process for live RSV vaccine. F. Chen 

249. Synthetic approach to stop codon 

scanning mutagenesis. L. Nie, 


250. Statistical approaches to elucidate the 

determinants of protein stability. 

B. J. Sullivan, V. Durani, T. Nguyen, 


251. Shot gun proteomics based identification 

of cell wall proteins in Aspergillus 

nidulans. N. Ramsubramaniam, 

M. R. Marten 

252. Design and synthesis of glycopolymers 

for exploring multivalent binding events. 

E. Lee 

253. Developing xenon biosensors for cancer 

imaging. Y. Bai, N. Khan, O. Taratula, 

P. Hill, G. Seward, I. J. Dmochowski 

254. Glycomics for probing O-GlcNAc modifications. 

L. Rajaram, I. S. Carrico 

255. Developing a cell based screen for 

functional mutants of the tumor suppressor 

protein p53 DNA binding domain. 

B. Ramasubramanian, T. J. Magliery 

256. Chemical modification of viral-host interactions. 

I. S. Carrico 

257. Mitochondrial sequestration of antineoplastic 

agents: Applications for cancer 

therapy and antimicrobial design. 

M. P. Pereira, S. B. Fonseca, S. O. Kelley 

258. Essential metabolites of M. tuberculosis 

and their molecular mimics. 

J. S. Freundlich, G. Lamichhane, 

S. Ekins, N. Wickramaratne, S. Nolan, 

W. R. Bishai 

259. Allosteric activators of enzymes. 

J. A. Wells, D. A. Wolan, J. A. Zorn, 

D. A. Datta, D. A. Gray, J. A. Sadowsky 


Section A 


Room 253C 

Lilly Award Symposium 

Molecular Imaging 

A. Ting, Organizer, Presiding 

8:30 260. How strong is too strong? Engineering 

ultrastable interactions to proteins 

for imaging and diagnosis. 

C. Chivers, B. Zakeri, L. Holm, C. Chu, 

E. Crozat, V. Moy, D. Sherratt, 

M. Howarth 

9:10 261. Designing quantum dots for biological 

applications. M. G. Bawendi 

9:50 262. Super-resolution fluorescence imaging 

reveals nanoscopic organization of 

subcellular structure. X. Zhuang 

10:30 263. Imaging molecular events at neuronal 

synapses using novel fluorescent 

reporters. A. Y. Ting 





BIOL 

TECH–15

BIOL/BMGT/CARB TECHNICAL PROGRAM 


Section A 


Room 253C 

Gordon Hammes ACS Biochemistry 

Lectureship 

Elucidations of Enzymatic Mechanisms: 

From Gold to Free Radicals 

J. Richard, Organizer, Presiding 

1:30 264. Elucidations of enzymatic mechanisms: 

From gold to free radicals. 

P. A. Frey 

Section A 


Room 253C 

Hammes Lectureship Symposium 

Enzymatic Reaction Mechanisms 

J. Richard, Organizer, Presiding 

2:40 265. Discovery and prediction of functions 

in the enolase superfamily. 

J. A. Gerlt 

3:20 266. Unusual enzymatic transformations 

during phosphonate biosynthesis. 

W. van der Donk 

4:00 267. Isopentenyl diphosphate isomerase: 

Mechanistic studies of the type-2 

enzyme. C. D. Poulter 

4:40 268. Mechanism for catalysis of enzyme-catalyzed 

proton transfer and decarboxylation 

reactions. J. P. Richard 

BMGT 

Division of Business 

Development and 

Management 

16–TECH 

M. Hurrey, Program Chair 

OTHER SYMPOSIA OF INTEREST: 

Best Practices in Identifying, 

Protecting, and Managing Your 

Intellectual Property Portfolio (see 

CHAL, Wed) 

Recent Developments in Intellectual 

Property Law: Patents, Trade 

Secrets, and Trademarks (see CHAL, 

Tue) 

Where’s the Good Stuff? Consumer 

Health Information Social 

Networking, Resources and Services 

(see CINF, Mon) 

ACS Scholars Program Results: 

Stories Highlighting 15 Successful 

Years (see PRES, Mon) 

Genesis of a Chemical Business (see 

PROF, Mon) 

Integrated Marketing for Small, 

Science-Focused Businesses (see 

SCHB, Wed) 

SOCIAL EVENTS: 

Knowledge Café and Networking 

Reception, 3:20-5:00 PM: Sun 

Membership Reception and Book 

Signing, 5:00-7:00 PM: Mon 


BUSINESS MEETING: 

Open Meeting, 12:00-1:00 PM: Sun 


Section A 


Room 208 

Job Growth in This Economy?: Clinical 

Supply Manufacture and Local Economies 

of Scale Cosponsored by CPCD and NESACS 

Financially supported by Vertex 

Pharmaceuticals 

M. Hurrey, Organizer, Presiding 


1:00 1. Pharmaceutical communities: Making 

drugs, protecting jobs, and building a 

local economy of scale. P. Connelly 

1:20 2. LOCAL vs. CENTRAL: A conundrum 

for CDMO’s. D. Mendenhall 

1:40 3. Importance of local communities in 

US job creation. M. Hurrey 

2:00 4. Continuous manufacturing of small 

molecule pharmaceuticals: The ultralean 

way of manufacturing. J. M. Evans, 

A. S. Myerson 

2:20 5. Special challenges in the outsourced 

manufacture of oncology drugs. 

M. J. Kaufman 

2:40 6. Navigating the critical path: Transferring 

technology to a contract manufacturing 

organization (CMO). E. Price 

3:00 7. Development of new technologies 

for contract chemistry providers: Addressing 

the chemistry complexity of the 

evolving NCE landscape. D. J. Coughlin 

3:20 Knowledge Cafe and Reception 


Section A 


Room 254A/B 

Open-source Drug Discovery Cosponsored 

by CPCD, MEDI, and NESACS 

R. Harper, B. Munos, Organizers, Presiding 


8:35 8. Open innovation: A novel approach 

to collaborative research for global good. 

S. K. Brahmachari 

9:05 9. New ecology of collaborative pharmaceutical 

research. C. Austin 

9:35 10. Producing drug innovation on a 

shoestring: Innovation networks for neglected 

diseases. S. Nwaka 


10:20 11. GSK’s approach to open source 

malaria drug discovery. F. Gamo 

10:50 12. Innovating in drug innovation: 

What’s next? A. Bingham 


Genesis of a Chemical Business Sponsored 

by PROF, Cosponsored by BMGT, SCHB, and 

YCC 

Sustaining a Chemical Business with 

Federal Grants & Contracts Sponsored by 

SCHB, Cosponsored by BMGT, PROF, and 

WCC 


Section A 


Room 254A/B 

Open-source Drug Discovery Cosponsored 

by CPCD, MEDI, and NESACS 

R. Harper, B. Munos, Organizers, Presiding 


1:35 13. Compelling economics of open innovation 

for drug R. B. Munos 

2:05 14. OSDD: Making open innovation 

work. Z. Thomas 

2:35 15. Lilly’s phenotypic drug discovery 

initiative. M. Pineiro-Nunez 

3:05 16. Distributed drug discovery (D3): 

Linking basic research and education to 

find drug leads for neglected diseases. 

W. Scott 

3:35 17. Collaborative drug discovery: A 

Platform for transforming neglected disease 

R&D and beyond. S. Ekins 



Section A 


Republic Ballroom B 

Chemistry: The Future-proof Profession 

Cosponsored by CEPA, SCHB ‡ , SOCED, and 

WCC 

C. Duane, Organizer, Presiding 


8:10 18. Once a chemist, always a chemist? 

N. R. Gray 

8:40 19. From chemistry to finance to philanthropy: 

An unplanned journey. 

S. C. Tang 

9:10 20. Love food as well as chemistry? 

Combining passions with chemistry for a 

successful career. C. Fisher 

9:40 21. Business development: A viable career 

path for chemists. B. Chaloner-Gill 

10:10 22. What sustainability means to me. 

M. A. Cavanaugh 

10:40 23. A chemist’s tale: Research to 

global environmental consulting. 

J. H. Exner 

11:10 24. Engineering and chemistry: Miscible, 

energetic, explosive? A. Lombard 


Section A 


Republic Ballroom B 


Cosponsored by CEPA, SCHB ‡ , SOCED, and 

WCC 

C. Duane, Organizer, Presiding 


2:05 25. A chemical education: Gaining 

common skills for uncommon opportunities! 

B. Lawlor 

2:35 26. A chemist ’s skills lead to success 

in the non-profit sector. J. Stoner 

3:05 27. Chemists without laboratory borders: 

Alternative careers in research administration. 

P. K. Dorhout 

3:35 28. Scientific publishing: The (not so) 

accidental profession. B. D. Crawford 

4:05 29. With a foundation of chemistry anything 

is possible! C. Martin 



at the Table Sponsored by PRES, 

Cosponsored by BMGT, CMA, COMSCI, JSD, 

PROF, and YCC 


Town Hall Forum & Poster Session 

Sponsored by PROF, Cosponsored by BMGT, 

SCHB, and YCC 


Section A 


Room 208 

Open Innovation: The New Paradigm for 

Competitive Advantage Cosponsored by 

NESACS Financially supported by BASF 

D. Daly, V. Bornemann, Organizers 

A. Loaiza, Presiding 


9:05 30. Implementing open innovation: 

Road warrior or road kill, it’s your choice. 

G. Slowinski 

9:45 31. Bringing sustainability to open innovation. 

M. Mascianica 

10:15 32. Manage your IP well to win the 

open innovation race. R. P. Taylor 

10:45 33. InnoCentive’s open innovation 

rapid adoption methods and practices 

(ONRAMP) program. G. Eichler 

11:15 34. Open innovation for long term 

projects. H. Guan 

11:45 35. Identifying disruptive opportunities 

in the materials marketplace: An example 

from the conformal barrier coatings 

market. E. M. Yokley, C. Hollinsed 


Section A 


Room 208 

Open Innovation: The New Paradigm for 

Competitive Advantage Cosponsored by 

NESACS Financially supported by BASF 

D. Daly, V. Bornemann, Organizers 

A. Loaiza, Presiding 

2:00 36. Do organizations continually need 

to explore, test and experiment with new 

business models, in the same way they 

do with new products and technologies 

today? S. Kaplan 

2:25 37. Open innovation and the faculty entrepreneur: 

Opportunities and perils. 

R. D. Rogers, D. T. Daly, G. Gurau 


CARB 

Division of Carbohydrate 

Chemistry 

T. Lowary, Program Chair 


Wolfrom-Isbell-New Investigator 

Award Dinner: Mon 


Section A 


Room 251 

Wolfrom-Isbell-New Investigator Award 

Symposium 

G. Eggleston, Organizer 

T. Lowary, Organizer, Presiding 


9:20 1. Developing an enzymatic approach 

to synthesize heparan sulfates. J. Liu 

10:00 2. Creating and implementing breakthrough 

medical technology. 

R. S. Langer 

10:40 3. Advances in heparin analysis and 

synthesis. R. J. Linhardt 






consent from ACS.


Section A 


Room 251 

Wolfrom-Isbell-New Investigator Award 

Symposium 

G. Eggleston, Organizer 

T. Lowary, Organizer, Presiding 

1:00 4. Development of a fully synthetic 

three-component carbohydrate-based 

cancer vaccine. G. Boons 

1:35 5. Chemoenzymatic synthesis and antibody 

recognition of HIV-1 V3 glycopeptides. 

L. Wang 

2:10 6. Entirely carbohydrate vaccine constructs 

and their application in probing 

glycoimmunology. P. R. Andreana 


3:00 7. Carbohydrate polymer assembly: 

How do mycobacteria do it? 

L. L. Kiessling 

3:35 8. Lipopolysaccharide transport and 

assembly in Escherichia coli. D. Kahne 

4:10 9. Arrays and automated oligosaccharide 

synthesis. N. L. Pohl 


Section A 


Room 251 

Synthetic Oligosaccharides and 

Glycoconjugates for Preventing and 

Combating Disease 

L. Wang, Organizer 

G. Boons, Organizer, Presiding 


8:05 10. Bioactive N-linked glycopeptides 

and glycoprotein conjugates. 

T. J. Tolbert 

8:25 11. Efficient chemoenzymatic synthesis 

of sialyl Lewis antigens using sialyltransferase 

mutants. X. Chen, G. Sugiarto, 

K. Lau, L. Zhang, S. Huang 

9:00 12. Synthesis of saponin vaccine adjuvants 

for immunotherapy. D. Y. Gin 

9:35 13. Glycosylation engineering of human 

IgG-Fc for functional studies. 

L. Wang 


10:30 14. Chemoenzymatic synthesis of 

GPI-anchored proteins and glycoproteins. 

X. Guo, Z. Wu, Z. Guo 

10:50 15. Cancer relevant epitopes uncovered 

by synthetic mucin glycopeptides. 

S. Nishimura 

11:25 16. Chemical biology of O-GlcNAc 

processing enzymes. D. J. Vocadlo, 

T. M. Gloster, W. F. Zandberg, 

J. E. Heinonen, D. Shen, T. Clark, 

C. Martinez-Fleites, Y. He, G. J. Davies 


Section A 


Room 251 



Combating Disease 

G. Boons, Organizer 

L. Wang, Organizer, Presiding 

1:30 17. Synthesis of a single molecule Lrhamnose-containing 

three component 

vaccine and evaluation of antigenicity in 

the presence of anti L-rhamnose antibodies. 

S. Sarkar,R.S.Talan, 

S. A. Lombardo, K. A. Wall, S. J. Sucheck 

1:50 18. Design of glycoprotein vaccines 

against influenza and other viral diseases. 

C. Wong 

2:25 19. Modular synthesis of heparan sulfate 

oligosaccharides for array development. 

G. Boons 


3:15 20. New targets for antibiotics. 

S. Walker 

3:50 21. Challenges and opportunities in 

natural product glycosylation. 

J. S. Thorson 

4:25 22. Glycomimetic and non-carbohydrate 

inhibitors as probes of the lectin 

DC-SIGN. L. L. Kiessling 




Hall C 

Sci-Mix 

T. Lowary, Organizer 

8:00–10:00 

81, 82, 83, 85, 86, 87, 88, 89, 92, 93, 94, 96, 

97, 98, 100, 101, 102, 103, 104, 105, 106, 

107, 108, 110, 111, 113, 115. See subsequent 

listings. 


Section A 


Room 251 

Petite and Sweet: Glyconanotechnology as 

a Bridge to New Medicines 

X. Huang, Organizer 

J. Barchi, Organizer, Presiding 


8:35 23. Toxicity and functional assessment 

using polysaccharide-based magnetic 

iron oxide nanoparticles for cell labeling 

in vivo and in vitro. Y. Miyamoto, 

Y. Koshidaka, H. Saito, Y. Kagami, 

K. Murase, N. Kaji, H. Yukawa, 

H. Noguchi, H. Iwata, Y. Baba, S. Hayashi 

9:05 24. Glycodendrimers for the mediation 

of cancer cellular aggregation processes. 

M. L. Wolfenden, J. J. Sprenger, 

M. P. Capp, P. Nangia-Makker, A. Raz, 

M. J. Cloninger 

9:35 25. Glyconanoparticles: Multibiofunctional 

nanomaterials for biomedical applications. 

S. Penades 


10:35 26. New glycopeptide-based nanoparticle 

constructions for anticancer therapy. 

J. J. Barchi, R. Brinas, A. Sundgren, 

P. Sahoo, A. Houghten, S. Morey, 

M. Sanford, H. Young 

11:05 27. Functionalized catanionic surfactant 

vesicles: A new approach to carbohydrate 

vaccines. J. Park, L. Rader, 

G. Thomas, D. English, L. Zimmerman, 

D. C. Stein, P. DeShong 

Section B 


Room 252A 

Oligonucleotide Therapeutics Cosponsored 

by ANYL, BIOL, MEDI, and ORGN 

M. Manoharan, Organizer, Presiding 

R. Iyer, Presiding 


8:45 28. Novel synthesis of 2�-deoxynucleoside 

5�-triphosphates without nucleoside 

protection and DNA polymerase recognition. 

J. M. Caton-Williams, M. R. Smith, 

Z. Huang 

9:00 29. Activation of retinoic acid inducible 

gene (RIG-I) by short oligonucleotides. 

R. Iyer, J. Coughlin, S. Padmanabhan, 

B. Korba, S. Myong 

9:15 30. Solid-phase synthesis of 5�-di- and 

tri-phosphates and their modified analogs 

of DNA, RNA and chemically modified 

oligonucleotides. I. Zlatev, 

T. Lavergne, S. Takkellapati, R. Pandey, 

Y. Fan, M. Prhavc, K. Mills, 

G. Kallanthottathil, F. Debart, J. Vasseur, 

F. Morvana, M. Manoharan 

9:30 31. Drug discovery harnessing RNA interference. 

M. Manoharan 

9:45 32. Parallel high throughput synthesis 

of chemically modified 21-27mer siRNA 

sequences. J. Costigan, S. Kuchimanchi, 

S. Shaikh, K. Dufault, J. de Groot, 

R. Meyers 

10:00 33. New developments in the synthesis 

of oligoribonucleotides: Use of dimer/ 

trimer blocks in combination with an 

“ionic tag” soluble support. 

M. R. Hassler, N. M. Reddy, T. Chan, 

M. J. Damha 

10:15 Break 

10:30 34. Advanced process of RNA synthesis. 

A. Mohan 

10:45 35. Novel method for the confirmation 

of siRNA sequence by LC-MS/MS. 

G. Lavine, M. Kretschmer, J. McArdle, 

S. Kuchimanchi, V. Murugaiah, 

M. Manoharan 

11:00 36. Evaluation of Canonical vs. Dicersubstrate 

siRNAs in vitro and in vivo. 

D. Foster, S. Elbashir, S. Kuchimanchi, 

G. Hinkle, W. Cantley, R. Duncan, 

G. Cole, C. Sherill, K. Mills, M. Broberg, 

J. Rollins, K. Charisse, M. Manoharan 

11:15 37. Modulation of thermal stability can 

enhance the potency of siRNA. 

H. Addepalli, M. Meena, C. Peng, 

G. Wang, Y. Fan, K. Charisse, 

K. Jayaprakash, G. Kallanthottathil, 

R. Pandey, G. Lavine, L. Zhang, 

K. Jahn-Hofmann, P. Hadwiger, 

M. Manoharan, M. Maier 

11:30 38. Carbohydrate conjugation to 

siRNA for tissue-specific delivery. 

G. Kallanthottathil, K. Jayaprakash, 

M. Frank-Kamenetsky, G. Wang, T. Lei, 

M. Severgnini, W. Querbes, J. Butler, 

A. Sehgal, T. Nakayama, K. Charrise, 

M. Maier, K. Fitzgerald, M. Manoharan 


Section A 


Room 251 

Petite and Sweet: Glyconanotechnology as 

a Bridge to New Medicines 

X. Huang, Organizer 

J. Barchi, Organizer, Presiding 

1:30 39. Sugar and proteins: Applications of 

bioconjugates. B. G. Davis 

2:00 40. Sialic acid recognition: Particles, 

chips, and cells. R. A. Field 

2:30 41. Functionalized nanoparticle for protein 

detection. C. Lin 


3:30 42. Nanotechnology-based tools for 

the glycomics revolution: Silicon nanophotonic 

carbohydrate biosensors. 

D. M. Ratner 

4:00 43. Targeted glyco-magnetic nanoprobes 

for detection and molecular imaging 

of atherosclerosis. K. El-Boubbou, 

M. Kamat, D. Zhu, R. Huang, G. Abela, 

X. Huang 

4:30 44. Carbohydrates on nanoparticles, 

surfaces and polymers: From basics to 

diagnostics applications. 

P. H. Seeberger 


Section B 


Room 252A 

Oligonucleotide Therapeutics Cosponsored 

by ANYL, BIOL, MEDI, and ORGN 

M. Manoharan, Organizer, Presiding 

S. Srivastava, Presiding 

2:00 45. Efficient synthesis of siRNA-folic 

acid conjugates. R. Pandey, 

M. Jayaraman, A. Borodovsky, D. Butler, 

S. Matsuda, G. Wang, M. Maier, B. Peng, 

M. Solomon, S. Shulga-Morskoy, 

K. Charrise, D. Bumcrot, K. Yucius, 

V. Kotelianski, G. Kallanthottathil, 

M. Manoharan 

2:15 46. Combining 2�-TBDMS and 2�-ALE 

chemistry for on-column site specific 

modifications of RNA. J. G. Lackey, 

R. Johnsson, M. J. Damha 

2:30 47. Synthesis and evaluation of bicyclic 

ketal-based cationic lipids for the delivery 

of siRNA via lipid nanoparticle delivery 

systems. M. Jayaraman, D. Butler, 

L. Eltepu, M. Maier, T. Madden, M. Hope, 

Y. Tam, B. Mui, A. Sprague, A. Akinc, 

S. De, G. Kallanthottathil, M. Manoharan 

2:45 48. Development of a stability-indicating, 

ion-pair RP-HPLC method for separation 

and quantitative determination of 

two siRNA duplexes in a liposome. 

V. Murugaiah, W. Zedalis, G. Lavine, 

K. Charrise, M. Manoharan 

3:00 49. Novel applications of aerosolbased 

detectors for the analysis of nonchromophore, 

multi-lipid, drug delivery 

vehicles. W. Zedalis, M. Kretschmer, 

M. Manoharan 


3:30 50. Optimizing the LAL assay for detection 

of bacterial endotoxin in conjugated 

and formulated siRNAs. 

M. Broberg, K. Mills, K. Charisse, 

W. Zedalis, M. Manoharan 

3:45 51. Conjugation strategies for RNAs 

using copper-catalyzed click chemistry. 

C. Peng, T. Yamada, S. Matsuda, 

H. Addepalli, R. Alam, N. Jayaprakash, 

M. Jayaraman, D. Butler, R. Pandey, 

K. Mills, M. Maier, K. Charrise, 

G. Kallanthottathil, M. Manoharan 

4:00 52. Non-nucleoside building blocks for 

copper-assisted and copper-free click 

chemistry for synthesis of oligonucleotide 

conjugates. K. Jayaprakash,C.Peng, 

T. Yamada, D. Butler, G. Kallanthottathil, 

M. Maier, M. Manoharan 

4:15 53. Solid-support immobilized, reusable 

Cu (I) catalyst for “click reactions” of 

oligonucleotides with ligands. L. Eltepu, 

C. Peng, K. Jayaprakash, T. Yamada, 

M. Jayaraman, G. Kallanthottathil, 

M. Manoharan 

4:30 54. Synthesis of oligo spermine-containing 

oligonucleotides for siRNA delivery. 

S. Matsuda, G. Wang, L. Zhang, 

T. Lei, R. Alam, C. Pang, K. Jayaprakash, 

T. Yamada, D. Butler, 

M. Frank-Kamenetsky, M. Maier, 

K. Charrise, K. Fitzgerald, 

G. Kallanthottathil, M. Manoharan 



Section A 


Room 251 

Recognition of DNA: Recent Advances 


D. Arya, Organizer, Presiding 


8:05 55. Allosteric modulation of DNA by minor 

groove binding polyamides. 

D. M. Chenoweth, P. B. Dervan 





CARB 

TECH–17

CARB TECHNICAL PROGRAM 

8:45 56. Strong and selective molecular recognition 

of the DNA minor groove: Compound 

and DNA chemistry and unusual 

conformational matching. W. Wilson, 

R. Nanjunda, A. Kumar, M. Munde, Y. Liu, 

R. Hunt, D. W. Boykin 


9:35 57. Toward DNA recognition by a Janus 

Wedge approach. L. W. McLaughlin, 

A. Pal, H. Chen, M. Meena 

10:15 58. Recognition of DNA major groove. 

D. P. Arya, L. Xue, S. Kumar 

10:55 59. Identification and cleavage site 

analysis of DNA sequences bound 

strongly by bleomycin. S. M. Hecht 

Section B 


Room 252A 

General Papers Glycobiology 


E. Cioffi, Presiding 


chain-end functionalizable glycopolymer 

and its oriented glyco-macroligand formation. 

S. Narla,X.Sun 

9:20 61. Separation and characterization of 

the glycosaminoglycan components of 

proteoglycans. M. Ly, T. N. Laremore, 

K. Solakyildirim, R. J. Linhardt 

9:40 62. Synthesis of nucleotide activated Lsugars 

from polyols via bioconversion. 

R. D. Woodyer 


10:15 63. Glycomorphology of the pulmonary 

vasculature: Endothelial cell glycocalyx 

and endothelial barrier function. 

E. Cioffi 

10:35 64. Multidimensional glycan arrays for 

enhanced lectin and antibody profiling. 

Y. Zhang, C. Campbell, Q. Li, 

J. Gildersleeve 

10:55 65. Peptide nucleic acids bind 

strongly and sequence selectively to double 

helical RNA. T. T. Zengeya,M.Li, 

E. Rozners 

11:15 66. Post surface function method for 

preparation of liposomal glyco-conjugates. 

H. Zhang, Y. Ma, X. Sun 


Section B 


Room 252A 

General Papers Glycobiology and 

Computation 


S. Graham, Presiding 

1:00 67. Approach to study carbohydratecarbohydrate 

interactions involved in myelin 

using glycolipids assay in microtiter 

plate. J. Zhao,A.Basu 



protein glycopolymer conjugate. 

V. Gruzdys,X.Sun 

2:00 70. Robust analytical development for 

oligonucleotide manufacture. 

I. Roymoulik 


2:35 71. Glycomics studies on central nervous 

system. F. Zhang, Z. Liu, 

K. Solakyildirim, D. Pu, R. J. Linhardt 

2:55 72. Computational studies on the interactions 

of mannose with DOPC and 

POPC phospholipids. P. R,G.S 

3:15 73. Optimizatin of analysis of glycosaminoglycans 

in biological samples. 

B. Li, R. J. Linhardt 

3:35 74. Conformational analysis of nucleosides 

and nucleotides: PSEUROT 2010. 

S. M. Graham 

18–TECH 


Section A 


Room 251 


D. Arya, Organizer, Presiding 

1:30 75. Role of DNA topography in recognition 

by proteins and small molecules. 

T. D. Tullius 

2:10 76. Selective modulation of DNA polymerase 

activity by fixed-conformation nucleoside 

analogs. M. Egli, R. L. Eoff, 

V. E. Marquez, F. P. Guengerich 

2:50 77. Structural mechanisms underlying 

DNA replication and human DNA mismatch 

repair. L. S. Beese, 

E. McSweeney, P. L. Modrich, J. Orans, 

Q. Tseng, W. Wang 


3:45 78. Manipulating the electrostatic potential 

in the DNA grooves: Effect on thermodynamic 

stability, ion binding, hydration 

and structure. B. Gold 

4:25 79. Sequence-dependent recognition 

of minor groove width. B. Honig 


Section A 


Hall C 



8:00–10:00 

80. Glycosylation of substituted 4H-1,2,4triazole-3-thiol. 

E. H. El Ashry 

81. Expression and characterization of enzymes 

for bioenzymatic synthesis of heparin. 

P. Paul, W. Zhao, R. Linhardt, 

J. Dordick, J. Liu 

82. Catalytic conversion of biomass-derived 

carbohydrates to useful chemicals in one 

step. W. Yang,A.Sen 

83. Behaviour of polysaccharide aggregates 

in asymmetrical field-flow fractionation 

and size-exclusion chromatography. 

L. Pitkänen, M. Tenkanen, P. Tuomainen 

84. Key new observations in the synthesis of 

thiosialosides. I. F. Oliveira, G. R. Morais, 

B. R. Springett, R. A. Falconer 

85. Synthesis and structural optimization of 

antifungal kanamycin B analogs. 

M. Y. Fosso, Y. Kawasaki, S. Shrestha, 

J. Takemoto, T. C. Chang 

86. E. coli K5 heparosan production for bioengineered 

heparin. Z. Wang,M.Ly, 

F. Zhang, Z. Zhang, J. S. Dordick, 

R. J. Linhardt 

87. Stochastic simulation of lectin microarrays 

with nanosensor transducers: Potential 

platforms for optimal, high-throughput 

screening and profiling of glycoproteins. 

N. F. Reuel, J. Ahn, M. S. Strano 

88. Evaluation of different thioesters for glycocluster 

synthesis applying native 

chemical ligation. J. W. Wehner, 

T. K. Lindhorst 

89. NMR for structure elucidation of commercially 

available heparin polysaccharides. 

K. Solakyildirim, S. A. McCallum, 


90. Syntheses of C-5-spirocyclic C-glycoside 

SGLT2 inhibitors. B. A. Thuma, 

V. Mascitti, R. P. Robinson, C. Préville, 

M. R. Reese, R. J. Maguire, C. L. Carr, 

M. T. Leininger, A. Lowe, C. M. Steppan 

91. Co-axial cellulose nanofibers for electrical 

applications. M. Miyauchi, J. Miao, 

T. J. Simmons, J. S. Dordick, 


92. Study on the relative reactivity of glycosyl 

acceptors in the glycosylations of 

2-Azido-2-deoxy-galactosides. 

J. Kalikanda,Z.Li 

93. Synthesis of tailored glycoconjugates for 

the precise detection of pathogens. 

A. A. Kulkarni, S. S. Iyer 

94. Structure-activity studies of synthetic 

glycophosphatidylinositol anchored proteins. 

C. V. Christianson, 

P. H. Seeberger 

95. Chemoenzymatic synthesis of heparan 

sulfate. R. Liu, J. Liu, Y. Xu 

96. Synthesis of a fluorous-tagged disaccharide 

for the enzymatic preparation of heparin 

oligosaccharides. S. Masuko, 

S. Bera, R. J. Linhardt 

97. Preventing the transmission of Plasmodium 

falciparum through the inhibition of 

malaria protein binding to placental chondroitin 

sulfate A. J. M. Beaudet, 

L. J. Mansur, B. Yang, F. Zhang, 


98. Real-time assessment of the morphological 

change of cellulose in response to 

enzymatic treatment. C. Nguyen 

99. Chemoselective glycosylation of hemoglobin 

as a potential oxygen therapeutic. 

T. J. Styslinger, N. Zhang, A. F. Palmer, 

P. G. Wang 

100. Immobilization of enzymes relevant to 

bioengineered heparin synthesis. 

E. R. Sterner, R. J. Linhardt, 

J. S. Dordick, J. Liu, F. Zhang, W. Zhao, 

P. Paul, J. Martin 

101. Analyses of anti Tn-antigen MLS128 

monoclonal antibody binding to two or 

three consecutive Tn-antigen clusters by 

surface plasmon resonance (SPR) and 

NMR. A. Takasaki-Matsumoto, 

S. Hanashima, A. Aoki, Y. Yamaguchi, 

R. Sato, H. Kawakami, M. Mizuno, 


102. Modular glycoconjugate tool set for assembly 

and presentation of multivalent 

carbohydrate ligands on surfaces. 

I. Abia, B. Sanders, M. D. Best, 

D. C. Baker 

103. Analysis of the absorption of low molecular 

weight heparin in human umbilical 

cord tissue as a model for the prevention 

of cancer metastasis. A. M. Weyers, 

T. Sudha, B. Yang, B. Li, M. Takieddin, 

F. Zhang, S. A. Mousa, R. J. Linhardt 

104. Synthesis and biological evaluation of a 

Gal(�1-2)GalCer analog. Y. Liang, 

A. R. Howell 

105. Thiol-click chemistry approach to glycomimetics: 

Novel stereoselective synthesis 

of (1-3)-S-thiodisaccharides. 

Z. J. Witczak, I. Bak-Sypien 

106. High-throughput glycoarray for monitoring 

immune responses to a cancer 

vaccine. C. Campbell,Y.Zhang, 

O. Ludek, D. Farnsworth, J. Gildersleeve 

107. NMR spectroscopic studies of APF: A 

small glycopeptide possessing potent 

antiproliferative activity. K. M. Adams, 

P. Kaczmarek, S. K. Keay, J. J. Barchi, Jr 

108. Structural and quantitative analysis of 

disaccharides using CE with LIF detection. 

Y. Chang, T. Laremore, F. Zhang, 


109. Development of a novel cancer vaccine 

based on multivalent presentation of tumor-associated 

carbohydrate antigens 

on gold nanoparticle scaffolds. 

R. P. Brinas, A. Sundgren, M. Maetani, 

O. Abbudayyeh, H. A. Young, M. Sanford, 

J. J. Barchi 

110. Carbon nanotubes and chitosan as 

possible scaffolds for bone tissue regeneration. 

J. Stone, Y. Olusanya, W. Jones, 

P. Traisawatwong, M. Stewart, 

C. Kelly-Brown, L. Carson, A. Oki, 

E. C. Regisford 

111. Biosynthesis of heparin by metabolic 

engineering of Chinese hamster ovary 

cells. L. Gasimli, J. Baik, S. Sharfstein, 


112. Purification strategies for separation of 

capsular polysaccharide from fermentation 

broth. U. Bhaskar,Z.Wang, 

F. Zhang, J. S. Dordick, R. J. Linhardt 

113. Design, synthesis, and characterization 

of sulfated N-aryl aminoglycosides. 

A. M. Fenner,R.J.Kerns 

114. Photo-click immobilization of carbohydrates 

on polymeric surfaces: An effortless 

method to functionalize surfaces for 

biomolecular recognition studies. 

O. Norberg,L.Deng,M.Yan, 

O. Ramström 

115. On-line microflow high-performance liquid 

chromatography with nano-electrospray 

ionization mass spectrometry for 

heparan sulfate disaccharide analysis. 

B. Yang, K. Solakyildirim, J. G. Martin, 

T. Laremore, R. J. Linhardt 


Section A 


Room 251 

General Papers Synthetic Chemistry 


C. Marzabadi, Presiding 

8:45 116. De novo synthesis of a 2-acetamido-4-amino-2,4,6-trideoxy-D-galactose 

(AAT) building block for the preparation 

of the zwitterionic polysaccharide A1 

(PS A1) repeating subunit of Bacteroides 

fragilis. R. Pragani, P. H. Seeberger 

9:05 117. Automated solution-phase synthesis 

of alpha-galactosides. 

R. Roychoudhury,N.L.Pohl 

9:25 118. Study of the protecting group participation 

and stereoselectivity of 

2-azido-2-deoxygalactopyranosyl donors. 

Z. Li 

9:45 119. Reactions of glycals with orthosubstituted 

benzanilines. 

C. H. Marzabadi, K. Kochalski 

10:05 120. Novel glycolipids in CD1d-mediated 

immunity: Synthesis of new agonists 

for CD1d. J. Wojno, J. Jukes, P. Polzella, 

V. Cerundolo, L. R. Cox, G. S. Besra 


10:40 121. Automated synthesis of systematic 

di- and tri-saccharide libraries. 

X. Liu, B. Y. Collet, S. Tang, 

S. K. Nagappayya, R. Roychoudhury, 

X. Li, H. Edwards, N. L. Pohl 

11:00 122. Probe of activated glycoside 

building block stability for automated solution-phase 

synthesis of carbohydrate libraries. 

B. Y. Collet, X. Liu, S. Tang, 

H. Edwards, S. Nagappayya, L. Liu, 

N. L. Pohl 

11:20 123. Synthesis of unnatural glycosaminoglycans 

and evaluation of their interaction 

with proteins. S. Bera 

11:40 124. Grafting of cellulose esters by 

single electron transfer living radical polymerization 

Set-LrP. P. Vlcek,V.Raus, 

M. Janata, J. Kriz, P. Latalova, E. Cadova 


Section A 


Room 251 


Polysaccharides 


R. Narain, Presiding 

1:00 125. Solvation and hydrolysis of cellulose 

with transition metal salts. V. Viner, 

B. G. Harvey, R. L. Quintana 

1:20 126. Chemical derivatization of glucan 

microparticles for targeted delivery. 

E. R. Soto, G. R. Ostroff 






consent from ACS.

1:40 127. Degradation mechanism and crystal 

structure change of cellulose during 

TEMPO-NaOCl-NaBr selective oxidation 

and its biomedical application as hemostatics. 

B. Sun,W.Han,W.Wang,C.Gu, 

J. Ma, M. Zhu, B. Liang 

2:00 128. Temperature-dependent chaincollapse 

behavior of cellulose ethers in 

dilute solution. H. Shen, R. Sammler, 

D. Redwine, D. Meunier, M. Brackhagen 

2:20 129. Improving dyeability of nylon wiith 

nano-chitosan. H. Wong, H. Lui, L. Liu, 

Y. Szeto 

2:40 130. Modeling of Congo red adsorption 

on a surface of crystalline cellulose using 

molecular dynamics. M. Wyszomirski, 

K. Mazeau 


3:15 131. Evaluation of glycopolymers and 

glyconanoparticles for biosensing and 

gene delivery applications. R. Narain, 

M. Ahmed 

3:35 132. Application of data mining techniques 

to differentiate glucose-containing 

disaccharide ions fragmented via infrared-multiple 

photon dissociation using 

tunable lasers and Fourier transform ion 

cyclotron resonance mass spectrometry. 

S. Stefan, M. U. Ehsan, A. Aksenov, 

V. Boginksi, B. Bendiak, J. Eyler 

3:55 133. Influence of the structure of phosphoramidates 

on flame retardant properties 

of cellulose. V. Salimova, S. Gaan, 

J. Grützmacher 

4:15 134. High-flux thin-film nanofibrous 

composite ultrafiltration membranes containing 

cellulose barrier layer. H. Ma, 

B. S. Hsiao, B. Chu 

4:35 135. Discovery of 6-deoxy-D-altrose in 

nature. M. Tako, T. Yogi, K. Izumori, 

H. Ishida, M. Kiso 

CATL 

Division of Catalysis 

Science and Technology 

(Probationary) 

B. Zhou, Program Chair 


Luncheon: Mon 

Dinner: Tue 


Section A 


Room 206B 

Operando and In Situ Spectroscopy 

X-ray Methods Cosponsored by COLL, 

FUEL, and PETR 

P. Stair, Organizer, Presiding 

9:00 1. Recent developments in the application 

of in situ XAFS studies to catalysis 

characterization at UOP. S. R. Bare, 

S. D. Kelly, G. E. Mickelson, N. Greenlay, 

B. Ravel 

9:30 2. Liquid phase operando X-ray absorption 

spectroscopy (XAS): Glycerol reforming 

over a PtMo/C catalyst. 

B. R. Fingland, P. J. Dietrich, 

F. H. Ribeiro, N. Guo, J. A. Dumesic, 

J. T. Miller 

10:00 3. Reactivity of surface species 

probed by in situ X-ray absorption techniques. 

S. Bordiga, G. Agostini, 

D. Gianolio, E. Groppo, C. Lamberti 

10:30 4. Structural rearrangements of surface 

vanadia species during oxidative dehydrogenation 

of propane: In situ UV-vis 

and NEXAFS studies. G. Tzolova-Mueller, 

M. Haevecker, J. Kroehnert, P. Gruene, 

T. Wolfram, R. Schloegl, A. Trunschke 

11:00 5. In-situ spectroscopic investigation 

of the catalytic oxidative valorization of 

lignocellulosic biomass. J. Zakzeski, 

P. C. Bruijnincx, B. M. Weckhuysen 

11:20 6. Ambient pressure XPS for spatial 

and angular resolution of operational heterogeneous 

catalysts and electrochemical 

systems. M. E. Grass, P. G. Karlsson, 

C. Zhang, F. El Gabaly, A. H. McDaniel, 

S. H. DeCaluwe, F. Aksoy, B. S. Mun, 

G. S. Jackson, Z. Hussain, H. Bluhm, 

K. F. McCarty, B. Eichorn, Z. Liu 

11:40 7. In situ hard X-ray/infrared studies of 

the dynamic behviour of heterogeneous 

catalysts. M. A. Newton, M. Di Michiel, 

M. Fernandez-Garcia, P. J. Chupas, 

K. W. Chapman 

12:00 8. Evidence for the surface catalysed 

Suzuki-Miyaura reaction over Pd nanocatalysts: 

An operando XAS study. 

A. F. Lee, P. J. Ellis, I. J. Fairlamb, 

K. Wilson 


Section A 


Room 206B 


Raman and Infrared Spectroscopy 

P. Stair, Organizer 

J. Miller, Presiding 

2:00 9. Operando and in situ Raman spectroscopy 

during catalytic reaction in the 

liquid phase and for solid-gas reactions. 

M. A. Bañares, V. Calvino-Casilda, 

E. Rojas-Garcia, R. Lopez-Medina, 

O. Guerrero-Perez 

2:30 10. Catalysts characterization using 

operando Raman spectroscopy. G. Li, 

D. Hu, G. Xia, C. Zhang, D. Kim, 

C. H. Peden 

2:50 11. Investigation of methane aromatization 

over Mo/ZSM-5 catalysts with 

operando spectroscopy and DFT calculations. 

Y. Dai, J. Jehng, S. G. Podkolzin, 

B. Modak, I. E. Wachs 

3:20 12. Ultraviolet-Raman studies of coke 

formation during hydrocarbon conversion 

over a zeolite catalyst. P. Allotta, 

B. Dunnington, P. C. Stair 

3:50 13. Surface dependence of defect sites 

on ceria nanocrystals probed by in situ vibrational 

spectroscopy. Z. Wu,M.Li, 

S. H. Overbury 

4:20 14. In-situ infrared absorption spectroscopy 

characterization of the adsorption 

properties of catalysts made using 

novel synthetic techniques. I. Lee, 

M. A. Albiter, J. Hong, Y. Yin, F. Zaera 

4:50 15. Revealing the zeolite synthesis 

mechanisms by in situ UV Raman spectroscopy. 

F. Fan, Z. Feng, C. Li 

5:10 16. Identification of hydroperoxy species 

as reaction intermediates in the electrochemical 

evolution of oxygen. B. Yeo, 

S. L. Klaus, P. N. Ross, R. A. Mathies, 

A. T. Bell 

Nanotech for Sustainable Energy and Fuels 

Catalyst and Nanomaterials Sponsored by 

FUEL, Cosponsored by CATL (probationary) 


Section A 


Room 206B 


EPR and Others 


S. Bare, Presiding 

9:00 17. Advanced access to structure-reactivity 

relationships in vanadium containing 

oxidation catalysts by novel in-situ-EPR 

techniques. C. Janke, R. Stö�er, 

W. Herrmann, J. K. Jabor, A. Brückner 

9:30 18. EPR spectroscopy on model catalysts. 

T. Risse 

10:00 19. Mechanism and active site of the 

Phillips’ ethylene polymeirzation catalyst. 

A. E. Stiegman, C. Brown, A. Lita, 

M. Mileham, M. R. Crosswhite, 

J. Krystek, R. Fu 

10:30 20. In-situ time-resolved DXAFS and 

Raman spectroscopy for selective ethanol 

oxidation on supported vanadium 

catalysts. M. Tada, N. Ishiguro, 

D. Murakami, Y. Iwasawa 

10:50 21. In situ monitoring of reaction pathways 

on model catalyst surfaces by infrared 

spectroscopy: Vinyl acetate synthesis. 

W. Tysoe 


11:30 23. Correlation between structure, 

acidity and catalytic performance of 

WO x/Al 2O 3 catalysts. X. Chen, G. Clet, 

K. Thomas, M. Houalla 

11:50 24. Fe-containing micro- and mesoporous 

materials in heterogeneous catalysis: 

Elucidating the structure–activity 

relationship with in situ Raman spectroscopy. 

Z. Feng, H. Xia, J. Wang, C. Li 


Section A 


Room 206B 


Imaging and Technique Development 


I. Wachs, Presiding 

2:00 25. Spatially resolved reactor profiles 

as novel tool for in situ catalysis research. 

R. Horn, O. Korup, S. Mavlyankariev, 

M. Geske, R. Schloegl 

2:30 26. Solutions to local structural problems 

in catalysis. P. J. Chupas 

3:00 27. Solving the structure of nanocatalysts 

with sub-second time resolution. 

A. I. Frenkel, J. C. Hanson 

3:30 28. Catalytic reactions on engineered 

nanoparticles studied by sum frequency 

generation vibrational spectroscopy and 

gas chromatography. C. Aliaga, 

G. Somorjai, C. Tsung, S. Alayoglu 

3:50 29. Combined diffraction and absorption 

tomography for catalyst body profiling 

during preparation and catalytic reaction. 

A. M. Beale, S. D. Jacques, 

M. G. O’Brien, L. Espinosa-Alonso, 

M. di’Michel, T. Sochi, P. Barnes, 

B. M. Weckhuysen 

4:10 30. Development of an operando transmission 

Fourier Transform Infrared (FTIR) 

catalysis reactor system and investigation 

of a steady state isotopic transient kinetic 

analysis on water gas shift (WGS) reaction. 

J. Wang, W. N. Delgass, F. H. Ribeiro 

4:30 31. Chemical imaging of catalytic reactions 

in zeolites with CARS microscopy. 

D. Mores, B. M. Weckhuysen, 

A. N. Parvulescu, G. Rago, K. F. Domke, 

J. P. Day, M. Bonn 

4:50 32. Relationship between trap states 

and photocatalytic performances of TiO2 studied by in-situ time-resolved photoluminescence 

spectroscopy. X. Wang, 

S. Shen, Z. Feng, C. Li 

AES Science and Technology 

Hydrogen as a Resource Sponsored by 

COMSCI, Cosponsored by CATL 

(probationary), FUEL, I&EC, INOR, and PMSE 

Heterogeneous Catalysis for Environmental 

and Sustainable Energy Applications 

General Environmental Catalysis Sponsored 

by ENVR, Cosponsored by CATL 

(probationary) 


Section A 


Hall C 

General Catalysis Cosponsored by COLL, 


B. Zhou, Organizer 

CARB/CATL 

8:00–10:00 

33. Allenylidene complexes of group 10 transition 

metals: Synthesis and catalytic 

properties. E. Wuttke, F. Kessler, 

H. Fischer 

34. Tailored Pd nanocatalysts for the selective 

aerobic oxidation of allylic alcohols. 

C. V. Ellis, A. F. Lee, K. Wilson, T. H. Lim, 

M. A. Newton, C. M. Parlett 

35. Propane combustion characteristics over 

supporting platinum on zirconia-incorporated 

silica. K. Song,G.Seo,M.Kim 

36. Pd nanoparticle-doped mesoporous silicates 

for the selective aerobic oxidation 

of allylic alcohols. C. M. Parlett, 

A. F. Lee, K. Wilson, D. W. Bruce 

37. Environmentally benign chemical fixation 

of CO 2 under solvent-free conditions. 

L. He,A.Liu,J.Gao,Z.Yang, 

S. Chanfreau 

38. Synthesis and application of Platinum 

nanoparticles-coated polystyrene nanosphere 

catalysts in enantioselective hydrogenation. 

A. M. Kulkarni,B.Török, 

R. DeSousa, K. Satuluri, M. Török, 

G. K. Surya Prakash 

39. Au@SiO 2 core-shell nanoparticles for the 

selective aerobic oxidation of alcohols. 

A. F. Machado, A. F. Lee, K. Wilson 

40. Dinuclear zinc catalysts for the copolymerization 

of CO 2 and epoxides. 

M. W. Lehenmeier, C. Bruckmeier, 

P. Deglmann, A. Ott, B. Rieger 

41. Copper colloid based catalysts in methanol 

synthesis. S. Wang, J. Grunwaldt, 

C. Weidenthaler, O. Trapp, S. Vukojević, 

A. Kempter, F. Schüth 

42. Oxidation of alcohols catalyzed by heterogeneous 

polyoxometalate based organic–inorganic 

hybrid catalyst with hydrogen 

peroxide. Y. Ding, Z. Zhang, B. Ma 

43. Effect of prolonged exposure to organic 

solvents on the motion of a nitroxide spin 

label bound to the active-site of subtilisin 

Carlsberg. V. Bansal, Y. Delgado, 

M. Legault, G. Barletta 

44. Trapping a cubic tetramaganese cluster 

with both organic carboxylic acids and an 

inorganic polyoxometalate. J. Song, 

C. L. Hill, X. Fang 

45. Immobilization of platinum nanoparticles 

on spherical polyelectrolyte brushes and 

their high catalytic activity. S. Wu, 

T. Siepenkoetter, L. Li, X. Guo 

46. Atomic-scale investigations of catalyst 

core-shell nanoparticles using 3D atom 

probe. P. A. Bagot, T. Li, E. A. Marquis, 

E. S. Tsang, G. D. Smith 

47. Correlation of XRD, SAXS and electroactive 

surface area analyses with catalyst 

performance. M. Webber, L. Li, M. Bates, 

J. Bedard, E. S. Smotkin 

48. Microwave-assisted hydrothermal synthesis 

of cryptomelane-type octahedral 

molecular sieves (OMS-2) and their catalytic 

studies. H. Huang, S. Sithambaram, 

S. L. Suib 

49. Modeling selective CO oxidation over Pt 

based catalysts using modular neural 

network. M. Gunay, R. Yildirim 

50. Room-temperature synthesis of carbonsupported 

PtIr nanoparticles as direct liquid 

fuel anode catalysts. S. Hwang, 

S. Yoo, T. Lim, S. Kim 





TECH–19

CATL/CHED TECHNICAL PROGRAM 

51. Synthesis of ternary Pt-Fe-Co alloy catalysts 

toward oxygen reduction reaction. 

S. Hwang,S.Yoo,T.Lim,S.Kim 

52. Catalytic nanobowls synthesized using 

atomic layer deposition. N. A. Ray, 

R. P. Van Duyne, P. C. Stair 

53. Kinetics of adsorption and reaction of hydrocarbon 

molecules on ordered Sn/ 

Pt(111) alloy surfaces. L. A. Welch, 

B. E. Koel 

54. Synthesis, characterization, and catalytic 

applications of ruthenium(II) carbene-pincer 

complexes. O. V. Ozerov, R. Ramirez 

55. Improving cellulase compositions for 

lignocellulose hydrolysis. T. Shaghasi 

56. Synthesis of transition metal and transition 

metal alloy nanoparticles as catalysts. 

Y. Kang, C. B. Murray 

57. Oxidation of 2,3,6-trimethylphenol (TMP) 

using manganese oxide octahedral molecular 

sieves (OMS-2). N. N. Opembe, 

C. K. King’ondu, S. L. Suib 

58. Catalytic reactions of silica gel supported 

titanium oxide with aryl ketones. 

A. Apblett, R. Cannon 

59. In situ micro-spectroscopy study on the 

coke formation during the methanol-toolefin 

conversion on individual H-ZSM-5 

crystals. D. Mores, B. M. Weckhuysen 

60. Acid catalyzed synthesis of fatty acid 

methyl esters from waste greases. 

H. L. Ngo, H. Vanselous, W. Lin 

61. Influence of Nafion® on adsorption of 

carbon monoxide on platinum catalysts. 

A. P. Yakaboski, E. Smotkin 

62. High performance NH 3-SCR zeolite zatalysts 

for treatment of NOx in emissions 

from diesel engine. X. Yang, C. K. Narula 

63. Mono- and multilayer surface alloys as 

electrocatalysts. X. Yang, J. Fu, B. E. Koel 


Section A 


Room 206B 

Surface Science of Catalysis Cosponsored 

by COLL, FUEL, and PETR 

G. Bhargava, E. I. Altman, Organizers, 

Presiding 


9:05 64. Fine tuning modifier-substrate interactions 

in the asymmetric hydrogenation 

of ketoesters on chirally modified 

platinum. S. Lavoie, 

V. Demers-Carpentier, Y. Dong, 

J. Brunelle, G. Goubert, G. Mahieu, 

P. H. McBreen 

9:25 65. Density functional theory study of 

defects in magnetite. T. A. Manz, 

D. S. Sholl 

9:45 66. Inverse oxide/metal catalysts: Surface 

science models for fundamental 

studies in catalysis. J. Hrbek 

10:15 67. Interaction of oxygen adatom and 

carbon monoxide on TiO2(110) surface. 

J. Lee, Z. Zhang, X. Deng, D. Sorescu, 

J. T. Yates, C. Matranga 

10:35 68. Surface science models in catalysis: 

Thin oxide films as supports and reactive 

surfaces. M. Sterrer, 

S. Shaikhutdinov, H. Freund 

11:05 69. Size matters: Catalysis by gold. 

R. M. Lambert 

11:35 70. Atomic-scale view of metal alloy 

surface chemistry. C. Sykes 

12:05 71. Low-temperature hydrogenation 

catalysts: Theoretical predictions and experimental 

verification. J. G. Chen 

12:35 72. Atomic-scale engineering of Pt alloy 

catalyst surfaces using controlled oxidation-reduction 

cycles. T. Li, P. A. Bagot, 

E. A. Marquis, E. Tsang, G. D. Smith 

Fuel Cell Chemistry and Operation II 

Membranes Sponsored by FUEL, 

Cosponsored by CATL (probationary) 

20–TECH 




General Environmental Catalysis Sponsored 

by ENVR, Cosponsored by CATL 



Section A 


Room 206B 

Surface Science of Catalysis 

E. I. Altman, Organizer 

G. Bhargava, Organizer, Presiding 


2:05 73. Single molecule imaging of manganese 

porphyrin oxidation reactions in a 

liquid-STM. D. den Boer, M. Li, T. Habets, 

P. Iavicoli, D. B. Amabilino, R. J. Nolte, 

A. E. Rowan, S. Speller, S. De Feyter, 

J. A. Elemans 

2:25 74. Chemical imaging and interaction 

quantification for catalytic materials using 

high-resolution atomic force microscopy. 

U. D. Schwarz, M. Z. Baykara, 

T. C. Schwendemann, H. Mönig, 

E. I. Altman 

2:55 75. Autocatalytic reduction of a Cu2O/ Cu(111) surface by CO: STM, XPS and 

DFT studies. F. Yang, Y. Choi, P. Liu, 

J. Hrbek, J. A. Rodriguez 

3:15 76. Chiral seeding in molecular surface 

assemblies studied by UHV-STM. 

F. Masini, N. Kalashnyk, M. M. Knudsen, 

K. V. Gothelf, F. Besenbacher, 

E. Lægsgaard, T. R. Linderoth 

3:35 77. Combined ambient pressure XPS, 

high pressure STM, and DFT study of the 

in situ oxidation of Pt(110) and the reaction 

of gas phase CO with two distinct 

surface oxygen species. M. E. Grass, 

D. Butcher, Z. Zeng, F. Aksoy, H. Bluhm, 

B. S. Mun, G. A. Somorjai, W. Li, Z. Liu 

3:55 78. Differential charging in XPS for 

nanomaterial and organic layer characterization. 

S. L. Bernasek 

4:25 79. Orientation and structure of hydrocarbon 

adsorbates at catalytically relevant 

vapor/oxide and liquid/oxide interfaces 

probed by sum frequency generation. 

A. M. Buchbinder, E. Weitz, F. M. Geiger 




Photocatalysis Sponsored by ENVR, 



Section A 


Room 206B 


G. Bhargava, Organizer 

E. I. Altman, Organizer, Presiding 

9:00 80. Recent advances in the synthesis 

of Au-Pd colloids in the preparation of 

very active selective oxidation catalysts. 

J. A. Lopez-Sanchez, N. Dimitratos, 

J. M. Anthonykutty, A. F. Carley, 

R. C. Tiruvalam, A. A. Herzing, C. J. Kiely, 

D. W. Knight, G. J. Hutchings 

9:20 81. Vibrational spectroscopic study of 

low temperature CO oxidation over Au/ZnO 

nanoparticles. H. Noei, M. Muhler, Y. Wang 

9:40 82. Mechanistic studies on the nucleophilic 

coupling reactions on gold surface. 

B. Xu, R. J. Madix, C. M. Friend 

10:10 83. Atomic-level insight into nanogold 

catalysis viewed from the perspective of 

Au n superatoms. Y. Zhu 

10:30 84. First-Principles and experimental 

studies of the sub-nanomenter platinum 

atoms supported on �-alumina. 

C. K. Narula, X. Chen, M. G. Stocks, 

M. DeBusk, L. F. Allard 

10:50 85. Methanol reactions over metals 

(Pd, Pt and Au) doped ceria. N. Yi,R.Si, 

H. Saltsburg, M. Flytzani-Stephanopoulos 

11:10 86. Engineering and atomic-scale 

characterization of bimetallic Pd alloys for 

hydrogen dissociation. A. E. Baber, 

H. L. Tierney, J. R. Kitchin, E. H. Sykes 

11:30 87. Surface – subsurface interactions 

in hydrogen desorption from Pd. 

W. D. Michalak, M. Widom, J. B. Miller, 

D. Alfonso, B. Morreale, A. J. Gellman 

11:50 88. Surface structure of Pd 3Fe(111): 

Anomolous surface morphology and implications 

for electrocatalysis. X. Yang, 

B. E. Koel 


Section A 


Room 206B 


E. I. Altman, G. Bhargava, Organizers 

2:00 89. High throughput study of the catalytic 

activity of CuPd alloys for hydrogen 

purification membranes. A. J. Gellman, 

J. B. Miller, P. Kondratyuk, S. Shukla, 

E. Broitman 

2:30 90. Heterogeneous catalysts need not 

be so heterogeneous: Size and shape selected 

transition metal nanocrystal fuel 

cell catalysts. C. B. Murray,Y.Kang, 

X. Ye, V. D. Nguyen 

3:00 91. Nature of excess electrons in TiO 2 

and their role in surface reactions. 

N. A. Deskins, R. Rousseau, M. Dupuis 

3:20 92. Solid-liquid interfacial hydrogen 

bond catalysis using nano structured materials 

metal oxides. W. Song,F.Niu 

3:40 93. Morphologies and reactivities of 

platinum and rhodium nanoparticles. 

D. W. Goodman, M. J. Lundwall, 

S. M. McClure, Z. Zhou, F. Yang 

4:10 94. Measuring and relating the electronic 

structure of alloys to their chemical 

and catalytic performance. S. Linic, 

N. Schweitzer, H. Xin, E. Nikolla 

4:30 95. Stark tuning of absorbed CO on 

fuel cell catalytic layers in operating fuel 

cells. I. Kendrick, E. Smotkin 

4:50 96. Immobilization of Mucor miehei 

lipase on titania mesoporous materials. 

Y. Martinez, M. Bellino, D. Kaplan, 

G. J. Soler-Illia, G. R. Castro 





Sponsored by ENVR, Cosponsored by CATL 



Section A 


Room 206B 

Catalyst for Energy Storage Cosponsored by 

FUEL and PETR 

J. Zheng, Organizer, Presiding 

9:00 97. Lithium-air battery. P. G. Bruce, 

S. A. Freunberger, L. J. Hardwick, 

Z. Q. Peng, Y. Chen 

9:45 98. Synthesis, characterization, and 

electrochemistry of high oxidation state 

cobalt hangman corroles for oxygen electrocatalysis. 

D. G. Nocera, D. D. Kiper 

10:15 99. Mechanistic study of water splitting 

catalyzed by a biomimetic dimanganese 

oxomanganese complex: A model 

for photosystem II. E. M. Sproviero, 

G. W. Brudvig, V. S. Batista 

10:45 100. Atomic simulations of heterogeneous 

fuel cracking catalysis. 

S. M. Opalka,T.H.Vanderspurt 

CHED 

Division of Chemical 

Education 

C. Gauthier, J. Smist, and 

N. Snyder, Program Chairs 


Chemistry and the Environment Film 

Series (see CEI, Sun) 

The School Chemical Cleanout 

Campaign (SC3) Needs You (see 

CHAS, Mon) 

Formal and Informal Education 

Platforms for Sustainable Energy 

Systems (see COMSCI, Tue) 

Anna Jane Harrison: ACS President, 

Her Science and Her Legacy (see 

HIST, Mon) 

Excellence in the Undergraduate 

Chemistry Curriculum - A Global 

Perspective (see PRES, Mon) 

Sustainability Education (see PRES, 

Mon) 


High School – College Teachers 

Luncheon, 12:00 PM: Sun 

Reception, 5:30 PM: Sun 


Section A 

Seaport Hotel 

Plaza Ballroom B 

High School Program 

S. Mitchell, Organizer, Presiding 


8:35 1. Food and medicines of the future: 

The role of green chemistry. J. C. Warner 

9:20 2. Connecting candy to chemistry: 

Ready-to-use resources from the Journal 

of Chemical Education. E. K. Jacobsen, 

L. E. Slocum, N. J. Pienta 


10:10 3. ACS high school chem club program. 

A. LeFevre 

10:40 4. Chemistry of birds, carrots, oranges, 

pickles, and rhubarb. R. Perkins 


Section B 

Seaport Hotel 

Seaport Ballroom B 

Using Technology to Enhance Learning in 

Organic Chemistry 

P. A. Janowicz, Organizer 

L. McClary, Organizer, Presiding 


8:35 5. Turning a compressed video course 

into a “live” experience: Adding multimedia 

into organic chemistry. J. Kabrhel 

8:55 6. Using technology to the maximum in 

the teaching of chemistry. K. K. Bagga 






consent from ACS.

9:15 7. Using personal response systems 

(clickers) to probe the structure-mechanism-reaction 

paradigm in organic chemistry. 

S. M. Graham 


9:50 8. Using web-based case studies to 

learn organic reaction mechanisms. 

K. Koenig, A. L. Smith 

10:10 9. “Molmodac”: A team project for the 

development of computational, informatics, 

and interpersonal skills in a secondsemester 

organic chemistry course. 

J. S. Moore, M. J. Evans 

10:30 Discussion 


Section C 

Seaport Hotel 

Seaport Ballroom A 

Social Networking: The Next Generation 

Cosponsored by CINF and YCC 

L. Pence, H. Pence, Organizers 

L. Benedict, Presiding 


8:35 10. Construction of topical faculty 

learning communities by the Center for 

Workshops in the Chemical Sciences 

(CWCS) and the use of Drupal as a development 

platform. C. B. Russell, 

D. M. Collard 

8:55 11. Ebooks: A culture shift for academic 

libraries? B. A. Losoff 

9:15 12. Engaging student discussion: The 

role of a google jockey. L. E. Pence, 

E. R. Greene 

9:35 13. Rip-Mix-Learn (RML): Using Google 

Docs to create collaborative multimodal 

class notes. L. A. Benedict,H.E.Pence 


10:05 14. Smart phones, smart objects, and 

chemical education. H. E. Pence 

10:25 15. How community crowdsourcing 

and social networking is helping to build 

a quality online resource for chemists. 

A. J. Williams 

10:45 16. Chemistry of social media. 

S. Jensen 


Section A 

Seaport Hotel 

Plaza Ballroom B 


S. Mitchell, Organizer 


12:05 17. My experience (so far!) of trying to 

develop a drug for Alzheimer’s disease. 

P. Landsbury 

12:50 18. The curious cook: An experimental 

design approach to problem solving. 

H. McGee 


1:25 19. Play with your food, not your 

health. L. Hogue, A. Sarquis 

1:55 20. Spectroscopic applications for the 

high school chemistry classroom. 

D. McGraw 

2:25 21. Pop culture in the chemistry classroom. 

E. K. Mitchell 


2:40 22. Food science opportunties at Cornell 

University. R. Mitchell 

2:50 23. Research in the high school chemistry 

classroom. C. Larrabee 

2:55 24. FUNdamentals of food and packaging 

polymers can energize your chemistry 

teaching. L. Higgins, S. Rukes 


3:45 25. Trace metal elements in nutrition. 

A. P. Zipp 


Section D 

Seaport Hotel 

Constitution Room 



Cosponsored by CHED, IAC, PRES, SCTF, 

SOCED, WCC, and YCC 

M. Hoffman, Organizer, Presiding 


1:20 Welcome - John McKew 

1:25 Welcome - Michael Dröscher 

1:30 26. How we teach chemistry in high 

schools in Germany. J. Saborowski 

1:45 27. Ecologically benign and economically 

useful transformations: Research 

and education at the Georg-August- 

University Goettingen, Germany. 

N. Schützenmeister, L. F. Tietze 

2:00 28. Chemical experiments with pulsed 

atomic and molecular beams on the catalytic 

active surfaces of semiconductor 

heterosystems. K. Stella, D. Diesing, 

E. Hasselbrink 

2:15 29. Catalysis as a key technology for a 

sustainable development. S. Wang, 

F. Schüth 


2:40 Welcome - Joseph Francisco 

2:45 30. DAAD/RISE: Research internships 

in science and engineering. M. Hippchen 

3:00 31. ACS-IREU and Germany’s DAAD/ 

RISE: A collaborative exchange program. 

L. E. Echegoyen 

3:15 32. Supporting chemistry research in 

Germany: The DFG’s funding strategy. 

B. Georg, M. Behnke 

3:30 33. Research funding opportunities in 

Germany for postdoctoral and experienced 

researchers. D. Kelly 


3:55 34. Developing the promise of young 

chemists: Projects of the German 

Younger Chemists’ Forum. 

C. Küchenthal 

4:10 35. NESACS/GDCh Exchange Program: 

Participation and organizational experiences. 

R. L. Napoleon 

4:25 36. Tenth anniversary of the German 

Exchange Program – personal experiences 

and impacts: Jens goes U.S.A. 

J. Breffke 

4:40 37. EYCN: The European Young 

Chemists Network. S. Toews, V. Fluxa, 

D. Dumitrescu, I. Vorotyntsev, H. Laavi 

Section B 

Seaport Hotel 



S. Mitchell, Organizer, Presiding 


1:35 38. Discrepant events workshop. 

S. Lantos 

2:10 39. Pharmacology Education Partnership: 

Military pharmacology. D. Krone, 

B. Howson 

2:45 40. Improve student learning with 

SmartPens in your classroom. 

A. D. Crosby 


3:20 41. Engaging your audience: Inspiring 

teachers to engage their audience 

through the use of multimedia and interactive 

demonstrations. J. Lull, 

J. Cucinotta 

3:45 42. Chemistry with vernier. J. Randall, 

D. Holmquist 


Section C 

Seaport Hotel 



Cosponsored by CINF and YCC 

L. Pence, Organizer 

H. Pence, Organizer, Presiding 


1:35 43. Communicating organic chemistry 

through the internet: Global learning 

communities. P. A. Janowicz 

1:55 44. Focusing CENtral Science: An 

overview of C&EN’s redesigned blog portal 

and its usefulness to educators. 

R. Pepling 

2:15 45. Chemistry blogging: From literature 

to controversy to community to. . . 

A. D. Finke 

2:35 46. Blogging: Ego trip, or sound science? 

Its role in chemical education and 

research. H. S. Rzepa 


3:05 47. Teaching scientific communication 

in pharmaceutical bioinformatics education. 

E. Willighagen 

3:25 48. Developments in chemistry resources 

on Wikipedia. M. A. Walker 

3:45 49. ChemEd DL WikiHyperGlossary. 

R. Belford, D. Berleant, M. Bauer, 

J. W. Moore, R. Hall 

4:05 50. Chempedia Lab: Group meeting on 

a global scale. R. L. Apodaca 

The Chemistry of Beer and Brewing 

Sponsored by YCC, Cosponsored by CHED, 

PROF, and SCHB 


Section A 

Seaport Hotel 

Lighthouse I 


I. Montes, Organizer 

7:00–9:00 

51. National Chemistry Week 2010: Behind 

the Scenes with Chemistry. A. H. Sowell, 

R. M. de Groot, M. Duerst, T. A. Halmi, 

C. Jaworek-Lopes, L. Hogue 

52. Chemists celebrate Earth Day 2010: 

“Plants: The Green Machines”. L. Avila, 

C. Harris, R. M. deGroot 

53. Join us to celebrate the International 

Year of Chemistry during 2011 through 

community outreach! I. Montes, T. Halmi, 

L. Hogue, C. Jaworek-Lopes, 

A. Jorgensen 

54. Communicating science: Public presentations 

by Science is Fun students. 

A. K. Turek, S. Wittkopp, R. Schreiner, 

B. Z. Shakhashiri 

55. Science in the city. S. Wittkopp, 

R. Schreiner, B. Z. Shakhashiri 

56. Chemistry as a community: Activities, 

outreach, and service of the Florida 

Southern College student affiliates chapter. 

M. J. Politis, J. C. Bruno, 

C. V. Gauthier 

57. ChemTeacher: An online resource for 

chemistry teachers from ChemEd DL. 

G. Bandos, J. M. Shorb, J. W. Moore 

58. Chemistry course for the common core 

on the “human journey” in a catholic university. 

D. A. Habboush 

59. Accessible chemistry to the non-science 

major. K. Thistle, M. Quigley, 

B. Datangel, A. Maffa 

60. Concert at chemistry: Linking science 

and the performing arts. J. F. Berry, 

B. Z. Shakhashiri, R. Schreiner 

61. Implementation and results of a laboratory 

practical examination in introductory 

college chemistry. S. J. Pilkenton, 

C. Dignam 

62. Pre- and post-assessment of general 

chemistry students. W. Burns, 

T. Kennon, M. Draganjac, M. Panigot, 

A. Ontko, H. Koizumi, R. Warby, S. Cron, 

B. Rougeau 

63. Effectiveness of guided inquiry on students’ 

comprehension of chemistry concepts 

in a non-science majors’ course. 

A. Butler, W. Donovan 

64. Introduction of C4: A strategy for science 

laboratory instruction. C. A. Smith 

65. Impact of a teaching-assistant (TA) boot 

camp on first-year chemistry graduate 

students assigned to teach freshman 

chemistry recitation sections. 

R. Mitchell, E. M. Taylor, C. L. Drennan 

66. Teacher assistants in the chemistry lab. 

M. J. Anderson, K. Rugutt, J. Bulcholtz, 

O. Gonzalez 

67. ChemPRIME wiki-text: The chemistry 

behind your favorite subject. J. M. Shorb, 

E. Vitz, J. W. Moore 

68. Common biases in chemistry classroom 

teaching practices. N. J. Ronkainen 

69. Collaborative undergraduate research 

methods course. A. M. Schoffstall, 

S. Braun-Sand, R. M. Henry, D. J. Weiss, 

J. A. Canaria 

70. Using Independent Laboratory Access 

for the Blind (ILAB) tools as part of a summer 

science camp for students who are 

blind in the Caribbean. C. A. Supalo, 

T. E. Mallouk, H. D. Wohlers, R. A. Kreuter 

71. Increasing the diversity of the laboratory 

technician workforce through the inclusion 

of deaf and hard-of-hearing students. 

A. D. Ross, T. Pagano 

72. Active learning method for teaching enzyme 

kinetics to non-science majors. 

G. T. Hinckley 

73. Use of recyclable materials to build a 

groundwater tank model for classroom 

use. M. Larrousse, M. Watch 

74. Threefold representation in scientific 

models: Application in redox reaction. 

Z. Medina Torres, R. Barreto, 

E. L. Ortiz Nieves 

75. Preparation of zinc bromide using microwave 

technology: A simple stoichiometry 

experiment for the undergraduate general 

chemistry teaching laboratory. 

J. E. Horta, D. J. Foreman 

76. Interdisciplinary project based on the 

SEM-EDS analysis of iron, copper and 

brass artifacts excavated in southern 

New England. M. L. Parr, L. A. Tran, 

J. C. Gifford, A. H. Lehman, 

N. F. Bellantoni 

77. NO: Presenting real-world scientific research 

and problems in an artistic way. 

E. Victor, R. Schreiner, B. Z. Shakhashiri 

78. VIPEr: Virtual inorganic pedagogical 

electronic resource. E. R. Jamieson, 

E. Benatan, J. Dene, H. J. Eppley, 

M. J. Geselbracht, A. R. Johnson, 

B. A. Reisner, S. R. Smith, J. L. Stewart, 

L. A. Watson, B. Williams 

79. Turning X-ray vision on the “Gold Penny” 

activity. D. Collins, T. Narby, 

D. McCarthy 

80. Ruthenium tris-bipyridine: Laboratory experiments 

for instructing students in synthesis 

and chemical techniques. 

P. Rillema 

81. Carbon nanotube molecules effects on 

the crystallization and ordering behavior 

of liquid crystal molecules. 

G. Y. Georgiev, E. A. Gombos, 

M. B. McIntyre, P. Cebe 

82. Establishment of a center for the studies 

of curricula in chemistry and nanoscience 

(the “Chem Center”). A. K. Szeto 

83. Solubility rules and General Chemistry. 

P. DeGeorge, J. T. Moore, R. H. Langley, 

D. B. Dizon 

84. Analyzing pigments in tattoo inks by 

atomic absorption spectroscopy and thin 

layer chromatography. M. C. Salvi, 

R. E. Rose,P.M.Gordon, 

C. H. Jaworek-Lopes 

85. Chemical demonstrations: Color, light, 

vision, and perception. 

B. Z. Shakhashiri, R. Schreiner, 

J. A. Bell, S. Wittkopp 

86. Color revisited, I: Experiments and demonstrations 

on subtractive and additive 

colors of light. M. D. Duerst, K. Winter, 

R. J. Duerst, S. B. Duerst, R. W. Duerst 

87. Teaching organic chemistry using examples. 

C. H. Do 





CHED 

TECH–21

CHED TECHNICAL PROGRAM 

88. Carbocation rearrangement in an electrophilic 

aromatic substitution discovery 

laboratory. V. Polito,C.S.Hamann, 

I. J. Rhile 

89. Introduction to multi-step synthesis in 

the advanced organic chemistry laboratory: 

The synthesis of racemic nicotine via 

ring closing metathesis. A. M. Hartel 

90. Representation of the Woodward UV 

Rules using a simple mathematical formula. 

Y. Kang,F.Kang 

91. Isochorismate synthase: From cloning to 

expression to characterization. Z. He 

92. Fostering learning in the undergraduate 

biochemistry laboratory: Supplementing 

experimentation with exercises that create 

a basis for inquiry and ignite peer discourse. 

M. L. Hall, D. Ulu-Vardar 

93. New PowerPoint materials for safety instruction 

in introductory laboratories. 

P. A. Redden 

94. Introducing the LEEDAR program, learning 

enhanced through experimental design 

and analysis with Rutgers: Giving 

high school students some insight into 

what it means to be a scientist. 

D. A. Laviska, S. M. Sparks, 

A. S. Goldman 

95. Explanation of a difference between covalent 

radii in hydrogen molecule and in 

heteroatomic hydrogen containing compounds. 

V. Y. Gankin, Y. V. Gankin 

96. Demystifying chemical bonding, chemical 

kinetics and catalysis. Y. Gankin, 

V. Gankin 

97. Withdrawn 

98. Symbiotic learning relationship: Apple 

iTouch connecting organic chemistry and 

software development students. 

M. Y. Tsoi, S. Dekhane 

Chemistry and the Environment Film Series 

Tara, Journey to the Heart of the Climate 

Machine Sponsored by CEI, Cosponsored by 

CHED and ENVR 


Section A 

Seaport Hotel 

Plaza Ballroom A 


the Interface 


Security Cosponsored by AGRO ‡ , ANYL ‡ , 

BIOL ‡ , CCPA ‡ , CHAS ‡ , COLL ‡ , HIST ‡ , I&EC ‡ , 

INOR ‡ , NUCL ‡ , ORGN ‡ , POLY ‡ , PRES ‡ , 

SCHB ‡ , and WCC ‡ Financially supported by 

Graduate Student Symposium Planning 

Committee 

J. S. Silvia, J. Schnorr, Organizers, 

Presiding 


8:35 99. When science and politics meet. 

D. Goldston 

9:20 100. Engineering microbial metabolism 

for production of the anti-malarial drug 

artemisinin. J. D. Keasling 


10:20 101. Better things for better living 

through chemistry. J. B. Berkowitz 

11:05 102. LANL contributions to chemical 

research, public policy and national defense. 

W. S. Rees 


Section B 

Seaport Hotel 


Undergraduate Research Oral 

Presentations 

22–TECH 

J. Miecznikowski, Organizer, Presiding 



8:35 103. Oxidation and photochemical 

halogen elimination chemistry of a platinum-rhodium 

heterobimetallic core. 

T. R. Cook, B. D. McCarthy, 

D. A. Lutterman, D. G. Nocera 

8:55 104. Capillary action in a continuouslytapered 

narrow gap space. C. B. Kim, 

D. H. Waldeck, C. W. Borysenko 

9:15 105. Double diastereoselective, nucleophile 

catalyzed Aldol lactonizations 

(NCAL) leading to �-lactone fused carbocycles 

and tetrahydrofurans. 

K. M. Arendt, K. A. Morris, D. Romo 


9:50 106. Grazing angle incidence specular 

reflectance FT-IR characterization of the 

photocrosslinking of 4-vinylbenzyl thymine 

(VBT) and 4-vinylbenzyl trialkyl ammonium 

chloride (VBA) copolymers. 

K. Thomas, L. Searls, J. Bento, 

D. M. Martino, R. Gurney 

10:10 107. Synthesis of electrically conducting 

poly-2-ethylaniline microtubes having 

nanoscale morphology. N. Manohar, 

M. L. Lalli, S. P. Surwade, S. Agnihotra, 

S. K. Manohar 

10:30 108. Surface morphology and hydrophobicity 

of solution-cast films of polyaniline 

derivatives and its relationship to 

chain conformation in solution (solvatochromism). 

M. L. Lalli, N. Manohar, 

S. P. Surwade, S. K. Manohar 


Section C 

Seaport Hotel 


Teaching Acid-Base Concepts in General 

and Organic Chemistry: Current 

Approaches to Improve Conceptual 

Understanding and Retention 

M. Asirvatham, Organizer, Presiding 


8:35 109. Teaching acid base equlibrium in 

general chemistry without the Henderson–Hasselbalch 

equation. 

S. E. Van Bramer 

8:55 110. Melding molecular concepts of 

acid/base reactions with an algorithmic 

treatment of the data. J. C. Poe 

9:15 111. Misconceptions about acid-base 

reactions. J. D. Jensen, S. Lowery Bretz 

9:35 112. Pedagogical content knowledge 

of acids and bases of ten Mexican high 

school and college teachers. 

C. Alvarado, A. Garritz, V. Mellado 


10:05 113. Making the implicit explicit in acid-base 

instruction. J. Davenport, 

D. J. Yaron, M. Karabinos, J. Greeno 

10:25 114. Using multiple response clicker 

questions to improve student feedback. 

D. B. King 

10:45 115. Reinforcing acid-base concepts 

in organic chemistry using clickers and 

electronic homework. M. R. Asirvatham 


11:15 116. Bridging the gap: Design of interconnecting 

pH modules in the chemistry 

curriculum from general chemistry to biochemistry. 

S. M. Schelble, S. Bonetti, 

K. M. Elkins, D. Dillon 

11:35 117. How first-semester organic 

chemistry students use heuristics to employ 

mental models of acidity during a 

ranking task. L. McClary, V. Talanquer 

11:55 118. Assessing undergraduate students’ 

acid-base chemistry conceptions. 

J. M. Duis, L. L. Jones 


Section A 

Seaport Hotel 



the Interface 


Innovation Cosponsored by AGRO ‡ , ANYL ‡ , 

CHAS ‡ , COLL ‡ , HIST ‡ , I&EC ‡ , INOR ‡ , NUCL ‡ , 

ORGN ‡ , POLY ‡ , and PRES ‡ Financially 

supported by Graduate Student Symposium 

Planning Committee 

J. S. Silvia, J. Schnorr, Organizers, 

Presiding 


1:35 119. Scientist, politician, policy maker: 

A historical perspective. J. M. Hayes 

1:50 120. Federal public policy advocacy for 

chemists. J. Gavenonis 

2:35 121. A chemist in public service: From 

a government lab to the executive office 

and back. K. L. Beers 


3:35 122. Energy technology innovation. 

J. M. Deutch 

4:20 123. Innovation and entrepreneurship 

in chemistry. G. M. Whitesides, 

K. Mirica, C. Mace 


Section B 

Seaport Hotel 


Successful Undergraduate Research 

Programs 

M. Fisher, Organizer, Presiding 


1:35 124. Determination of the ionization 

constant of carboxylic acids using microscale 

freezing point depression measurements. 

P. Sharifi, G. Subramaniam, 

P. Irigoyen, P. Svoronos 

1:55 125. Successful undegraduate research 

in organic chemistry at a small liberal-arts 

college. M. J. D’Souza, 

J. L. Miller 

2:15 126. Undergraduate research in gasphase 

chemical kinetics. B. E. Holmes, 

G. L. Heard 

2:35 127. Computational Chemistry research 

in gas-phase reaction kinetics. 

G. L. Heard,B.E.Holmes 


3:00 128. Wilkes University Student Section: 

Outreach, service and fun! S. Anderson, 

D. Mencer 

Section C 

Seaport Hotel 


Integrating Nanotechnology into the 

Chemistry Curriculum 

J. Montgomery, Organizer, Presiding 


1:35 129. Design engineering tools for molecular 

gizmos: Explaining what makes 

“nano” different. K. Sohlberg 

1:55 130. Research and teaching in the 

nanoplasmonics. T. Seideman, L. Zhang, 

F. K. Amankona-Diawuo 

2:15 131. Hands-on nanotechnology education: 

An introduction to nanochemistry as 

part of the general chemistry curriculum. 

R. C. Holz, J. Ireland 

2:35 132. Many flavors of nano: Nanoscience 

for several audiences in chemistry. 

S. K. St. Angelo 


3:10 133. Introducing nanoscience concepts, 

techniques, and skills in the undergraduate 

curriculum. A. Mayol, 

M. Garcia, I. Rodriguez, E. Mosquera, 

A. Herrera, M. Gomez 

3:30 134. Nanotechnology experiments for 

general chemistry laboratory classes. 

D. A. Katz 

3:50 135. Preparation of electrically conductive 

polystyrene/carbon nanofiber nanocomposite 

films: An experiment for the 

undergraduate laboratory. L. Sun,H.Sue 


Section E 


Hall C 


Agricultural and Food Chemistry 

Cosponsored by AGFD and SOCED 

N. Bakowski, Organizer 

2:30–4:30 

136. Laboratory analysis of vitamin C in prepared 

vegetables served in eldercare facilities. 

D. W. Konas, C. Garay, 

C. Feldman, B. Anand, J. Piemonte, 

E. Silverthorne, S. M. Wunderlich 

Section F 


Hall C 


Analytical Chemistry Cosponsored by ANYL 

and SOCED 

N. Bakowski, S. Majorski, Organizers 

2:30–4:30 

137. Compositional studies of three low-FeO 

ordinary chondrite meteorites. 

J. Troiano, D. Rumble, M. L. Rivers, 

J. M. Friedrich 

138. Quantitative determination of gallic acid 

in tea beverages and juices using high 

pressure iquid chromatography. 

C. Casas, S. Svoronos, P. Irigoyen, 

P. Svoronos 

139. Spectrophotometric determination of 

the total phenol content in commercial 

beverages via the Folin-Ciocalteau micromethod. 

K. Lee, S. Svoronos, P. Irigoyen, 

P. Svoronos 

140. Probing UV-signaling pathways in 

plants: Identification of UV absorbing 

species in Arabidopsis thaliana and cucumber 

seedlings. C. L. Schardon, 

K. Meinhardt, J. R. Shinkle, M. M. Bushey 

141. Investigation of the binding mechanism 

of cysteine and homocysteine thiolactone 

with human serum albumin (HSA) using 

analytical spectroscopy. A. M. Taylor, 

S. O. Fakayode, W. E. Stapleton, 

E. F. Arhagba, M. McCoy, D. A. Pollard, 

A. K. Mohammed 

142. Conversion of secondary aliphatic 

amine moiety to ketone by Fe III —TAML 

system. A. J. Worth, D. Tshudy, L. Shen, 

T. J. Collins 

143. Liquid chromatography mass spectrometry 

analysis of FDA approved drugs 

that inhibited cancer cell growth. 

S. M. Mahmoud, D. M. Ramanathan 

144. Benzene production in commercial beverages. 

A. Rivera,C.A.Smith 

145. Contaminant analyses of commercial 

fish oils. E. A. Garza,C.A.Smith 

146. Chemical analysis of electronic cigarette 

smoke. G. Ayala,C.A.Smith 

147. Determination of acid ionization constants 

of cyanine dyes in water vs. methanol/water 

mixed solvent. S. Jeong, 

S. Patel, J. Miguel, Y. Shin, 

M. T. Mongelli 

148. Structure function studies of homocysteine 

thiolactone modified horse cytochrome 

c and horse myoglobin. A. Pan, 

E. M. Lawson, P. A. Mabrouk 






consent from ACS.

149. Mobile NMR, FTIR and XRF of ancient 

roman wall paintings and mosaics at Herculaneum. 

B. Bluemich, A. Haber, 

V. Boardman, D. Souvorova, K. Ulrich, 

A. De Vita, B. Itin, E. Del Federico 

150. Semiquantitative analysis with paper 

analytical devices (PADs). T. Barstis, 

M. Parsons, C. Robakowski, 

M. Lieberman 

151. Effect of molecular characteristics on 

sugar recovery using in vitro microdialysis. 

D. O. Omire-Mayor, S. Wassink, 

A. Gray, W. R. LaCourse 

152. Determining solute concentration in 

shrinking microdroplets by refractive index. 

N. Florio, S. Lee, C. Morris, 

K. Giusto 

153. Characterization of TMOS:Acetone solgels. 

M. Yonz,M.B.Arnold, 

R. P. Crumpton, C. H. Lisse 

154. Analysis of metals in hookah tobacco. 

M. McEwan, W. E. Maelia, L. E. Maelia 

155. Semiconductor nanoparticle synthesis 

and assembly into thin films. T. Bein, 

H. Feckl, A. Haynes 

156. Detection of specific biomarkers within 

single cells using SERS and nanosensing. 

D. Graham, I. Larmour, E. Argueta 

157. Precipitation of nile red in aqueous solutions. 

B. Fox, P. Halling, C. Gillespie 

Section G 


Hall C 


Biochemistry Cosponsored by BIOL and 

SOCED 

N. Bakowski, S. Majorski, Organizers 

2:30–4:30 

158. Metal ions binding properties of EfeO, 

an iron transport protein from Escherichia 

coli * . J. McNally,H.Yang, 

M. Rajasekaran, K. Watson, S. Andrews, 

F. Bou-Abdallah 

159. Chemical influences on the surface 

properties and life cycle characteristics of 

Bdellovibrio bacteriovorus. S. Bhaduri, 

M. Marone, M. Ferguson 

160. Cellular focus of the C. elegan bec-1 

autophagy gene. V. Young, A. Ruck, 

A. Melendez 

161. Elucidation of the estrogenicity and 

mechanism of action of lavender oil. 

B. C. Covington,M.K.Mann 

162. Characterization of esterase activity 

from the bacteria, Francisella tularensis, 

the causative agent of tularemia. 

L. A. Weston, R. J. Johnson 

163. Antibiotic resistance in bacteria from 

antibiotic-free poultry flocks. 

M. P. Labare, M. Labare, L. Takacs, 

H. Butler, E. Yess, C. Butler, 

D. E. Riegner 

164. Discovery of novel peptidic ligands for 

sickle cell hemoglobin. J. J. Henle, 

B. B. Brennan 

165. Role of AGG interruptions in modulating 

the rate of duplex formation in CGG/CCG 

trinucleotide repeat sequences. M. Wu, 

D. Jarem, S. Delaney 


167. Effects of trinucleotide repeat length on 

the mechanism of hairpin-duplex conversion. 

M. Griffin, A. Avila-Figueroa, 

S. Delaney 

168. Buffer and temperature dependence of 

alkaline phosphatase activation by trifluoroethanol. 

J. Kelly, L. Webb, E. Csuhai 

169. investigation into direct solar fuels from 

algae for Caribbean island communities. 

J. Ho, H. Kuar, A. Mahmut, D. Moscoso, 

W. Scherzinger, B. Teasdale, 

M. Mongelli 

170. Microwave assisted solid state 

polypeptide synthesis. C. Gemski, 

C. Soydara, J. C. Williams, Jr. 

171. Arylphosphonium salts conjugated to 

flourescent markers. A. Amer, J. Solares, 

S. Spinette, J. C. Williams, Jr., S. Spinette 


173. Synthesis and cross-linking of 3-thio-4hydroxybutanoic 

acid to develop anti- 

GHB ELISA. F. Wang, K. Bendinskas 

174. Search for synthesizable selective estrogen 

receptor modulators using 

eHits®Lightning on a Playstation-3. 

S. Morgan, J. C. Williams, Jr. 

175. pH-Dependent release kinetics of a 

PEGylated protein from a nano hydroxyapatite-coated 

poly(caprolactone fumarate) 

2D film. D. H. Kwak,H.H.Pham, 

S. Saurabh, J. Kim, J. O. Hollinger 

176. Determination of substrate specificity of 

two esterases from a thermally stable 

bacteria using fluorescence. M. Hedge, 

J. Johnson 

177. Evaluation of antioxidant properties of 

syringaldehyde-based tetra-phenolic antioxidant. 

K. S. Carlson, C. Y. Lee, 

A. Sharma, J. L. Nelson, S. K. Upadhaya, 

J. Cheong 

178. Protein sequence conservation in DNA 

repair protein Trex2. M. Valenciana, 

P. Hasty, S. M. Volk 

179. Metal ion-nucleotide interactions. 

B. D. Browne, B. P. Smith, W. Lahar 

180. Protoporphyrin IX and metallated protoporphyrin 

IX dose dependent effects on 

Leishmania. M. L. Beio, K. D. Droege, 

A. Carcu, V. H. Nguyen, J. D. Hooker, 

D. L. Cedeño, M. A. Jones 

181. Proteomic analysis of a NOS-knockout 

mutant of Bacillus subtilis. 

A. M. Pinkham, T. D. Kim 

182. Post-transcriptional modification of 

“rare” tRNAs. T. Riffelmacher, 

B. Addepalli, P. A. Limbach 

183. Detection of binding partners to pancreatic 

cancer biomarkers. G. A. Weiss, 

J. A. Arter, C. M. Overstreet, M. Fricke, 

R. M. Penner 

184. Biosynthesis of homocysteine from methionine 

to cysteine: Nuclear magnetic 

resonance studies. R. L. Blanchard, 

T. C. Brady, J. J. Mitnick 

185. Estradiol and its metabolites: Absorption 

and spectral studies lend insight into 

their role in breast cancer. C. M. Conroy, 


186. Methylation of homocysteine to methionine 

by 5-methyltetrahydrofolate: Absorption 

spectral studies. M. P. Dziubina, 


187. Growth inhibition of neoplastic breast 

cells by means of retinoids and tamoxifen. 

M. Lukaszewicz1,T.C.Brady, 

J. J. Mitnick 

188. Reduction of homocysteine levels by 

rapid conversion of homocysteine to methionine 

via methylation. B. R. Dempsey, 


189. Analysis of complex formation in the E. 

coli mismatch repair system. N. Morante, 

I. Winkler, R. Heinz, A. Marx, P. Friedhoff 

190. Production and characterization of hapten 

modified DNA origami nano-scaffolds 

used as complex ligands in cell signaling. 

J. McCracken, D. Hautzinger, 

K. M. Müller 

191. Function of sialylation in the nervous 

system. T. Zimmermann, E. Repnikova, 

K. Koles, M. Nakamura, R. Islam, 

M. Altmyer, M. Zoran, V. Panin 

192. Probing the allosteric site of the 

Agrobacterium tumefaciens ADPGlucose 

pryrophosphorylase. N. Boehmer, 

B. Jacobson, M. Matsui, A. Orry, 

C. R. Meyer 

193. Sample preparation and matrix-assisted 

laser desorption/ionization mass 

spectrometry (MALDI-MS) measurement 

for intact protein profiling (IPP) of bacterial 

species. S. Laurer, D. Bozinovski, 

J. Seifert, M. von Bergen 

194. Rapid release of iron from ferritin by 

BHT chelate ligands. J. McNally, 

X. X. Liu, A. Melman, F. Bou-Abdallah 

195. Characterization of iron oxidation and 

mineral core formation in recombinant 

heteropolymer ferritins. B. Cooppe, 

J. McNally, P. Santambrogio, S. Levi, 

N. D. Dennis, F. Bou-Abdallah 

Section H 


Hall C 

Undergraduate Research Posters Chemical 

Education Cosponsored by SOCED 

N. Bakowski, S. Majorski, B. Aronson, 

Organizers 

2:30–4:30 

196. Undergraduate chemistry experiment: A 

study of the thermal properties of a binary/eutectic 

alloy of Sn-Pb using differential 

scanning calorimetry. D. Clark, 

R. P. D’Amelia, W. Nirode 

197. Refractive index of organic liquids measured 

at various temperature using a laser 

pointer. E. Yang, E. Choi, J. H. Shin 

198. Determination of acid and base concentrations 

using a laser pointer: Refractive 

index vs. concentration. R. Cho, 

E. Yang, J. H. Shin 

199. Determination of caffeine content in energy 

drinks by high pressure liquid chromatography. 

X. Ye,P.Irigoyen,T.Xu 

200. Isothermal titration calorimetry studies 

of Ca 2� and Mg 2� binding to EDTA. 

H. Root, L. C. O’Brien 

201. Developing an unknown Diels-Alder 

laboratory. L. E. Blair,C.Y.Chung, 

P. M. Gordon, C. H. Jaworek-Lopes 

202. DNA isolation and characterization experiments 

for the first-year organic chemistry 

laboratory. N. Sardar, 

B. Montalbano, J. Verdis 

203. Greening up the introductory chemistry 

lab: An undergraduate assessment and 

development project. M. L. Brulotte, 

E. J. Brush 

204. Evidence for a standard curriculum in 

undergraduate organic chemistry research. 

R. L. Miller, C. D. Street, 

P. A. Mabrouk 

205. “Did you smell that?”: Exploring students’ 

predictions of perfume diffusion in 

air. M. Escriu-Sune, M. Stains, H. Sevian 

206. Temperature dependence of electrochemical 

cell EMF: An environmentally 

friendly physical chemistry laboratory experiment. 

E. Argueta,D.K.Lewis 

207. Potassium organotrifluoroborates: Useful 

reagents for Suzuki cross-coupling reactions 

that undergraduate students 

should know. J. K. Murray,C.N.Cipolla 

208. UPR-Cayey Chemistry Circle: Preventing 

and combating AH1N1. 

A. M. Suárez-Márquez, 

M. Y. Cortés-Cartagena, 

W. Resto-Otero 

209. Green chemistry laboratory activities: 

Comparative terrestrial ecotoxicology of 

road salts and common alcohols. 

T. A. Crocker, I. J. Levy, 

T. J. Swierzewski 

210. Partnerships between chemistry departments 

and the community: Green 

chemistry activities for homeschooled 

high school students. A. A. Demme, 

G. A. Eilers, I. J. Levy, C. Strnad 

211. Further studies on green crossed aldol 

condensation reactions of trans-cinnamaldehyde 

and derivatives. A. J. Belli, 

G. J. Molta,P.M.Gordon, 

C. H. Jaworek-Lopes 

212. Epoxy synthesis and strength testing in 

the first-year undergraduate laboratory. 

A. Fusco, P. Mabrouk 

213. Modeling biochemical pathways using 

Vensim ® : The Krebs tricycle. 

D. K. Otachliska, S. G. Desjardins 

214. Investigation of transition metal-catalyzed 

[2�2�2] cycloaddition reactions for 

the preparation of highly substituted benzenes: 

Useful teaching tools for undergraduate 

organic chemistry. 

J. K. Murray, E. Hewlett 

215. Total synthesis project in second semester 

organic chemistry laboratory. 

A. G. Burn, J. W. Baillargeon, 

S. J. Popham, M. R. O’Brien, 

M. C. Kittredge, K. W. Kittredge 

216. Inquiry-guided synthesis of novel anticancer 

chalcones. E. Cho, A. Abikoye, 

J. K. Rugutt, M. Anderson, M. Frazier 

217. Burning bridges in the biochemistry laboratory: 

Effects of reducing disulfide 

bonds on protein structure through HPLC 

analysis. J. G. Dickinson, 

A. F. Charlebois 

218. Mixing chemistry and adult-learners: A 

powerful reaction. A. Decatur, 

S. M. Schelble 

Section I 


Hall C 


Environmental Chemistry Cosponsored by 

ENVR and SOCED 


Organizers 

2:30–4:30 

219. Analysis of commercial discharges of 

various pollutants: A DEP industrial pretreatment 

program internship. 

G. Kouloumbes, P. Meleties, F. Jacques, 

P. Caroll, P. Svoronos 

220. Determination of the chlorine residual in 

water by the DPD. G. Song, P. Meleties, 

F. Jacques, P. Svoronos 

221. Summer internship at New York State’s 

Division of Environmental Protection: An 

application of what I learned in class to 

the real world. K. Lee, P. Meleties, 

F. Jacques, P. Svoronos 

222. Detection of nitrofuran metabolites in 

imported shrimp: An internship experience 

at the Food and Drug Administration. 

T. Fitzgerald, L. Graham, M. Fazio 

223. High pressure synthesis of water-splitting 

oxynitrides. P. Sharifi, W. Woerner, 

L. Ehm 

224. Effect of outdoor smoking on an indoor 

environment: A Brookhaven National 

Laboratory experience. C. Casas, 

J. Heiser 

225. Synthesis of imidazolium and pyrrolidinium 

ionic liquids for cellulose dissolution. 

F. Payen, S. Boursiquot, 

S. Lall-Ramnarine, M. Thomas, 

J. F. Wishart 

226. Synthesis and characterization of dialkylphosphate 

ionic liquids. M. Jalees, 

A. Castano, F. Payen, S. Boursiquot, 

T. Imtiaz, S. Lall-Ramnarine, M. Thomas, 

J. F. Wishart 

227. Effect of branched alkyl chains on the 

dynamical properties of ionic liquids. 

S. Ramati, K. Kerr, S. Lall-Ramnarine, 

J. F. Wishart 

228. Synthesis of eco-friendly plasticizers 

using curcumin di-esters. J. A. Saltos, 

K. Raja 

229. Ionic liquid based aqueous biphasic 

systems for the removal of dyes. M. Dilip, 

K. Dusoe 

230. Chemistry of “green” cleaners. M. Dilip, 

B. Spencer 

231. Comparative study of heavy metal ion 

adsoption by the ashes of local tree 

leaves: Oriental plane and common horse 

chestnut. E. Kaya, U. Erkirli, 

R. Celenligil Cetin, C. Z. Cermen 

232. Bacterial degradation of bisphenol A in 

the presence of various metal ions. 

A. Munis, R. Celenligil Cetin, 

C. Z. Cermen 

233. Analysis of microplastics in Corpus 

Christi’s marine environment. S. Garza, 

C. A. Smith 

234. Environmental implications and byproduct 

conversion of oil shale semicoke. 

B. A. Datangel, I. Kulaots, J. L. Goldfarb 





CHED 

TECH–23


235. Phosphate source-sink dynamics in a 

tidal freshwater ecosystem. 

A. M. Cardamone, D. Vasudevan 

236. Non-linear sorption of aromatic amines 

to aluminosilicate clays. T. A. Arey, 

D. Vasudevan 

237. Investigation of the SHArK (Solar Hydrogen 

Activity Research Kit) printing 

pattern with handheld X-ray fluorescence 

spectrometer. S. Fields, 

J. Joshua Thomas, A. Fillinger 

Section J 


Hall C 


Geochemistry Cosponsored by GEOC and 

SOCED 


Organizers 

2:30–4:30 

238. Leaching of arsenic from CCA-treated 

wood in a suburban setting: Field and 

spectroscopic study. T. M. Beg, J. Wu, 

S. Tjiong, Y. Tang 

Section K 


Hall C 


Inorganic Chemistry Cosponsored by INOR 

and SOCED 


Organizers 

2:30–4:30 

239. Determination of the molecular weight 

of a solute using microscale freezing 

point depression measurements. 

S. Zhavian, G. Subramaniam, P. Irigoyen, 

P. Svoronos 

240. Synthesis, characterization, and ion-exchange 

properties of metal-doped silicotitanate 

materials. C. Alexander, 

N. Genovia, J. R. Houston 

241. Metal-containing molecular wire candidates: 

Synthesis and characterization. 

K. Kush, A. Brooks, C. R. de Denus 

242. Activation of molecular nitrogen using 

Mo complexes with tris(phosphino)silyl ligands. 

A. J. Ingram, H. Broda, F. Tuczek 

243. Towards nanostructured photovoltaic 

devices based on ordered valve metal 

oxide-nanotubes. X. Van Meerbeek, 

A. Birkel, D. Koll, W. Tremel 

244. Multicationic organometallic dendrimers: 

Synthesis and intra- and intermolecular 

NMR characterization. R. Cordero, 

G. Proni, C. Zuccaccia, A. Macchioni 

245. Real structure and phase change properties 

of thermoelectric chalcogenides. 

M. Schneider, O. Oekler, L. K. Sposato 

Section L 


Hall C 


Medicinal Chemistry Cosponsored by MEDI 

and SOCED 


Organizers 

2:30–4:30 

246. Repurposing FDA-approved drugs as 

novel cancer therapeutics. J. John, 

S. Mahmoud, W. Dong, K. Bednarz, 

L. Pettit, J. I. Fasick 

24–TECH 


Section M 


Hall C 




Organizers 

2:30–4:30 

247. Studying low-temperature properties 

and energy content of new biodiesels derived 

from oils of plants growing in Northern 

Wisconsin and Minnesota. 

J. W. Lane, K. Hukriede, D. Koirala, 

A. Stewart, M. A. Waxman 

248. Synthesis of ketone-containing N-alkyl 

pyridones via gold(III)-catalysis. 

B. M. Klepser, N. A. Romero, 

C. E. Anderson 

249. Synthesis of �-iodo N-alkenyl pyridones 

bearing nitrogen substituents. 

G. S. Snapper, C. E. Anderson 

250. Synthesis of single geometric isomers 

of oxime ethers through palladium-catalyzed 

cross-coupling reactions. 

A. Bordelon, P. Flowers, J. Rhodus, 

A. Pandey, M. Lanier, J. Dinser, 

D. D. Dolliver, A. S. McKim 

251. Synthesis of N-alkoxyimidoyl tosylates. 

J. Rhodus, A. Pandey, A. Bordelon, 

P. Flowers, J. Dinser, M. Lanier, 

D. D. Dolliver, A. S. McKim 

252. Synthesis and characterization of blue 

light-emitting molecules for application in 

OLED technology. E. Bradic,C.Pharr 

253. Synthesis of carbazole-centered blue 

light-emitting organic molecules for use 

in organic light-emitting diodes. C. Nicka, 

C. Pharr 

254. Biocompatible boronic acid polymers 

prepared by atom transfer radical polymerization. 

Y. Lim, J. N. Cambre, D. Roy, 


255. Cyclooctyne modification of oligonucleotides 

for strain-promoted “click” bioconjugation. 

I. S. Marks, K. J. Landmark, 

J. Kang, T. Taton 

256. Reactivity of tris(trimethylsilyl)phosphite: 

Synthesis of bisphosphonate derivatives 

of �-alanine. A. Davalos, L. Vargas 

257. Computational studies of arsenate ester 

formation and hydrolysis in water and in 

aprotic solvents. S. Refua, J. Verdis 


259. Electroreductive cyclization of methyl 

cinnamate in the presence of nickel(II) 

salen: A mechanistic study. 

K. R. England, J. A. Miranda 


261. Computational and experimental studies 

of the reaction of chloroformates and 

chlorothioformates with tris(trimethylsilyl)phosphite. 

B. Shin, L. Vargas, 

J. Verdis 

262. Synthesis, colloidal, and anti-microbial 

studies on bicephalic (double-headed) 

amphiphiles. D. C. Warnock, 

K. L. Simmons, C. R. Schwantes, 

D. C. Flaherty, J. A. Willcox, R. W. Davis, 

J. E. Irby, K. P. Minbiole, K. Seifert, 

K. L. Caran 

263. Solid reduction of ketones using sodium 

borohydride/boric acid with chiral 

reagents. V. Liu, K. Thomas, 

D. Bourassa, U. Aleknaite, B. Yang, 

R. Gurney, N. Lee* 

264. Asymmetric [2�2] photodimerization 

crystal reactions. J. D. Wiseman, 

A. J. Bolokowicz, K. A. Wheeler 

265. Photoreactive crystalline cinnamoylsulfonamide 

racemates. A. E. Egan, 

S. A. Reeb, S. H. Malehorn, K. A. Wheeler 

266. Crystal reactions using self-assembled 

isocoumarin scaffolds. S. T. Karlson, 

K. A. Wheeler 

267. Kinetics of methylene blue release from 

weak polyelectrolyte multilayer films. 

R. T. Buckley, T. S. Durst, 

M. C. Kittredge, K. W. Kittredge 

268. Ring-contraction of benzazepine to 

quinoline. J. Baltonado, S. Karimi 

269. Electronic effects in the Kulinkovich hydroxycyclopropanation. 

T. Neuman, 

P. Pelphrey 

270. Microwave acceleration of trizaole synthesis 

by “click” chemistry. J. Hicks, 

J. C. Williams, Jr. 

271. Microwave polymerization to make antibiotic 

polymers. L. A. Crumbie, 

J. C. Williams, Jr., A. Amer 

272. Microwave acceleration of phosphonium 

salt synthesis and esterification reactions. 

A. Amer,L.A.Crumbie, 

J. C. Williams, Jr. 

273. Computational and experimental study 

of reductive amination of modified Ritter 

reaction products. D. Vasilchuk, 

C. Kellen-Yuen 

274. Efficient synthesis of (L)-4-fluorotryptophan. 

D. W. Konas, D. Seci, S. R. Tamimi 

275. Green synthesis of (E)-10,13-dimethyl- 

17-(6-methylheptan-2-yl)-2,3,4,7,8,9,10, 

11,12,13,14,15,16,17-tetradecahydro- 

1H-cyclopenta[a]phenanthren-3-yl 6-(4- 

(3-(4-methoxyphenyl)acryloyl)phenoxy) 

hexanoate. S. R. Malvaso,L.J.Tucker 

276. Investigations into the aza-conjugate 

addition of sulfonamides to 2-vinyl pyridine. 

R. T. Benning, D. L. Jacobs 

277. Design, synthesis, and evaluation of 

novel cyanoacrylamide polymers as 

drug-releasing bioadhesives. 

M. B. Elbaum,D.L.Jacobs 

278. Guided inquiry into the synthesis of bromo-chalcone 

analogs. E. Charobee 

279. Synthesis of symmetric ferrocene derivatives 

from 1,1�-diacetylferrocene. 

N. M. Lafontaine Vargas, 

M. R. Otano-Vega, 

R. Cardona-Couvertier, 

I. Montes-Gonzalez, 

A. Guadalupe-Quinones 

280. Organic synthesis of natural products: 

Lipoxin analogs. J. Pietruszka, A. Plate, 

S. Strong 

281. Polystyryl-BEMP as an efficient recoverable 

and reusable catalyst under solvent-free 

conditions. D. Lanari, J. Longo, 

L. Vaccaro 

282. Short C-C bonds. G. Markopoulos, 

M. Levin, H. Hopf 

283. Synthesis of photoswitchable N-heterocyclic 

carbenes. M. Stevens, 

E. O. Johnsen, S. Hecht 

284. Synthesis and biological studies of new 

gold(I) carbene complexes. K. Johnson, 

A. Meyer, I. Ott 

285. Magnetic nanoparticles with biofunctional 

shells. A. M. Schmidt, G. Marten, 

C. Ernst 

286. New routes to isoindolines by highly efficient 

palladium-catalysts. E. R. Jarvo, 

F. J. Williams, M. Dörr 

287. Total synthesis of attenol A. J. Colón, 

L. Tomas, D. Gueyrard, P. Goekjian 

288. Investigating the a-glucosidase inhibitory 

activity of some hydroxylated [13]macro-dilactones. 

D. Terwilliger, 

M. Martin, R. Ramsubhag, M. W. Peczuh 

289. Soft scorpionates of precious metals. 

L. Darby, J. Reglinski, M. Spicer 

290. Total synthesis of broussonetine H and 

N. J. Tom, B. Bourdon, L. Tomas, 

D. Gueyrard, P. Goekjian 

Section N 


Hall C 


Nanotechnology Cosponsored by SOCED 


Organizers 

2:30–4:30 

291. Antimicrobial activity of nano-silver in 

tris[3-(trimethoxysilyl)propyl] isocyanourate 

(TTPI) gels. M. Chauhan, 

M. Tawde, E. Kim, C. D. Echeverri, 

R. Lee 

292. Porous spheres of poly(o-toluidine) obtained 

by post-synthetic exposure to 

base. M. Murillo, D. M. Sarno 

293. Systematic study on the acid purification 

and functionalization of single-walled 

carbon nanotubes. E. Ahn, 

T. Hemraj-Benny 

294. Fabrication of p-n diodes using electrospun 

inorganic tin oxide nanofibers and 

organic semiconductors. 

K. V. Carrasquillo, N. J. Pinto, R. Agarwal 

295. Interaction of gold nanoparticles with 

nanofibers of polyaniline and sulfonic 

acid-substituted analogs. B. Persaud, 

M. M. Maye, D. M. Sarno 

296. Biosynthesis and characterization of 

colloidal metal nanoplates and nanoparticles. 

S. K. St. Angelo, E. L. Hartz 

297. Graphene growth using chemical vapor 

deposition. J. Fleming, M. Kelly, H. Xing 

298. Encapsulation of herbal components in 

glycodendrimers: Computational simulations 

and analyses. P. Chhetri 

299. Synthesis of large area graphene by 

chemical vapor deposition. 

N. Kawamoto, M. Berck, D. Singer, 

M. Chen, Z. Luo, A. Johnson 

300. Using FTIR to experimentally determine 

the mechanism of alcohol oxidation using 

Au, Pd, and bimetallic AuPd nanoparticle 

catalysts. R. Seepersad, A. Santa, 

J. M. Petroski 

301. Microchambers for microtubule assembly. 

R. Horvath, C. Breisch, M. Mahon, 

H. Goodson, M. Lieberman 

302. Synthesis of gold nano-shell by in situ 

generation of gold seeds on silica core. 

E. Grzincic, R. Wallen, B. Q. Li, 

K. Bandyopadhyay 

Section O 


Hall C 


Physical Chemistry Cosponsored by PHYS 

and SOCED 


Organizers 

2:30–4:30 

303. Intracavity laser absorption spectroscopy 

of platinum sulfide in the near infrared. 

K. Handler, L. C. O’Brien 

304. Using SERRS and visible extinction 

spectroscopy to study copper chlorophyllin. 

B. Karr, C. S. Schnitzer, 

P. G. House 

305. Formation energetics and reaction 

mechanisms of iron(II) and plutonium(IV) 

hydroxamate complexes. L. Kemp, 

J. L. Sonnenberg 

306. Formation energetics of uranyl hydroxamate 

complexes. B. Miller, 

J. L. Sonnenberg 

307. Kinetics of the thermal isomerization 

and decomposition reactions of gaseous 

ethylcyclopropane. H. Yi,D.K.Lewis, 

A. B. Campbell, E. R. Klein, B. L. Kalra 

308. Photochemistry of the liquid-vapor interface 

of saltwater. B. Ramos, 

J. Hasychak, H. Bluhm, M. J. Krisch 

309. Linear and cyclic molecular models of 

siloxanes: A DFT study of the Si-H bond 

activation. D. Sangobanwo, M. D. Bojin 

310. Arginine’s conformers in variable pH: A 

QM investigation. A. Esa,M.D.Bojin 

311. Exploration of the adsorption of 

K 6CoSiW 11O 39 to aminosilane-modified 

silica surfaces using EWCRDS. 

M. K. Robinson, M. A. Everest 

312. Preparation and characterization of silica 

functionalized with amino gradients. 

M. L. Cameron, M. A. Everest 






consent from ACS.

313. Debundling and characterization of 

SWNT functionalized with Zn-phthalocyanine 

oligomers. K. Lawrence, 

J. Bartelmess, J. J. Cid, T. Torres, 

D. M. Guldi 

314. Quantum-mechanical evaluation of the 

dielectric properties of phosphonic-acid 

based self-assembled monolayer used as 

surface modifiers. F. Thöle,H.Li, 

V. Coropceanu, J. Brédas 

315. Nature of active oxygen stored on 

highly dispersed Au catalysts. 

D. Widmann, J. Behm, E. Hocking 

Section P 


Hall C 


Polymer Chemistry Cosponsored by POLY 

and SOCED 


Organizers 

2:30–4:30 

316. Modeling a system of biomimetic microcapsules. 

J. Carpenter, 

A. Bhattacharya, A. C. Balazs 

317. Phenolic polymerization using Fe III - 

TAML system. K. E. Entwistle, 

D. Tshudy, T. J. Collins 

318. Alternative recycling of post-consumer 

PLA waste at a molecular level. 

C. Cacoq, A. E. Taylor, N. E. Lee, 

R. Gurney 

319. Hyperbranched perfluorinated polymers 

as proton exchange membrane materials. 

A. Mueller, S. K. Upadhaya 

320. Post-polymerization functionalization 

for the preparation of well-defined polymeric 

materials. P. Theato, P. Schattling, 

J. Schual-Berke 

Wheres the Good Stuff? Consumer Health 

Information, and Social Networking 

Resources and Services Sponsored by CINF, 

Cosponsored by CHED 


Section A 


Hall C 

Sci-Mix 

J. Smist, Organizer 

8:00–10:00 

41, 51, 52, 53, 54, 55, 57, 59, 60, 63, 65, 72, 

74, 77, 78, 84, 85, 86, 92. See previous 

listings. 

348, 350, 371, 376, 377, 395, 409, 423. See 

subsequent listings. 

Section B 


Hall C 

Successful Student Chapter Posters 

N. Bakowski, Organizer 

8:00–10:00 



Section A 

Seaport Hotel 


Forensics Chemistry: Its Impact on the 

Education of Recent Generations of 

Undergraduate Students 

L. Kaplan, Organizer, Presiding 


8:35 321. Forensic science: Its impact on 

the education of undergraduate science 

students. L. J. Kaplan 

8:55 322. Forensic chemistry education: 

What do crime laboratory directors want 

from universities graduating the next generation 

of forensic scientists? 

B. A. Fisher 

9:35 323. Forensic science and forensic 

chemistry programs at Sam Houston 

State University. P. A. Loeffler, 

D. L. Williams, J. C. Yu 


10:10 324. Tying together a multiple-discipline, 

team-taught forensic science 

course. M. B. Wells, J. Bartlett, T. Metz, 

C. Starita 

10:30 325. Making the next generation better: 

Emphasizing the “Chemistry” in forensic 

chemistry. S. Bell 

11:10 326. Forensic chemistry or instrumental 

analysis. D. D. Ensor, G. Mullins 

11:30 327. Some positive effects of forensic 

science on chemistry students. 

H. A. Harris 

Section B 

Seaport Hotel 


Advances in Teaching 

Analytical and Inorganic Chemistry 

A. Falke, Organizer, Presiding 


8:35 328. Reinventing analytical chemistry 

instruction at a public primarily undergraduate 

university. D. A. Nivens, 

J. Smith, E. Werner, C. Padgett 

8:55 329. Using (nearly) real problems to 

teach the analytical process: Student 

feedback and perceptions. S. Burris 

9:15 330. ANA-POGIL: Bringing process oriented 

guided inquiry learning to analytical 

chemistry. J. M. Lantz,R.Cole 

9:35 331. POGIL in the Instrumental Analysis 

class. A. Falke 


10:10 332. Analysis of performance-enhancing 

drugs in sports. T. C. Werner 

10:30 333. Simple method to determine the 

effects of electrolytes on the critical micelle 

concentration of sodium-n-dodecylbenzenesulfonate. 

M. Levine, L. Avila, 

T. Gani 

10:50 334. Lake Nakuru: A web-based case 

study to introduce pesticide analysis and 

GC-MS in the analytical curriculum. 

A. G. Cavinato 

11:10 335. Making connections to inorganic 

chemistry: The integrated lab experience 

at Merrimack College. A. L. Fernandez, 

C. B. McGowan, K. C. Swallow 

Section C 

Seaport Hotel 




M. Boucher, Organizer, Presiding 


8:35 336. Innovative studio-based approach 

to teaching organic chemistry. 

C. Collison, J. A. Cody, C. Stanford 

8:55 337. Using relationship analogies in 

teaching organic chemistry. F. Damkaci 

9:15 338. Use of electron energies and the 

Toulmin Argumentation Model to help 

sophomore organic students develop understanding 

of concepts and effective explanations 

for their conclusions. R. Libby 

9:35 339. Engaging students in science 

courses by re-visiting the Thayer method. 

R. L. Pennington, D. P. Pursell, 

J. C. Sloop 


10:10 340. Guided research project for the 

organic chemistry lab. K. M. Specht 

10:30 341. Undergraduate laboratory renaissance 

for organic chemistry. 

R. Gurney, N. Lee 

10:50 342. Choose your own (TLC) adventure: 

Designing a chromatography laboratory 

for first-semester organic students. 

M. A. Boucher 

11:10 343. Essential oil laboratory: Introduction 

to distillation, GC, GC/MS, and refractometry. 

C. McCartha 



Section A 

Seaport Hotel 


Forensics Chemistry: Its Impact on the 

Education of Recent Generations of 

Undergraduate Students 

L. Kaplan, Organizer, Presiding 


1:35 344. Forensic science at Fairfield University. 

A. S. Harper-Leatherman, 

J. R. Miecznikowski 

1:55 345. The National Academy of Sciences 

Forensic Sciences Report and forensic 

science education: Is a midcourse 

correction needed? J. A. Siegel 

2:35 346. Curricular and career changes 

catalyzed by a CWCS forensic science 

workshop. M. Goodman,P.J.Bush 


3:10 347. Seeing yellow: An activity on digital 

color documents. D. Tshudy 

3:30 348. Teaching forensic science: Bringing 

CSI into the classroom. R. Saferstein 

4:10 349. Using forensic science as a way to 

teach science to students of all ages. 

J. M. Petroski 

4:30 350. Chasing molecules in forensic undergraduate 

lab with CCD-based instrumentation. 

A. Y. Nazarenko 

Section B 

Seaport Hotel 

Seaport Ballroom C 

Process Oriented Guided Inquiry Learning 

(POGIL) 

R. Moog, Organizer, Presiding 


1:35 351. Introduction to POGIL and The 

POGIL Project. R. Moog 

1:55 352. Does size matter? A comparison 

of POGIL in small- and large-enrollment 

general chemistry courses. S. E. Shadle 

2:15 353. POGIL after the bell rings: What to 

do when time is up but the lesson isn’t. 

K. R. Woodrum 


2:50 354. Using POGIL in a predominantly 

pre-medical department. S. M. Lewis 

3:10 355. Assessment of student learning 

using POGIL in a biochemistry course. 

L. D. Frost 

3:30 356. Guided Inquiry in an OB course for 

pre-nursing students: A benefit to student 

learning. J. K. Abrahamson 


4:05 357. Discovering organic reaction 

mechanisms using POGIL and SWH, 

alone or in combination. F. J. Creegan 

4:25 358. POGIL and science writing heuristic 

hybrid experiments for sophomore organic 

laboratory. R. Libby 

4:45 359. Implementation of SWH as a laboratory 

instruction method in a large university: 

Facilitator training and program 

success. V. Lykourinou 


Section C 

Seaport Hotel 



Biochemistry and Physical Chemistry 

D. Vardar-Ulu, Organizer, Presiding 


1:35 360. Math as a second language: A 

new approach to math in the biochemistry 

classroom. B. Sandler 

1:55 361. Using molecular structures from 

the PDB for a visual and exploratory 

learning experience in biochemistry. 

S. Dutta, H. Berman 

2:15 362. Enhancing active learning: An inquiry-based 

laboratory in biomolecular 

chemistry at Michigan Technological University. 

P. Murthy, M. Thompson, 

K. Hungwe 

2:35 363. Writing in chemistry: An introduction 

to the elements of grant writing for 

biochemistry students with limited content 

knowledge. F. Rossi 

2:55 364. SERRS and visible extinction 

spectroscopy of copper chlorophyllin: A 

physical chemistry experiment. 

C. S. Schnitzer, P. G. House, B. Karr 


3:30 365. Teaching physical chemistry 

based on the PHYS division symposia of 

a National ACS Meeting. T. Hopkins 

3:50 366. Quantum chemistry for the small, 

mixed-needs cohort: A tutorial approach. 

K. E. Downey 

4:10 367. Customized laboratory experience 

in physical chemistry. K. J. Castle, 

S. M. Rink 

4:30 368. Student designed laboratory procedures 

in physical chemistry. J. Dudek, 

R. Dudek 

4:50 369. Student centered classroom activities 

for learning physical chemistry. 

R. C. Dudek 



Section A 

Seaport Hotel 


Research Ties between Chemical 

Education and Other Disciplines 

M. Oliver-Hoyo, Organizer, Presiding 


8:35 370. Educational research on the outcomes 

of activities supported by NSF 

STEP grant # 0622493, at New York City 

College of Technology - CUNY. 

P. A. Brown 

8:55 371. Chemistry new product development: 

An introductory chemistry course 

featuring science innovation and entrepreneurship. 

B. M. Comeau,D.I.Lewis, 

S. Bhatia 

9:15 372. Integrating green chemistry techniques 

into other disciplines: Minimizing 

art and biology department waste. 

A. J. Kabrhel, S. A. Hess, J. J. Becker 

9:35 373. Steady-state fluorescence applied 

to organized molecular systems: Aggregation 

number, polarity, and microenvironment 

viscosity of rhamnolipid aggregates. 

J. L. Jenkins, J. E. Pemberton, 

L. J. Begay, D. Belle-Oudry, R. M. Maier 

Section B 

Seaport Hotel 


NSF Catalyzed Innovations in the 

Undergraduate Curriculum 

C. A. Burkhardt, Organizer 

R. Boggess, Organizer, Presiding 


8:40 374. Innovative nanotechnology experiments 

for the undergraduate chemistry 

curriculum. B. Hillery, D. VanDorn, 

C. Wynter, S. Andreescu 





CHED 

TECH–25


9:05 375. Interdisciplinary learning experience 

in biophotonics. A. Gericke, 

R. J. Twieg, J. T. Gleeson, J. R. Stalvey, 

D. kline 

9:30 376. Measuring the effect of an instrument-intensive 

curriculum on student 

critical thinking skills at Boise State University. 

S. E. Shadle, D. L. Warner, 

E. C. Brown, M. H. Towns 


10:05 377. BRAIDing together the science 

disciplines. R. Sweeder 

10:30 378. Five years of change in the 

MTSU general education STEM curriculum: 

Where we began, where we are now 

and where we are going. 

J. M. Iriarte-Gross, M. R. Weller, 

K. Greer 


11:05 379. ChemCompanion, a digital text 

for the first-year college chemistry 

course. S. Wood, L. Seawright, G. Trevor, 

D. Macfarlane, S. Stacey 

11:30 380. ChemQuery as a formative assessment 

instructional strategy for Chem 

1. K. Scalise, A. Stacy, M. Douskey 


Section C 

Seaport Hotel 


Research in Chemical Education 

G. Bhattacharyya, Organizer 

S. Sandi-Urena, Presiding 


8:35 381. Efficacy of community college student 

participation in STEM research programs. 

C. J. Foley, N. A. Leonhardt 

8:55 382. Measuring student cognition during 

the learning of undergraduate organic 

chemistry. S. Schelble, K. Knaus 

9:15 383. Generating classroom cognition 

profiles during the assessment of learning 

of chemistry. K. Knaus, S. Schelble 

9:35 384. Representational competence in 

organic chemistry: Function to structure. 

H. Brinson, G. Bhattacharyya 


10:10 385. Interpretations of atomic representations: 

A comparative study of students 

and teachers. I. I. Salame, 

D. A. Krauss, S. Sarowar, S. Begum 

10:30 386. Results from Independent Laboratory 

Access for the Blind (ILAB) mainstream 

high school project years 1-3. 

C. A. Supalo, T. E. Mallouk, 

H. D. Wohlers, W. S. Carlsen 

10:50 387. Teachers’ perceptions of research-based 

labs in a high school 

chemistry curriculum. M. Pilarz, 

K. S. Kingery, G. C. Weaver 

11:10 388. Chemistry outreach programs: 

Can we tell if they help students learn? 

S. Burris, L. Pesterfield, E. Dumeyer 

Section D 

Seaport Hotel 


Where Goeth the Chemistry Textbook 

J. Reeves, Organizer 

D. Exton, Organizer, Presiding 


8:35 389. Where goeth our textbooks. 

J. Reeves, D. Exton 

8:55 390. Choices for higher education publishers. 

K. A. Peterson 

9:15 391. Chemistry textbooks: Where have 

we been? Where are we going? J. Kotz 


9:50 392. Perspectives of a wheeler-dealer 

in the textbook world. P. Kelter 

26–TECH 


10:10 393. One view of general chemistry 

textbook evolution and the textbook of 

the future. R. A. Pribush 

10:30 394. Chemistry, life, the universe and 

everything: A research-based general 

chemistry curriculum. M. Cooper, 

M. W. Klymkowsky 


Section A 

Seaport Hotel 


Teaching Science to Elementary Teachers 

L. Hogue, Organizer, Presiding 


1:35 395. Critical components of a college 

chemistry course for pre-elementary education 

majors: The evolution of a course. 

M. D. Duerst 

1:55 396. How do we teach elementary 

teachers. M. W. Moy 

2:15 397. Claims, evidence, and the scientific 

method. M. Sarquis, L. Hogue 

2:35 398. Professional development: Strategies 

and activities for pre-service and inservice 

teachers. D. A. Katz 


3:10 399. How a simple chemical analysis 

created a million jobs. D. Hicks 

3:30 400. Science in 3D: Drawing, dance, 

and drama. Z. M. Lerman 

3:50 401. Toys in the elementary classroom. 

J. L. Sarquis 

4:10 402. California mathematics and science 

partnership in Baldwin Park: Challenges 

and successes in sustainability 

and science educator professional development 

strategies. R. M. de Groot, 

C. Craney, A. Mazzeo 

4:30 403. Science integrated with children’s 

literature. L. Hogue 

Section B 

Seaport Hotel 


NSF Catalyzed Innovations in the 

Undergraduate Curriculum 

R. Boggess, Organizer 

C. A. Burkhardt, Organizer, Presiding 


1:35 404. Overview of NSF-DUE programs 

that support the education of STEM undergraduates. 

B. E. Holmes, E. Chang, 

S. Hixson, H. Sevian 



2:40 405. Engaging students in chemistry 

courses: Lessons from the Arctic. 

L. K. Duffy, C. Middlecamp, A. Godduhn, 

L. Nicholas-Figueroa, C. Fabbri 

3:00 406. Incorporating a meaningful research 

experience into the general chemistry 

curriculum through implementation 

of equipment for materials characterization. 

T. R. Wagner 

3:20 407. NMR spectroscopy: A tool for infusing 

experiential investigation into the 

community college chemistry curriculum. 

P. A. Martino 


3:50 408. Isothermal titration calorimetry in 

physical chemistry and biochemistry laboratories. 

L. C. O’Brien,C.Wei, 

N. Shabestary, C. De Meo 

4:10 409. Fostering learner independence 

and skill mastery in a bioanalytical laboratory 

course through guided inquiry. 

L. D. Frost, C. M. McGibony 

4:30 410. Promoting student engagement in 

the analytical process: An instrumentation-based 

quantitative analysis laboratory. 

M. B. Jensen 


Section C 

Seaport Hotel 


Research in Chemical Education 

G. Bhattacharyya, Organizer, Presiding 


1:35 411. Assessment of the integration of 

online homework into general chemistry 

and its impact on student learning. 

I. I. Salame,S.A.Bacchus 

1:55 412. Form-based reflective journaling 

as a vehicle to facilitate self-direction in 

large lecture courses. P. A. Mabrouk 

2:15 413. Investigation into general chemistry 

student responses to a variety of 

teaching tools. G. A. Brown Wright 


2:50 414. Evaluation of peer-led team learning 

and the potential of the Human Constructivist 

learning theory. S. E. Lewis, 

J. L. Shaw 

3:10 415. Learning in the general chemistry 

laboratory: Student and TA gains in different 

instructional environments. 

S. Sandi-Urena, T. Gatlin, T. Eckart 

3:30 416. Design of an instrument for the assessment 

of college students’ epistemological 

sophistication. T. A. Gatlin, 

S. Sandi-Ureña 


4:05 417. General chemistry students’ understanding 

of nanoscience: A continuous 

study. A. K. Szeto, G. X. Ortiz 

4:25 418. The numeracy project: Analyzing 

the connection of quantitative literacy to 

achievement in general chemistry 

courses. T. L. Neal, C. Geary 

Section D 

Seaport Hotel 


Where Goeth the Chemistry Textbook 

D. Exton, Organizer 

J. Reeves, Organizer, Presiding 


1:35 419. Fully assignable, interactive general 

chemistry textbook. W. J. Vining, 

S. Young, R. Day, B. Botch 

1:55 420. Options for reducing textbook 

costs for students. D. A. Katz, 

G. Buck-Rodriguez, K. Feuling, 

N. Lenihan, K. Meyers, S. Pritchett, 

R. Simpson 

2:15 421. Online textbooks are more than an 

online book: The development of ChemPaths 

online student portal. J. M. Shorb, 

J. W. Moore 


2:50 422. Print is dead: A year without textbooks 

in General and Organic Chemistry. 

D. M. Bartley, M. A. Benvenuto, 

J. E. Stevens, M. J. Mio 

3:10 423. Use of the Amazon Kindle DX in 

an introductory chemistry class. 

M. J. Kenney, M. Mentch 



Section A 

Seaport Hotel 



C. Jaworek-Lopes, Organizer, Presiding 


8:05 424. Teaching stereochemistry: Proposal 

for a terminology of chiral but not 

asymmetric chemical structures that 

would eliminate the existing confusion. 

J. Gal 

8:25 425. Chemistry, geometry and art: 

Constructing arbitrary fullerenes with 

beads. B. Jin, C. Chuang, C. Tsoo 

8:45 426. Inquiry-based learning in science 

camp for girls in Tanzania. I. I. Salame 


9:20 427. Implementing a new course on integrating 

science education research into 

secondary school science. I. I. Salame 

9:40 428. Promoting student learning 

through collaboration: Application to 

small and large classes. G. A. Crosby, 

J. L. Crosby, A. D. Crosby 

10:00 429. Development of a new class in 

energy and fuels. L. M. Pratt 


10:35 430. Energy science: Teaching chemistry 

and physics to non-science majors 

in a context relevant to their lives. 

C. R. Pharr, C. Chambers 

10:55 431. Mobile laboratory for the in-situ, 

non-destructive studies of works of art: 

Capturing students’ interest in chemistry 

at an Art and Design college. 

E. Del Federico 

11:15 432. Diversity among chemistry faculty: 

Implications for initiatives to revitalize 

chemistry. B. D. Barker 

Section B 

Seaport Hotel 



C. Jaworek-Lopes, Organizer, Presiding 


8:05 433. Implementation and impact of a 

supplemental course taught in conjunction 

with general chemistry. 

S. Y. McGuire, E. Cook 

8:25 434. Helping General Chemistry students 

solve problems. D. B. Dizon, 

P.DeGeorge,J.T.Moore,R.H.Langley 

8:45 435. Effects of implementing a webbased 

math tutorial in a large lecturestyle 

general chemistry course: Re- 

MATCH positively affects student 

performance and attitudes in a two-year 

study. M. Barker, J. A. Heppert 


9:20 436. Spiral curricular approaches in 

General Chemistry: Increasing the conceptualization 

and the retention of knowledge 

for future applications. 

M. P. Masingale, J. D. Masingale 

9:40 437. Developing a scoring rubric for 

learning evaluation in an inquiry-based 

curriculum of chemistry laboratory. 

H. Chen,M.Chiu 


10:15 438. Analytical chemistry as an honors-level 

alternative to the traditional 

freshmen chemistry lab. B. Abrams 

10:35 439. Stoichiometry: Multi-tiered approaches 

to learning. H. Gendreau, 

B. Bridges 

10:55 440. Green chemistry in the high 

school laboratory. M. A. Walker, 

J. C. Proetta 

11:15 441. Chemistry II: From proposal to 

reality. S. Deratzou 

Section C 

Seaport Hotel 


Busted: Myths of a Chemical Nature 

Cosponsored by HIST 

C. Giunta, Organizer, Presiding 


8:05 442. Inorganic myths in the freshman 

textbook. W. B. Jensen 

8:35 443. Metal-nonmetal dividing line in the 

periodic table: A chemical myth? 

G. S. Girolami 






consent from ACS.

9:00 444. Fact and fiction of nitrogen-filled 

tires for enhanced automotive performance. 

S. C. Rasmussen,K.R.Radke 



10:05 446. Resonance structures: What they 

are and what they aren’t. C. J. Giunta 

10:30 447. “Death” of vitalism: Myth and 

reality. V. V. Mainz 

CHAS 


Health and Safety 

D. M. Decker, Program Chair 


Section A 


Room 213 

Awards Symposium 

D. Walters, Organizer, Presiding 


1:35 1. Reflections on fifteen years in health 

and safety in academia. D. M. Decker 

1:55 2. Laboratory safety at Princeton. 

R. M. Izzo 

2:15 3. Understanding the safe use and limitations 

of laboratory fume hoods, biological 

safety cabinets and ventilated balance 

enclosures. A. T. Chinni, J. R. Rizzo 

2:35 4. Laboratory ventilation: 2010 Revision 

of ANSI Z9.5. L. DiBerardinis 

2:55 5. Beyond ANSI/ASHRAE 110: Factoring 

turbulent intensity into the chemical 

fume hood test protocol. F. Memarzadeh 

Section A 


Room 213 

Ask Dr. Safety: About Handling Air/Water 

Reactive and Pyrophoric Materials 

N. Langerman, Organizer, Presiding 


3:35 6. Nature of the pyrophoric beast: A review 

and comparison of safety approaches 

in academic, government, and 

industrial settings. D. Bunzow, R. Kelly 

3:55 7. Utilizing solvent recycling and other 

methods to reduce quantities of hazardous 

waste generated. S. Brehio 

4:15 8. ATOMICS in action: An injury-free 

career at Los Alamos National Lab. 

M. Montalvo 



Section A 


Room 213 

Considering the Human Element 

Hazards Analysis and Accident 

Investigation 

D. M. Decker, Organizer 

K. Jeskie, Organizer, Presiding 


9:05 9. Fundamentals of human performance 

improvement: Part I. M. McIntosh 


9:55 10. Fundamentals of human performance 

improvement: Part 2. 

M. McIntosh 


10:45 11. Using human performance fundamentals 

while investigating events in a 

fundamental chemistry research organization. 

M. Ross 

11:10 12. “They did what?!” Fighting our 

own human instincts so we can learn 

from minor laboratory accidents. 

K. Jeskie 


the Interface 







Section A 


Room 213 

Considering the Human Element 

How we Prepare Chemists for Work 


K. Jeskie, Organizer, Presiding 


12:35 13. Human factors in accident prevention. 

R. Lippman 

1:00 14. Old hazards don’t change, but 

older researchers do. K. P. Fivizzani 


1:40 15. Training strategies for high 

throughput user facilities. J. M. Pickel 

2:05 16. Learning not to repeat someone 

else’s mistakes. K. Jeskie 


Section A 


Room 213 

The School Chemical Cleanout Campaign 

(SC3) Needs You 

R. Phifer, Organizer, Presiding 


3:05 17. Schools chemical cleanout campaign 

(SC3): ACS/EPA partnership. 

K. Meson 

3:25 18. Chemical management for the future: 

How universities can assist k-12 

schools with safe chemical management. 

S. Morin 

3:45 19. Keeping our schools safe: The importance 

of responsible chemical management 

from a k-12 teacher’s perspective. 

J. Miele 

4:05 20. How you can help your school district 

manage their chemicals. R. Phifer 


the Interface 





PRES 



Hall C 

Sci-Mix 


8:00–10:00 

21. Did I really see that? Can you spot the 

hazard. F. K. Wood-Black 

22. Division of Chemical Health and Safety. 

D. M. Decker 


Section A 


Room 213 

Chemical Life Cycle Management 

L. M. Stroud, Organizer, Presiding 


9:05 23. Web-based relational chemical and 

product database. G. R. Thompson 

9:25 24. State of chemical surplus sharing 

programs at colleges and universities. 

M. W. Weil 

9:45 25. “Green” criteria to support green 

principles. G. R. Thompson 

10:05 26. Web-based modules for assessment 

of “green” chemicals, products, 

processes and waste. G. R. Thompson 


10:40 27. Lean six sigma tools for a Glovebox 

Glove Integrity Program. 

M. E. Cournoyer 

11:00 28. Enhancing the shelf-life and safety 

of peroxide-forming solvents. A. Apblett, 

N. Materer, D. Bussan 

11:20 29. Shelf life and storage of chemicals: 

Applications for chemical inventory 

management. I. G. Cesa 

11:40 30. Full lifecycle approach to chemical 

safety management. K. Blake 


Laboratory Safety Sponsored by PRES, 

Cosponsored by CCS, CHAS 


Section A 


Room 213 

Chemistry in Preventing and Combating 

Disease 

R. Hill, Organizer, Presiding 


8:35 31. Synthetic versions of cellular materials: 

Potential new therapies and risks. 

C. Mickelson 

8:55 32. Fighting global tuberculosis with 

chemistry. J. S. Baum 

9:15 33. Non-invasive means for estimating 

a smoker’s uptake of harmful chemicals. 

C. H. Watson 

9:35 34. Application of chemistry to end-of 

service life determination of personal protective 

equipment. J. L. Snyder 


10:10 35. Using soyscreen in an oil-based 

biopesticide formulation to protect Beauveria 

bassiana conidia from degradation 

by ultraviolet light energy. R. W. Behle, 

D. L. Compton, J. A. Laszlo 

10:30 36. Determination of �–amanitin in human 

urine by negative ion MRM and LC/ 

MS/MS. C. Pittman, S. Lemire, L. Swaim, 

R. Johnson 

10:50 37. Ultra-trace determination of beryllium 

in occupational hygiene samples. 

K. Ashley 

11:10 38. Determination of total reactive isocyanate 

group (TRIG) using 1,8-diaminonaphthalene 

(DAN) as a derivatizing 

reagent. R. P. Streicher, D. Bello, 

F. Nourian, K. Ernst 


CINF 


Information 

R. Guha, Program Chair 


Data Analysis: Statistics on 

Chemicals (see COMP, Thu) 

The Journal of Chemical Information 

and Modeling’s 50th Anniversary 

Symposium (see COMP, Mon) 

Computer Modeling: The Wave of the 

Future and its Benefits for Small 

Business Owners (see SCHB, Thu) 

Drugging the Undruggable: Small 

Molecule Modulators of Protein- 

Protein Interactions (see MEDI, Mon) 


Luncheon, 12:00-1:30 PM: Tue 

CINF Welcoming Reception and 

Scholarship for Scientific Excellence 

Posters, 6:30-8:30 PM: Sun 

Harry’s Party, 5:30-8:00 PM: Mon 

Herman Skolnik Award Reception, 

6:30-8:30 PM: Tue 


Section A 


Room 156A 

Semantic Web in Chemistry 

RDF & Computation Cosponsored by COMP 

M. Braendle, Organizer 

E. Willighagen, Organizer, Presiding 


8:55 1. Semantic envelopment of cheminformatics 

resources with SADI. 

L. L. Chepelev, E. Willighagen, 

M. Dumontier 

9:40 2. RESTful RDF web services for predictive 

toxicology. N. Jeliazkova 


10:25 3. Linking the resource description 

framework to cheminformatics and proteochemometrics. 

E. L. Willighagen, 

J. E. Wikberg 

10:55 4. Chemical e-Science Information 

Cloud (ChemCloud): A semantic web 

based eScience infrastructure. 

A. Paschke, S. Heineke 

11:25 5. Use of semantic web services to 

access small molecule ligand database. 

A. P. Tamhankar, A. S. Ausekar 

Section B 


Room 155 

Assessing Collections & Information 

Resources in Science & Technology 

Financially sponsored by SLA CHEM 

E. Kajosalo, Organizer, Presiding 

CHED/CHAS/CINF 


9:05 6. Usage metrics: Tools for evaluating 

science monograph collections. 

M. M. Foss, V. Kisling, S. Haas 

9:30 7. Happily ever after or not: E-book collection 

usage analysis and assessment at 

USC Library. N. Xiao 

9:55 8. From Chemical Abstracts to 

SciFinder: Transitioning to SciFinder and 

assessing customer usage. S. Makar, 

S. Bruss 


10:35 9. Using Web of Knowledge to identify 

publishing and citation patterns of 

campus researchers at the University of 

Arkansas. L. Salisbury,J.S.Smith 





TECH–27

CINF TECHNICAL PROGRAM 

11:00 10. Don’t forget the qualitative: Including 

focus groups in the collection assessment 

process. S. Shepherd, 

T. M. Vogel 


Sponsored by CHED, Cosponsored by CINF 

and YCC 

Tautomers and Biology 

Computer Handling of Tautomers 

Sponsored by COMP, Cosponsored by CINF, 

MEDI, and PHYS 


Section A 


Room 156A 

Data-intensive Drug Design Cosponsored by 

COMP 

J. Van Drie, Organizer, Presiding 


1:50 11. Strategies for the identification and 

generation of informative compound sets. 

M. S. Lajiness 

2:15 12. Public-domain data resources at 

the European Bioinformatics Institute and 

their use in drug discovery. C. Steinbeck 

2:40 13. Decision making in the face of 

complicated drug discovery data using 

the Novartis system for virtual medicinal 

chemistry (FOCUS). D. Chin 

3:05 14. Integrating chemical and biological 

data: Insights from 10 years of VERDI. 

S. Roberts, W. P. Walters, 

R. McLoughlin, P. Gabriel, J. Willis, 

T. Kramer 


3:45 15. Collaborative database and computational 

models for tuberculosis drug 

discovery decision making. S. Ekins, 

J. Bradford, K. Dole, A. Spektor, 

K. Gregory, D. Blondeau, M. Hohman, 

B. A. Bunin 

4:10 16. Data drive life sciences: The Pyramids 

meet the Tower of Babel. R. Guha 

4:35 17. Design principles for diversity-oriented 

synthesis: Facilitating downstream 

discovery with upfront design. 

L. Marcaurelle 

5:00 18. Overview: Data-intensive drug design. 

J. H. Van Drie 

Section B 


Room 155 

Assessing Collections & Information 

Resources in Science & Technology 

Financially supported by SLA CHEM 

E. Kajosalo, Organizer, Presiding 

2:00 19. Data-driven development: How 

ACS Publications uses data to enhance 

products and services, and respond to 

customer needs. M. Blaney, S. Rouhi 

2:25 20. Objective collections evaluation using 

statistics at the MIT Libraries. 

M. Willmott, E. Kajosalo 

2:50 21. Getting the biggest bang for your 

buck: Methods and strategies for managing 

journal collections. G. Baysinger 

3:15 22. Taking a collection down to its elements: 

Using various assessment techniques 

to revitalize a library. L. Solla 


Scripting & Programming 

HPC on the Cheap Sponsored by COMP, 

Cosponsored by CINF 



and YCC 

Using Waters Explicitly in Drug Discovery 

Theory and Methods Sponsored by COMP, 

Cosponsored by CINF and MEDI 

28–TECH 



Westin Boston Waterfront 

Harbor Ballroom I 

2010 CINF Scholarship for Scientific 

Excellence Financially supported by FIZ 

Chemie Berlin 

G. Grethe, Organizer 

6:30–9:30 

23. Predicting specific inhibition of cyclophilins 

A and B using docking, growing, and 

free energy perturbation calculations. 

S. V. Sambasivarao, O. Acevedo 

24. Using aggregative web services for drug 

discovery. Q. Zhu, M. S. Lajiness, 

D. J. Wild 

25. Semantifying polymer science using ontologies. 

E. O. Cannon, A. Nico, 

P. Murray-Rust 

26. Toxicity reference database (ToxRefDB) 

to develop predictive toxicity models and 

prioritize compounds for future toxicity 

testing. H. Tang, H. Zhu, L. Zhang, 

A. Sedykh, A. Richard, I. Rusyn, 

A. Tropsha 

27. OrbDB: A database of molecular orbital 

interactions. M. A. Kayala, 

C. A. Azencott, J. H. Chen, P. F. Baldi 

28. Novel approach to drug discovery integrating 

chemogenomics and QSAR modeling: 

Applications to anti-Alzheimer’s 

agents. R. Hajjo,S.Wang,B.L.Roth, 

A. Tropsha 

29. Cheminformatics improvements by combining 

semantic web technologies, cheminformatical 

representations, and chemometrics 

for statistical modeling and 

pattern recognition. E. L. Willighagen 

30. Prediction of consistent water networks 

in uncomplexed protein binding sites 

based on knowledge-based potentials. 

M. Betz, G. Neudert, G. Klebe 

31. Functional binders for non-specific binding: 

Evaluation of virtual screening methods 

for the elucidation of novel transthyretin 

amyloid inhibitors. C. J. Simões, 

T. Mukherjee, R. M. Jackson, R. M. Brito 


Section B 


Room 155 


OWL Chemical Ontologies Cosponsored by 

COMP 

E. Willighagen, Organizer 

M. Braendle, Organizer, Presiding 

8:30 32. Using the oreChemexperiments ontology: 

Planning and enacting chemistry. 

J. G. Frey, M. I. Borkum, C. Lagoze, 

S. J. Coles 

9:15 33. CHEMINF: Community-developed 

ontology of chemical information and algorithms. 

L. L. Chepelev, J. Hastings, 

E. Willighagen, N. Adams, C. Steinbeck, 

P. Murray-Rust, M. Dumontier 


10:00 34. Chemical entity semantic specification: 

Knowledge representation for efficient 

semantic cheminformatics and facile 

data integration. L. L. Chepelev, 

M. Dumontier 

10:30 35. Semantic assistant for lipidomics 

researchers. A. Kouznetsov, R. Witte, 

C. J. Baker 

11:00 36. ChemicalTagger: A tool for semantic 

text-mining in chemistry. 

L. Hawizy, D. M. Jessop, P. Murray-Rust 

Section A 


Room 156A 

The Journal of Chemical Information and 

Modeling’s 50th Anniversary Symposium 

Cosponsored by COMP 

W. Jorgensen, Organizer, Presiding 


8:55 37. From canonical numbering to the 

analysis of enzyme-catalyzed reactions: 

32 years of publishing in JCIM (JCICS). 

J. Gasteiger, J. Gasteiger 

9:25 38. Fifteen years of JCICS. G. W. Milne 

9:55 39. Fifteen years in chemical informatics: 

Lessons from the past, ideas for the 

future. D. Agrafiotis 


10:40 40. Applications of wavelets in virtual 

screening. V. Gillet, R. Martin, 

E. Gardiner, S. Senger 

11:10 41. Privileged substructures revisited: 

Target community-selective scaffolds. 

J. Bajorath 

11:40 42. Automated retrosynthetic analysis: 

An old flame rekindled. P. Johnson, 

A. P. Cook, J. Law, M. Mirzazadeh, 

A. Simon 


Predictions of Tautomer Ratios Sponsored 

by COMP, Cosponsored by CINF, MEDI, and 

PHYS 






Section B 


Room 155 

Wheres the Good Stuff? Consumer Health 

Information, and Social Networking 

Resources and Services Cosponsored by 

CHED 

A. Twiss-Brooks, Organizer, Presiding 

1:00 43. Dietary supplements: Free evidence-based 

resources for the cautious 

consumer. B. Erb 

1:25 44. What lessons learned can we generalize 

from evaluation and usability of a 

health website designed for lower literacy 

consumers? M. J. Moore,R.G.Bias 

1:50 45. National Library of Medicine resources 

for consumer health information. 

M. Eberle 

2:15 46. Better prescription for information: 

Dietary supplements online. 

G. Y. Hendler 

Section A 


Room 156A 


RDF/OWL Applications Cosponsored by 

COMP 

M. Braendle, Organizer 

E. Willighagen, Organizer, Presiding 

1:15 47. Overview of the linking open drug 

data task. E. Prudhommeaux, 

E. Willighagen, S. Stephens 

2:00 48. Control, monitoring, analysis and 

dissemination of laboratory physical 

chemistry experiments using semantic 

web and broker technologies. J. G. Frey, 

S. Wilson 


2:45 49. Semantic analysis of chemical patents. 

D. M. Jessop, L. Hawizy, 

P. Murray-Rust, R. C. Glen 

3:15 50. Data mining and querying of integrated 

chemical and biological information 

using Chem2Bio2RDF. D. J. Wild, 

B. Chen, Y. Ding, X. Dong, H. Wang, 

D. Jiao, Q. Zhu, M. Sankaranarayanan 

3:45 51. Mining and visualizing chemical 

compound-specific chemical-gene/disease/pathway/literature 

relationships. 

Q. Zhu, P. Purohit, J. Youl Choi, S. Bae, 

J. Qiu, Y. Ding, D. Wild 


4:20 CINF Open Meeting 

4:30 Open Meeting. Committees on Publications 

and Chemical Abstracts Service 

Section B 


Room 155 

CINFlash 

Can You Present Faster Than a 

Femtosecond Laser? 

R. Guha, Organizer, Presiding 








Sponsored by COMP, Cosponsored by CINF 


Characterization and Applications 


and MEDI 



Hall C 

Sci-Mix 

R. Guha, Organizer 

8:00–10:00 

2, 6, 20, 28, 31. See previous listings. 

78, 91. See subsequent listings. 


Section A 


Room 156A 

Herman Skolnik Award Symposium 

The Marriage, or at Least Dating, of 

Molecular Simulation and Modeling with 

QSAR Analysis: Exploring Chemometric 

Methods 

E. X. Esposito, Organizer 

A. Hopfinger, Organizer, Presiding 


8:30 52. What makes polyphenols good antioxidants? 

Alton Brown, you should take 

notes. . . E. X. Esposito 

9:15 53. Engineering and 3D protein-ligand 

interaction scaling of 2D fingerprints. 

J. Bajorath 


10:15 54. In silico binary QSAR models 

based on 4D-fingerprints and MOE descriptors 

for prediction of hERG blockage. 

Y. Tseng 

11:00 55. Telling the good from the bad and 

the ugly: The challenge of evaluating 

pharmacophore model performance. 

R. D. Clark 


Tautomers and Macromolecule-ligand 

Complexes Sponsored by COMP, 

Cosponsored by CINF, MEDI, and PHYS 










consent from ACS.


Section A 


Room 156A 

Herman Skolnik Award Symposium 

The Marriage, or at Least Dating, of 

Molecular Simulation and Modeling with 

QSAR Analysis: Exploring Chemical 

Systems 

A. Hopfinger, Organizer 

E. X. Esposito, Organizer, Presiding 

2:00 56. Creative application of ligandbased 

methods to solve structure-based 

problems: Using QSAR approaches to 

learn from protein crystal structures. 

C. M. Breneman, S. Das, M. Sundling, 

M. Krein, S. Cramer, K. P. Bennett, 

C. Bergeron, J. Zaretzki 

2:45 57. Computer-aided drug discovery. 

W. L. Jorgensen 


3:45 58. Structure-based discovery and 

QSAR methods: A marriage of convenience. 

J. S. Duca 

4:30 59. Extending the QSAR Paradigm using 

molecular modeling and simulation. 

A. J. Hopfinger 

5:15 Presentation of Award 


Hybrid Explicit/Implicit Methods Sponsored 

by COMP, Cosponsored by CINF and MEDI 


Section A 


Room 156A 

The Emerging Concepts of Activity 

Landscapes and Activity Cliffs and their 

Role in Drug Research Cosponsored by 

COMP and MEDI 

G. Maggiora, M. Lajiness, Organizers 

J. Bajorath, Organizer, Presiding 


9:00 60. Overview of activity landscapes 

and activity cliffs: Prospects and problems. 

G. M. Maggiora 

9:30 61. Exploring and exploiting the potential 

of structure-activity cliffs. 

G. M. Maggiora, M. S. Lajiness 

10:00 62. What makes a good structure activity 

landscape? Network metrics and 

structure representations as a way of exploring 

activity landscapes. R. Guha 


10:45 63. Consensus model of activity landscapes 

and consensus activity cliffs. 

J. L. Medina-Franco, 

K. Martinez-Mayorga, F. Lopez-Vallejo 

11:15 64. R-Cliffs: Activity cliffs within a single 

analog series. D. Agrafiotis 

Section B 


Room 155 

Recent Progress in Chemical Structure 

Representation 

Applications and Tools 

R. Apodaca, Organizer, Presiding 


9:05 65. Chemical structure representation 

in the DuPont Chemical Information Management 

Solutions database: Challenges 

posed by complex materials in a diversified 

science company. M. A. Andrews, 

E. S. Wilks 

9:35 66. From deposition to application: 

Technologies for storing and exploiting 

crystal structure data. C. R. Groom, 

J. Cole, S. Bowden, T. Olsson 

10:05 67. Recent IUPAC recommendations 

for chemical structure representation: An 

overview. J. Brecher 


10:50 68. Orbital development kit. 

E. L. Willighagen 

11:20 69. Line notations as unique identifiers. 

K. Boda 


Section A 


Room 156A 



Role in Drug Research Cosponsored by 

COMP and MEDI 

J. Bajorath, M. Lajiness, Organizers 

G. Maggiora, Organizer, Presiding 

2:00 70. Analysis of activity landscapes, activity 

cliffs, and selectivity cliffs. 

J. Bajorath 

2:30 71. Using Activity Cliff Information in 

structure-based design approaches. 

B. Seebeck, M. Wagener, M. Rarey 

3:00 72. Exploring activity cliffs using large 

scale semantic analysis of PubChem. 

D. J. Wild, B. Chen, Q. Zhu 

3:30 73. Quantifying the usefulness of a 

model of a structure-activity relationship: 

The SALI Curve Integral. J. H. Van Drie, 

R. Guha 


Section B 


Room 155 

Recent Progress in Chemical Structure 

Representation 

File Formats and Line Notations 

R. Apodaca, Organizer, Presiding 

2:00 74. Status of the InChI and InChIKey algorithms. 

S. Heller 

2:30 75. Self-contained sequence representation 

(SCSR): Bridging the gap between 

bioinformatics and cheminformatics. 

K. T. Taylor, W. L. Chen, B. D. Christie, 

J. L. Durant, D. L. Grier, B. A. Leland, 

J. G. Nourse 


3:15 76. Representation of Markush structures: 

From molecules toward patents. 

S. Csepregi,N.Máté, R. Wágner, 

T. Csizmazia, S. Dóránt, E. Bíró, 

T. Dudgeon, A. Baharev, F. Csizmadia 

3:45 77. CSRML: A new markup language 

definition for chemical substructure representation. 

C. H. Schwab, B. Bienfait, 

J. Gasteiger, T. Kleinoeder, J. Marucszyk, 

O. Sacher, A. Tarkhov, L. Terfloth, 

C. Yang 


Section A 


Room 156A 


Characterization and Prediction 


8:45 78. Prediction of solvent physical properties 

using the hierarchical clustering 

method. T. M. Martin,D.M.Young 

9:10 79. Scaffold diversity analysis using 

scaffold retrieval curves and an entropybased 

measure. J. L. Medina-Franco, 

K. Martinez-Mayorga, A. Bender, T. Scior 

9:35 80. Nonsubjective clustering scheme 

for multiconformer databases. 

A. B. Yongye,A.Bender, 

K. Martinez-Mayorga 


10:10 81. Finding drug discovery “rules of 

thumb” with bump hunting. 

T. Hashimoto, M. Segall 

10:35 82. Machine learning in discovery research: 

Polypharmacology predictions as 

a use case. N. Wale, K. McConnell, 

E. M. Gifford 

11:00 83. Interpretable correlation descriptors 

for quantitative structure-activity relationships. 

J. D. Hirst 


Future and its Benefits for Small Business 

Owners Sponsored by SCHB, Cosponsored 

by CINF, COMP, and PROF 

Targeting Gram-Negative Pathogens 


and MEDI 


Section A 


Room 156A 


Extraction and Integration 

R. Guha, Organizer 

X. Wang, Presiding 

1:30 84. Chemistry in your hand: Using mobile 

devices to access public chemistry 

compound data. A. J. Williams, 

V. Tkachenko 

1:55 85. Feature analysis of ToxCast TM 

compounds. P. Volarath, S. Little, 

C. Yang, M. Martin, D. Reif, A. Richard 

2:20 86. Extracting information from the IU- 

PAC Green Book. J. G. Frey, 

M. I. Borkum 

2:45 87. Biologics and biosimilars: One and 

the same? R. Schenck 


3:20 88. Intelligent mining of drug information 

resources. R. Jain, A. Tamhankar, 

A. Ausekar, Y. Dixit 

3:45 89. Cheminformatics semantic grid for 

neglected diseases. P. J. Kowalczyk 

4:10 90. Extraction and integration of chemical 

information from documents. 

H. O. Villar, J. Betancort, M. R. Hansen 

4:35 91. SAR and the role of active-site waters 

in blood coagulating serine proteases: 

A thermodynamic analysis of ligand-protein 

binding. N. K. Salam, 

W. Sherman, R. Abel 

Data Analysis: Statistics on Chemicals 




and MEDI 

TOXI 


Toxicology 

K. Mitra, Program Chair 


Section A 


Room 252B 


K. Mitra, Organizer, Presiding 

8:00 1. Structure and stability of duplex 

DNA bearing an aristolactam II-dA adduct: 

Insights into lesion mutagenesis 

and repair. M. Lukin, T. Zaliznyak, 

C. R. De los Santos 

8:20 2. Gold nanoparticles can reduce cell 

proliferation by altering plating surfaces. 

A. M. Keene,K.M.Tyner 

8:40 3. Formation and in-vivo replication 

studies of bulky DNA lesions induced by 

reactive oxygen species. Y. Wang, 

J. Wang, B. Yuan, C. Guerrero, J. Wang 

9:00 4. LASSO-ing potential pregnane X receptor 

agonists. S. Ekins, A. J. Williams, 

Z. Zsoldos, A. Simon, O. Ravitz, 

V. Tkachenko 

9:20 5. In vivo formation and repair of 1,3butadiene-induced 

DNA-DNA crosslinks. 

N. Tretyakova 

9:40 6. Find a needle in a haystack: Recent 

studies on drug-induced testicular toxicity. 

M. Song, N. Greene, 

R. E. Robert Chapin2 


10:20 7. Analysis of 4-hydroxy-1-(3-pyridyl)- 

1-butanone-releasing DNA adducts in 

human exfoliated oral mucosa cells by 

liquid chromatography-electrospray ionization-tandem 

mass spectrometry. 

I. Stepanov, J. Muzic, J. Jensen, 

D. Hatsukami, S. S. Hecht 

10:40 8. Prediction of mixture interactions 

via cellular stress response. J. W. Boyd, 

X. Gao, H. Williams, N. Rubenstein 

11:00 9. TP53 mutational signature of aristolochic 

acid. A. P. Grollman, 

B. Jelaković, M. Moriya 

11:20 10. Cytochrome P450 3A mediated 

thalidomide hydroxylation and formation 

of a glutathione conjugate. 

G. Chowdhury, N. Murayama, Y. Okada, 

Y. Uno, M. Shimizu, N. Shibata, 

F. P. Guengerich, H. Yamazaki 

11:40 11. Post-synthetic generation of FaPy 

lesions in oligonucleotides. M. A. Lukin, 

C. A. Minetti, D. P. Remeta, S. Attaluri, 

F. Johnson, K. J. Breslauer, d. Carlos 


Section A 


Room 252B 

Chemical Mechanisms in Toxicology: 

Elucidating and Preventing Disease 

Founders’ Award Symposium 

R. Loeppky, Organizer, Presiding 

CINF/TOXI 





TECH–29

TOXI TECHNICAL PROGRAM 

1:00 Founders’ Award Presentation 

1:10 12. Mechanisms in chemical toxicology: 

Letting the molecules point the way. 

R. N. Loeppky 

1:25 13. Recent studies on chemical mechanisms 

of carcinogenicity: N-Nitrosamines, 

aldehydes, and polycyclic aromatic 

hydrocarbons. S. S. Hecht, 

M. Wang, G. Cheng, Y. Zhong, S. Zhang, 

S. G. Carmella 

2:05 14. Alkylanilines: Complexities in 

chemistry, toxicity, mutagenicity, and 

carcinogenesis. S. R. Tannenbaum, 

P. L. Skipper, G. N. Wogan, C. Liang, 

L. Trudel, W. Ye 


3:05 15. Chemistry and biochemistry of biselectrophiles, 

thiols, and peptides related 

to DNA blockage and miscoding. 

F. P. Guengerich 

3:45 16. Reactive metabolites in the biotransformation 

of furan-containing molecules. 

L. A. Peterson 

4:25 17. Chemistry and biology of DNA 

damage by structurally interesting heterocyclic 

compounds. K. S. Gates 


Section A 


Room 252B 

Young Investigators 

I. Stepanov, Organizer, Presiding 

8:15 18. Synthesis and quantitation of carboxymethylated 

DNA Lesions induced by 

diazoacetate. J. Wang,Y.Wang 

8:30 19. Differential expression of proteins 

in response to arsenic stress in Chlamydomonas 

reinhardtii. 

C. Walliwalagedara, H. van Keulen, 

B. Willard, R. Wei 

8:45 20. Nucleosome effect on deamination 

rate of 5-methyl cytosine in cyclobutane 

pyrimidine dimer DNA photoproduct. 

Q. Song, J. S. Taylor 

9:00 21. Small-molecule screening for suppressors 

of beta-cell apoptosis induced 

by inflammatory cytokines. D. Chou, 

P. W. Faloon, H. A. Carrinski, 

N. E. Bodycombe, P. A. Clemons, 

S. L. Schreiber, B. K. Wagner 

9:15 22. Exocyclic deoxyadenosine adducts 

of 1,2,3,4-diepoxybutane: Synthesis and 

effects on DNA structure. 

U. I. Seneviratne, N. Y. Tretyakova 

9:30 23. Analysis of r-7,t-8,9,c-10-tetrahydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene 

in human urine: A biomarker for directly 

assessing carcinogenic polycyclic aromatic 

hydrocarbon metabolic activation. 

Y. Zhong, S. G. Carmella, 

J. B. Hochalter, S. S. Hecht 

9:45 24. Repair of the hydantoin lesions 

guanidinohydantoin (Gh) and spiroiminodihydantoin 

(Sp) by bacterial nucleotide 

excision repair. P. L. McKibbin, 

B. Van Houten, S. S. David 


10:20 25. Structural characterization of 

formaldehyde-induced DNA-protein 

cross-links. K. Lu, W. Ye, L. Zhou, 

L. B. Collins, X. Chen, A. Gold, L. M. Ball, 

J. A. Swenberg 

10:35 26. Reactive carbonyl species derived 

from omega-3 and omega-6 fatty acids. 

Y. Wang, J. S. Wishnok, 

S. R. Tannenbaum 

10:50 27. Beas2B cells as a model of polycyclic 

aromatic hydrocarbon metabolism 

in noncancerous human lung: Metabolic 

consequences of [ 3 H]-B[a]P and [ 3 H]- 

B[a]P-7,8-dihydrodiol treatment. 

M. E. Kushman, S. L. Gelhaus, 

T. M. Penning 

11:05 28. Effect of O 2 -arylated diazeniumdiolates 

on cellular glutathione status. 

R. J. Holland, J. E. Saavedra, 

L. K. Keefer, A. E. Maciag, H. Chakrapani 

30–TECH 


11:20 29. Stereoselective formation of N 2 - 

dG:N 2 -dG carbinolamine interstrand 

cross-link arising from trans-4-Hydroxynonenal 

derived exocyclic 

(6S,8R,11S)1,N 2 -dG adduct. H. Huang, 

I. D. Kozekov, A. Kozekova, S. Banerjee, 

C. J. Rizzo, M. P. Stone 

11:35 30. Sequence-dependent oxidation of 

8-oxoguanine in DNA. K. Lim,L.Cui, 

K. Taghizadeh, J. S. Wishnok, 

S. R. Tannenbaum, P. C. Dedon 


Section A 


Room 252B 

Protein Adducts and Stress Response 

Pathways 

D. Liebler, Organizer, Presiding 

1:15 31. Redox-dependent anti-inflammatory 

lipid mediator generation and actions. 

B. Freeman 

2:00 32. Identifying and quantifying cysteome 

modifications in response to NO 

donor and quinone donor drugs. 

G. R. Thatcher, R. E. Chandrasena, 

V. Sinha, G. T. Wijewickrama, T. Dunlap, 

S. C. Piyankarage, H. Xu, J. Bolton, 

I. T. Schiefer, P. D. Edirisinghe, Y. Wang 


3:05 33. Systems analysis of electrophileinduced 

gene expression: Role of HSF1affected 

genes in cellular viability. 

A. T. Jacobs 

3:50 34. Apoptosis signal-regulating kinase 

1 (ASK1), a sensor-trigger for proapoptotic 

signaling in electrophile stress. 

D. C. Liebler 


Section A 


Room 252B 

Perspectives Lecture 

L. Peterson, Organizer, Presiding 



Section A 


Room 252B 

Mechanisms of Food-Drug Interactions 

K. Myung, J. Manthey, S. Sturla, 

Organizers, Presiding 

8:30 35. Role of lipoproteins on the biological 

activity and pharmacokinetics of hydrophobic 

drugs. K. M. Wasan 

9:05 36. Interactions of dietary supplement 

mixtures and pure compounds on phase I 

drug metabolism. D. J. Kroll 

9:40 37. Impact of food on the function of 

oral drug delivery systems. R. L. Carrier 


10:35 38. Transporter-mediated drug-herb 

and drug-food interactions. M. E. Morris 

11:10 39. Mechanisms of cytochrome P450mediated 

food-drug interactions: Mechanism-based 

inactivators and the grapefruit 

juice effect. P. Hollenberg 


Section A 


Room 252B 

Improving Drug Candidates by Design: A 

Focus on Physical Properties to Improve 

Disposition and Safety Cosponsored by 

MEDI 

N. Meanwell, F. Guengerich, Organizers, 

Presiding 


1:35 40. Physicochemical and pharmacological 

properties as predictors of drug 

safety and success. J. Empfield 

2:25 41. Aromatic ring count and compound 

developability. S. J. Macdonald, 

T. J. Ritchie, R. Young, A. Hill 


3:30 42. Molecular matched pairs derived 

QSAR for the optimization of ADMET 

properties. S. Johnson, M. Davis, 

S. Posy, B. Claus 

4:20 43. Moving beyond rules: The development 

of a central nervous system multiparameter 

optimization (CNS MPO) approach 

to enable alignment of drug-like 

properties. T. T. Wager,X.Hou, 

P. R. Verhoest, A. Villalobos 


Section A 


Room 210A/B 


K. Mitra, Organizer 

6:30–8:30 

44. Affinity purification of kidney enzymes 

that bind mercapturic acids. E. Veldman, 

P. Josephy 

45. Translesion synthesis past the �-radiation-induced 

guanine- thymine intrastrand 

crosslink G[8,5-Me]T. 

P. Raychaudhury,A.K.Basu 

46. Structural studies of a repair-resistant 

dibenzo[a,l]pyrene-derived DNA adduct 

in a nucleosome. Y. Cai, N. E. Geacintov, 

S. Broyde 

47. Base flipping free energy profiles for 

damaged DNA. H. Zheng,Y.Cai, 

Y. Zhou, S. Wang, N. E. Geacintov, 

S. Broyde, Y. Zhang 

48. Experimental approach to enhance parent 

ion fragmentation for metabolite identification 

studies: Application of stepped 

CID and HCD in an Orbitrap-XL. 

J. L. Bushee, U. A. Argikar 

49. Effects of pharmaceutical excipients on 

4-methyl umbelliferone glucuronidation: 

An application for compounds with low 

solubility. U. A. Argikar, G. Liang, 

J. L. Bushee, V. Hosagrahara, W. Lee, 

L. Shah, S. Garad 

50. Translesion synthesis past the 2,6-diamino-4-hydroxy-N 

5 -(methyl)-formamidopyrimidine 

(MeFAPy-dG) adduct in oligonucleotides 

by DNA polymerases and 

selective incision of the �-anomer of Me- 

FAPy-dG by Escherichia coli Endo IV. 

P. P. Christov, C. J. Rizzo 

51. Quinone-enhanced reduction of nitric oxide 

by xanthine/xanthine oxidase. 

A. E. Alegria, P. Sanchez-Cruz 

52. Quantification of four oxidized guanine 

lesions from reaction of DNA with 3-morpholinosydnonimine. 

L. Cui, 

E. G. Prestwich, L. J. Trudel, 

J. S. Wishnok, P. C. Dedon, 


53. Quantitative mapping of cysteome for 

the protein S-nitrosylation. 

R. P. Chandrasena, G. T. Wijewickrama, 

V. Sinha, H. Xu, G. R. Thatcher 

54. Proteomic analysis of protein covalent 

modification by quinone methide-releasing 

drugs. S. C. Piyankarage, T. Dunlap, 

R. P. Chandrasena, G. R. Thatcher 

55. Genotoxicity screening validation using 

electro-optical and magnetic bioreactor 

arrays. L. Zhao,S.Pan, 

J. B. Schenkman, J. F. Rusling 

56. Characterization of a deoxyguanosine-lysine 

crosslink induced by methylgyoxal. 

K. V. Petrova, A. D. Millsap, C. J. Rizzo 

57. Metabolic profiling of mitochondrial dysfunction. 

Q. Xu, H. Vu, W. H. Schaefer, 

L. Liu, J. Monroe, C. Chiu 

58. Evaluation of 9,12-dioxo-10(E)-dodecenoic 

acid and 4-oxo-2(E)-nonenal derived 

lysine adducts as potential biomarkers of 

inflammation. F. Li, E. Iffrig, C. Knutson, 

J. S. Wishnok, S. R. Tannenbaum 

59. Utility of hepatocyte bioreactor proteomics 

for identification of drug-induced liver 

toxicity. V. Brahmbhatt,A.Dash, 

S. W. Inman, L. Griffith, 


60. Assembly and characterization of a system 

for delivering biologically relevant 

levels of nitric oxide and oxygen for studies 

of inflammation. V. Dendroulakis, 

B. S. Russell, C. E. Elmquist, L. J. Trudel, 

G. N. Wogan, P. C. Dedon, W. M. Deen 

61. Quantitative profiling of serum bile acids 

by LC/MRM during liver tumor promotion 

associated with chronic Helicobacter infection 

and nuclear receptor deficiency. 

Y. Zeng, A. Garcia, J. S. Wishnok, 

J. G. Fox, S. R. Tannenbaum 

62. Cytotoxicity study of nanomaterials 

based on bioimpedance analysis and 

confirmed by cellular uptake. 

K. Kandasamy, M. Marimuthu, S. Kim 

63. DNA-protein cross-links mediated by hydrogen 

peroxide. E. K. Hawkins, 

C. J. Rizzo 

64. Metabolism of benzo[a]pyrene-7,8-dione 

in human lung cells. M. Huang, X. Liu, 

I. A. Blair, T. M. Penning 

65. Effects of cytosine methylation on O 6 -alkylguanine 

DNA alkyltransferase repair of 

O 6 -(pyridyloxobutyl)guanine adducts in 

CG dinucleotides. D. Kotandeniya, 

A. E. Pegg, N. Y. Tretyakova 

66. Detoxification of structurally diverse PAH 

o-quinones by human recombinant 

COMT via o-methylation of PAH catechins. 

L. Zhang, S. Bhat, I. A. Blair, 

T. M. Penning 

67. Changes in the spectrum of tRNA secondary 

modifications as biomarker signatures 

of exposure to toxic stimuli. 

C. Chan, M. Dyavaiah, K. Taghizadeh, 

T. J. Begley, P. C. Dedon 

68. Inhibition of 4-aminobiphenyl-induced 

DNA damage by Sulforaphane and 5,6- 

Dihydrocyclopenta[c]-dithiole-3(4H)thione 

in bladder cells and tissues. 

K. L. Randall, Y. Ding, J. D. Paonessa, 

D. Argoti, R. Munday, Y. Zhang, 

P. Vouros 

69. Oxidative stress-induced protein modification: 

Application of clickable linoleic 

acid analogs. P. Slade, R. Aggeler, 

T. Nyberg, C. Pikens, U. Singh, B. Agnew 

70. Paradoxical down-regulation of benzo- 

[a]pyrene-mediated DNA-adduct formation 

and concurrent up-regulation of glutathione-adduct 

formation by 2,3,7,8tetrachlorodibenzo-p-dioxin 

in human 

lung cells. S. L. Gelhaus, T. M. Penning, 

I. A. Blair 

71. Stable isotope dilution HPLC-ESI - - 

MS/MS analysis of urinary butadiene metabolites 

as biomarkers of exposure to 

1,3-butadiene. S. Kotapati, B. A. Matter, 

D. Sangaraju, N. Y. Tretyakova 

72. Sensitive liquid chromatography/mass 

spectrometry method for the quantification 

of low levels of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol 

(NNAL) in 

urine of non-smokers. S. H. Bhat, 

S. L. Gelhaus, C. A. Mesaros, I. A. Blair 

73. Persistent ROS generation in H358 cells 

treated with PAH-o-quinones. S. S. Basu, 

S. L. Gelhaus, M. Huang, T. Penning, 

I. Blair 

74. Identification of tyrosine chlorination 

sites in human serum albumin for potential 

inflammatory disease biomarker discovery. 

P. Kang, Y. Zeng, J. S. Wishnok, 


75. Total synthesis of Aristolochic acidsI&II 

and their derivatives. S. Attaluri, 

R. R. Bonala, F. Johnson 






consent from ACS.

76. Quantification of the 2-deoxyribonolactone 

and nucleoside 5�-aldehyde products 

of 2-deoxyribose oxidation in DNA 

and cells by isotope-dilution gas chromatography 

mass spectrometry. W. Chan, 

P. Dedon 

77. Activity-based serum protease profiling 

for biomarkers of chronic inflammation. 

U. Sarkar, C. G. Knutson, J. S. Wishnok, 


78. Mass spectrometric detection of hemoglobin 

adducts from the anti-HIV drug nevirapine 

and its metabolite 12-hydroxynevirapine 

in rats. M. Marques, 

A. L. Godinho, M. Oliveira, S. A. Pereira, 

E. C. Monteiro, F. A. Beland, 

A. M. Antunes 

79. Mechanistic studies on the biotransformation 

of BMS-690514, an ErbB/VEGF 

tyrosine kinase inhibitor, to metabolite 

M1. H. Hong, J. Caceres-Cortes, H. Su, 

X. Huang, S. Bonacorsi, Y. Hong, Y. Tian, 

R. A. Iyer, W. G. Humphreys, 

L. J. Christopher 

80. Systematic study of 2�-deoxyoxanosine 

formation during nitrosative deamination 

of 2�-deoxyguanosine under biologically 

relevant conditions. P. Lonkar, 

J. L. McFaline, P. C. Dedon 

81. NMR structure of duplex DNA having a 

�-carba-fapy-dG residue. T. Zaliznyak, 

M. Lukin, S. Attaluri, R. R. Bonala, 

F. Johnson, C. De los Santos 

82. New mass spectrometry based method 

for quantifying protein thiol modification 

in response to nitrosative and oxidative 

stress. V. Sinha, G. T. Wijewickrama, 

R. P. Chandrasena, I. T. Schiefer, 

G. R. Thatcher 

83. Conformational effects of C8-arylguanine 

substitution on B/Z-DNA in oligonucleotides 

with one modified base. B. C. Train, 

V. Vongsutilers, D. J. Phillips, 

P. M. Gannett 

84. Trapping of a catechol estrogen quinone 

by GSH is reversible and does not block 

estrogenic activity: Problematic detoxification 

of 4-hydroxyequilenin by GSH 

conjugate formation. K. Peng, M. Chang, 

Y. Wang, Z. Wang, Z. Qin, J. L. Bolton, 


85. Fluorescent probe for direct detection of 

hypoxia. A. M. Rajapakse, U. Sarkar, 

K. S. Gates 

86. Estimating the interactions of signaling 

proteins in response to increasing dose. 

H. N. Williams, J. N. Rubenstein, X. Gao, 

A. C. Cook, J. W. Boyd 

87. Proteomic analysis of sera derived from 

patients with inflammatory bowel disease. 

C. G. Knutson, J. R. Korzenik, 


88. Competitive removal of oxidatively generated 

guanine lesions in DNA by NER 

and BER in human cell extracts. 

K. Y. Kropachev, M. Kolbanovsky, 

V. Y. Shafirovich, N. E. Geacintov 

89. Human NER recognition mechanisms involving 

the undamaged strand of the 

double helix. Y. Chen, K. Y. Kropachev, 

Z. Liu, M. Kolbanovsky, N. E. Geacintov 

90. Solution conformations of the major (�)trans-anti-BPDE-N 

2 -guanine adduct opposite 

an abasic site in a DNA duplex. 

Z. Liu, C. Lin, L. Jia, S. Ding, A. Schwaid, 

S. Broyde, N. E. Geacintov 

91. Using Saenger sequencing to analyze 

base-sequence effects on in vitro translesion 

bypass catalyzed by a Y-family polymerase: 

Dpo4. Y. Lee, A. Kolbanovsky, 

S. Broyde, N. E. Geacintov 

92. DNA adducts formed from different metabolic 

pathways of 3,5-dimethylaniline. 

W. Ye, P. L. Skipper, L. Cui, 


93. Lipoxygenase metabolites from cyclooxygenases. 

X. Liu, C. Mesaros, 

I. A. Blair 

94. Acetyl cysteine adducts of eicosatetraenoic 

acids: Synthesis, characterization, 

and identification in smoker’s urine. 

J. S. Arora, S. Zhang, I. A. Blair 

95. Quantification of urinary eicosanoids by 

liquid chromatography/mass spectrometry. 

C. A. Mesaros, I. A. Blair 

96. Nitrenium ion stability of aryl-amines. 

L. Whitehead, P. McCarren, 

G. Bebernitz, M. Grondine, L. Kirman, 

H. Schuster, J. Klickstein, S. Glowienke, 

P. Gedeck 

97. Quantitation of aristolochic acid adducts 

in murine DNA. K. A. Conlon, 

T. A. Rosenquist, C. R. Iden 

98. Sequence-context dependent recognition 

and repair of aristolochic acid-DNA 

adducts. J. Yeo, R. R. Bonala, S. Attaluri, 

I. Izaitseva, F. Johnson, C. R. Iden, 

O. D. Scharer 

99. Predicting mutagenicity of aromatic 

amines using hierarchical support vector 

regression approach. M. K. Leong, 

S. Lin, H. Chen 

100. Trapping reversible ortho-quinone methide 

- nucleoside adducts. 

M. P. McCrane, O. Ad, E. E. Weinert, 

Y. Ling, E. P. Mazzola, Y. Lam, 

S. E. Rokita 

101. Non-mutagenic bypass of a photodimer 

of T-methylC in DNA by yeast polymerase 

eta. Q. Song, J. Taylor 

102. Generation and investigation of the C3�deoxy-3�-thymidinyl 

radical in singlestranded 

oligonucleotides. B. Abdallah, 

A. Bryant-Friedrich 

103. Synthesis of a [3- 15 N]-5-methylcytosine 

cyclobutane pyrimidine dimer-containing 

DNA decamer for tautomerization and 

base pairing studies. R. E. Wang, 

J. L. Kao, J. Taylor 

104. Reactivity and stability of the 5�-aldehyde 

in DNA. S. A. Abdallah, 

A. C. Bryant-Friedrich 

105. Exploring the link between urban aerosols 

and DNA adducts using capillary 

nanoLC-ESI-MS/MS. J. J. Klaene, 

J. Glick, E. G. Stephanou, P. Vouros 

106. Biotransformation of epo-folate conjugate 

(BMS-753493). X. Gu, Y. Zhang, 

C. Darienzo, Y. Tian, Y. Hong, 

S. Bonacorsi, W. G. Humphreys, 

R. A. Iyer 

107. Structural studies of exocyclic deoxyadenosine 

adducts of 1,2,3,4-diepoxybutane. 

E. A. Kowal, U. Seneviratne, 

N. Tretyakova, M. P. Stone 

108. High-throughput screening of organophosphate 

antidotes in a zebrafish 

model. S. Jin, R. Peterson 

109. Phenotyping human livers for repair of 

O 6 -methylguanine and O 6 -[4-oxo-4-(3pyridyl)butyl]guanine 

adducts by O 6 -Alkylguanine-DNA 

alkyl-transferase. 

J. K. Warmka, Q. Fang, A. M. Urban, 

A. E. Pegg, L. A. Peterson 

110. Role of pyridyloxobutyl DNA adducts in 

nitrosamine-induced cancers. 

A. M. Urban, P. Upadhyaya, 

L. A. Peterson 

111. Investigation of cytotoxic and mutagenic 

effects of O 2 -methylthymine, a minor-groove 

DNA adduct. N. Andersen, 

J. Wang, Y. Wang 

112. Quantification of 8-5�-cyclo-2�-deoxyguanosine 

and 8-5�-cyclo-2�-deoxyadensosine 

in calf thymus DNA treated 

with Fenton Reagents. C. R. Guerrero, 

Y. Wang 

113. Role of carcinogen-induced conformational 

heterogeneity in translesion synthesis. 

B. P. Cho, V. Ganesan 

114. Spectroscopic and thermodynamic insights 

into sequence effects of 

2-acetylaminofluorene-induced conformational 

heterogeneity. B. P. Cho, 

S. Patnaik 

115. Long-range sequence effect on the 

arylamine-induced conformational heterogeneity. 

V. Jain, B. P. Cho, S. Patnaik, 

V. Ganesan, E. Darian, A. D. MacKerell 

116. Defining the role of RNA secondary 

modifications in the response of microbial 

pathogens to chemical mediators of inflammation. 

B. S. Russell, K. Lim, 

T. Chan, J. G. Fox, P. C. Dedon 

117. Alterations in the serum metabolome induced 

by chronic inflammation. 

E. G. Prestwich, I. Babu, K. Taghizadeh, 

P. C. Dedon 

118. Antioxidant activity of some wines produced 

in Moldova and their related ability 

to bind N-nitrosamine precursors. 

D. Porubin 

119. Differences in detailed chemistries 

among cigars and cigarettes and their 

potential relevance to the toxicological 

properties of mainstream cigar smoke. 

J. H. Lauterbach,D.A.Grimm 

120. Genetic toxicity of Fe3O4 nanoparticles. 

B. Wang, X. Meng, W. Yue, X. Bi 

121. Assessment of non-occupational exposure 

to polycyclic aromatic hydrocarbons 

through personal air sampling and urinary 

biomonitoring. Z. Li, J. A. Mulholland, 

L. C. Romanoff, E. N. Pittman, 

D. A. Trinidad, A. Sjodin 

122. Bridging health effects of chlorine exposures 

and therapy with chemistry: Toward 

a mechanism-oriented therapy for 

chlorine exposures. G. L. Squadrito, 

E. M. Postlethwait, S. Matalon 

123. Biological oxidant damage of engineered 

nanomaterials: Relationship with 

physicochemical properties. D. Bello, 

S. Hsieh, D. Schmidt, A. K. Pal, E. Rogers 

124. Biosimulation of acetaminophen-induced 

liver injury using the Entelos Physiolab 

platform. H. J. Clewell, B. Howell, 

S. Siler, R. Ho, A. Harrel, M. Andersen, 

P. Watkins 

125. Nuclear magnetic resonance- (NMR-) 

based study of post-mortem urines of 

opioid overdosed patients: Scope and 

limitations of the technique. G. Proni, 

N. Tan, D. K. Wilson, E. Champeil, 

B. S. Levine 

126. Role of lipid oxyl and peroxyl radicals in 

oxidative damage to guanine and 8-oxoguanine 

bases in DNA. J. Shao, 

N. E. Geacintov, V. Shafirovich 

127. Acute toxicity, biochemical responses 

and gene expression responses in Eisenia 

fetida exposed to polycyclic musks. 

C. Chen,Q.Zhou 

128. Investigation of the non-covalent binding 

mode of leinamycin with doublestranded 

DNA. M. I. Fekry, K. S. Gates 


Section A 


Room 252B 

Inflammation Biomarkers and Interventions 

Chemical Mechanisms and Biomarkers 

P. Dedon, Organizer 

S. Tannenbaum, Organizer, Presiding 


8:40 129. Chemical biology of NO in mechanisms 

of inflammation. D. Wink, 

C. Switzer, W. Flores-Santana, S. Glynn, 

L. Ridnour, R. Cheng 

9:10 130. Oxidation of DNA bases leading to 

mutagenic lesions. C. J. Burrows, 

A. M. Fleming, S. Kundu 

9:40 131. DNA damage and biomarkers of 

inflammation. A. R. Robinson, S. Gregg, 

J. S. Tilstra, P. Wipf, G. A. Garinis, 

P. D. Robbins, L. J. Niedernhofer 


10:30 132. Lipid oxidation and inflammation. 

I. Blair 

11:00 133. Chelation: The mechanism of action 

of AGE/ALE inhibitors. J. Baynes 

11:30 134. Chemical pathology of phagocyte 

activation. B. Shao, J. Heinecke 


Section A 


Room 252B 

Inflammation Biomarkers and Interventions 

Translation and Intervention 

P. Dedon, S. Tannenbaum, Organizers, 

Presiding 


1:40 135. Proteomic analysis of inflammatory 

bowel disease. S. R. Tannenbaum, 

Y. Zeng, C. Knutson, A. Raczynski, 

J. S. Wishnok, J. Korzenik 

2:10 136. Hepatitis and liver disease. 

J. Groopman 

2:40 137. Inflammation and asbestos-associated 

diseases. B. Mossman, 

J. Hillegass, A. Shukla, M. MacPherson, 

S. Beuschel, S. Lathrop, T. Perkins, 

C. Steele 


3:30 138. Bioactive chlorinated lipids derived 

from plasmalemmal plasmalogens. 

D. Ford 

4:00 139. Cyclooxygenase-based anti-inflammatory 

drugs. L. Marnett, 

M. J. Uddin, B. C. Crews, P. J. Kingsley, 

A. L. Blobaum, D. W. Piston 

4:30 140. Nitric oxide-based drug development. 

L. Keefer 

CHAL 

Division of Chemistry 

and the Law 

J. Hasford, Program Chair 


Luncheon, 12:00-1:00 PM: Mon 

Reception, 5:00-8:00 PM: Mon 


Executive Committee Meeting: Sun 


Section A 


Room 205C 

Strengthening Your Patent Rights in Light 

of Recent Federal Circuit Court Decisions 

J. Hasford, Organizer 


10:05 1. Practitioners’ perspectives on 2010 

decisions from the U.S. courts. 

A. Ahmed, X. Pillai 



Section A 


Room 205C 

What Every Researcher Needs to Know 

About Patents: From Protecting Your 

Inventions to Careers in IP Law 


J. Wager, A. Ahmed, Presiding 

TOXI/CHAL 


1:35 2. Best practices on protecting your invention. 

E. R. Gates 

2:20 3. Recent case law affecting chemical 

research. M. T. Siekman 

3:05 4. IP law career options for researchers. 

C. H. Baker 






TECH–31

CHAL/COLL TECHNICAL PROGRAM 


Section A 


Room 205C 

Recent Trends in Chemical and 

Pharmaceutical Patent Law 


S. P. Hasford, Presiding 


9:05 5. Hatch-Waxman: Interplay between 

drug development and lowering pharmaceutical 

costs. A. Ahmed 

9:35 6. Non-obviousness of chemical inventions. 

S. P. Hasford 

10:05 7. Defending against frivolous inequitable 

conduct allegations: Strategies for 

patent prosecution and litigation. 

J. J. Hasford 

10:35 8. “Written description” requirement 

after the Ariad case: What it is and what it 

means for pharmaceutical patent litigation. 

I. Poullaos 

11:05 9. Protecting against market erosion 

from generic entry: Authorized generics 

and reverse payments. J. T. Murata 



Section A 


Room 205C 

Identifying, Protecting and Enforcing 

Pharmaceutical Patent Rights in Solid 

Forms 


1:00 10. Introduction to solid forms: What 

they are and why you should care. 

C. Bleczinski 

1:30 11. Problem solving with disordered 

solids: Latest developments with amorphous 

forms. I. Ivanisevic 

2:15 12. Problem solving with cocrystals: 

Primer and case studies. N. Schultheiss 

3:00 13. Patenting solid forms and protecting 

solutions to your solid form problems. 

E. Barash 

3:45 14. Litigating solid form patents: An expert’s 

tale. L. Chyall 


Section A 


Hall C 

Sci-Mix 

H. Peters, S. Peters, J. Hasford, Organizers 

8:00–10:00 

15. Chocolate is the food of the gods — especially 

on Cunard’s Queen Mary 2. 

H. Peters, S. Peters 

16. National Inventors Hall of Fame. 

H. Peters, S. Peters 


Section A 


Room 205C 


Property Law: Patents, Trade Secrets, and 

Trademarks 

32–TECH 

J. Hasford, Organizer, Presiding 



9:35 17. Recent developments in U.S. 

Patent and Trademark Office patent practice. 

C. E. Van Horn 

10:05 18. Hot topics in chemical and pharmaceutical 

patent law. J. J. Hasford 

10:35 19. Recent developments in trade secret 

law. G. B. Price 

11:05 20. Trademark protection in the 

chemical, pharmaceutical and biotech industries. 

L. R. Robins 



Section A 


Room 205C 

The Lack of Legal and Forensic Suitability 

of Enzymatic Assaying for Blood Alcohol 

Concentrations in Prosecutions of Alleged 

Drunk Drivers 



12:35 21. Enzymatic assaying: The indirect 

measurement that is non-specific to ethanol 

that is being misapplied from the clinical 

world into the forensic arena. 

J. McShane, A. Staubus, J. Citron 


Section A 


Room 205C 

Forensic Analysis: From Bench to 

Courtroom 


R. Burks, Presiding 


3:05 22. The National Academy of Science 

report and forensic science education 

and research: Call to action. J. A. Siegel 

3:50 23. Communicating science in criminal 

court. C. Leonetti, R. Burks 

4:35 24. Crime laboratory vs. university research 

laboratory: Probing the differences 

in quality assurance programs. 

T. Reinholz 



Section A 


Room 205C 

Best Practices in Identifying, Protecting, 

and Managing Your Intellectual Property 

Portfolio 



9:05 25. Options for protecting your intellectual 

property. K. Bianco 

9:35 26. Identifying inventions — your own 

and others. M. Ali 

10:05 27. Protecting your intellectual property 

against third-party infringers and 

third-party patents. D. Main 

10:35 28. Managing your intellectual property. 

M. McGurk 

11:05 29. Maximizing the value of your intellectual 

property. I. Liu 


A Small Business Guide to Intellectual 

Property Sponsored by SCHB, Cosponsored 

by CHAL and PROF 


Section A 


Room 205C 

Developing and Losing Your Intellectual 

Property 



1:35 30. What is patentable? How arguments 

on patentable subject matter affect 

anticipation and obviousness. 

J. T. Goodman 

2:20 31. Collaborations between industry 

and universities: Avoiding common — 

and often fatal — legal pitfalls. 

R. R. Micheletti 

3:05 32. Marked! Rising risks of false marking: 

Reducing your exposure. 

S. A. Brown 

3:50 33. IP perspectives: Discussion on developing 

and maintaining IP rights from 

corporate and academic perspectives. 

J. T. Goodman, R. R. Micheletti, 

S. A. Brown 


Section A 


Room 205C 

The Many Faces of CHAL: Where Chemistry 

Meets the Law 



9:35 34. Elements of patents. S. Martens 

10:05 35. Negotiating a patent: The art of 

Examiner interviews. S. Talapatra 

10:35 36. Nonobviousness of chemical inventions. 

B. C. Trinque 

11:05 37. IP due diligence: Who, what, 

where, when, and why? N. J. Uhlir 



Section A 


Room 205C 

The Many Faces of CHAL: Where Chemistry 

Meets the Law 



1:35 38. Inventorship issues in U.S. patent 

law. J. C. Lowe 

2:05 39. Importance of Markush structure 

searching for chemical entities. 

E. N. Cheeseman 



COLL 

Division of Colloid and 

Surface Chemistry 

J. Texter, Program Chair 


Section A 


Harbor Ballroom II 

Surface Chemistry and Environmental 

Applications of Nanoporous Materials 

W. Song, Organizer 

S. Larsen, Organizer, Presiding 


8:35 1. Titanium dioxide nanotube photocatalysts 

for environmental remediation. 

K. J. Balkus, C. Ratanatawanate 

9:05 2. Nanostructured metal oxides’ fabrication 

and environmental applications. 

W. Li, C. Cao, S. Bian, L. Zhong, 

W. Song,L.Wan 

9:35 3. Dehydration, dehydroxylation, and 

rehydroxylation of single-walled aluminosilicate 

nanotubes. D. Kang, 

C. W. Jones, S. Nair 

9:50 4. Noble metal nanoflowers synthesized 

by novel approach based on pH dependent 

self assembly of surfactant and 

their extraordinary catalytic properties. 

A. Mohanty, N. Garg,R.Jin 

10:05 5. Degradation of azo dye in aqueous 

solution by novel catalysts of porous 

metal nanoparticles. Y. Sha,Q.Cui, 

J. Chen, Z. Gu 

10:20 Break 

10:40 6. Surface acidity of solid acid catalysts 

studied by solid-state NMR spectroscopy 

and theoretical DFT calculations. 

F. Deng 

11:10 7. Surface functionalization of zeolite 

nanostructures for renewable energy applications. 

G. Li, K. Dubois, E. Garcia, 

J. Agarwal, S. Bent 

11:40 8. Synthesis of nanocrystalline ZSM-5 

zeolite with controlled particle size and 

mesoporosity. A. Petushkov, 

S. C. Larsen 

Section B 


Alcott 

Nanomaterisla for Biological, 

Pharmaceutical and Biomedical 

Applications Applications of Gold 

Nanoparticles 

R. Nagarajan, Organizer, Presiding 

8:30 9. Tagging single gold nanoparticles to 

lipids in living cell membranes. 

J. Rodríguez-Fernández,H.Ba, 

F. D. Stefani, J. Feldmann 

8:50 10. Competitive adsorption of thiolated 

polyethylene glycol and mercaptopropionic 

acid on gold nanoparticles probed 

by physical characterization methods: 

Application in targeted drug delivery. 

D. Tsai,F.W.DelRio,R.I.MacCuspie, 

T. Cho, M. R. Zachariah, V. A. Hackley 

9:10 11. Exploring the mechanism of formation 

of PAMAM – gold nanoparticle complexes. 

L. W. Hoffman,R.Knott, 

S. R. Clarke, N. H. Voelcker 

9:30 12. Kinetic studies of ligand exchange 

reactions on gold nanorods. 

R. D. Wampler, M. D. Porter 

9:50 13. Synthesis, characterization and 

properties of porous hollow Au nanoparticles. 

Y. Hao, C. Huang, J. Nyagilo, 

D. Dave, L. Xu, X. Sun 

10:10 14. Antibiotic mediated synthesis of 

gold nanoparticles with potent antimicrobial 

activity and their application in antimicrobial 

coatings. C. C. Perry,A.Rai, 

A. Prabhune 

10:30 15. Ultra-low fouling and functionalizable 

zwitterionic coatings onto gold and 

SiO 2 via a biomimetic adhesive group for 

sensing and detection in complex media. 

N. D. Brault, Q. Yu, S. Jiang 

10:50 16. Controlling the biochemistry of 

DNA functionalized gold nanoparticles for 

medical applications. A. E. Prigodich, 

C. A. Mirkin 

11:10 17. Supramolecular recognition-mediated 

control of gold nanoparticle toxicity 

inside the living cell using synthetic hostguest 

system. C. Kim, S. Agasti, Z. Zhu, 

L. Isaacs, V. Rotello 

11:30 18. Adsorption of water soluble thiols 

onto Au surfaces: Kinetics and applications. 

L. L. Rouhana, M. D. Moussallem, 

J. B. Schlenoff 






consent from ACS.

Section C 


Burroughs 

Formulation 

Formulating Nanoparticle and Structured 

Fluid Systems 

R. Y. Lochhead, Organizer 

M. W. Urban, Presiding 


8:40 19. Nanofluids for new materials and 

resins. J. Texter 

9:10 20. Pressure-driven assembly of spherical 

nanoparticles and formation of 1D 

nanostructure arrays. H. Wu,F.Bai, 

Z. Sun, R. E. Haddad, D. Boye, Z. Wang, 

H. Fan 

9:30 21. Tuning the dispersion of ligand-free 

ZnO quantum dots in solvents and polymers 

with electrostatically tethered nanoplatelets. 

D. Sun, W. Everett, H. Sue 

9:50 22. Coupling an oscillatory reaction to 

colloidal motion with diffusiophoresis: 

Swarm and disperse. M. E. Ibele, 

P. E. Lammert, T. E. Mallouk, 

V. H. Crespi, A. Sen 

10:10 23. Surfactant-free colloidal crystal 

based on ZnO quantum dots. X. Zhang, 

D. Sun, H. Sue 

10:30 24. Sonochemical formation of methyl 

hydroperoxide in polar aprotic solvents 

and its effect on single-walled carbon 

nanotube dispersion stability. 

M. W. Forney, J. C. Poler 

10:50 25. From spherical to asymmetric 

multi-phase colloidal nanoparticles and 

nanorods. D. Ramachandran, 

C. C. Corten, M. W. Urban 

11:10 26. Real time monitoring of the shape 

evolution and cancer therapeutic application 

of branched gold nanostructure. 

D. Senapati,A.K.Singh,P.C.Ray 

11:30 27. Influence of sensory perception 

on consumer perceptions of liking and 

performance. G. Civille 

11:50 28. Determination of the wetted surface 

area of suspensions of active pharmaceutical 

ingredients (API) using nuclear 

magnetic resonance. D. Fairhurst, 

T. Cosgrove 

Section D 


Carlton 

Symposium in Honor of Kash Mittal 

Interfaces and Adhsion 

H. Dodluk-Kenlg, R. Nagarajan, Organizers 

V. S. Gutowski, Organizer, Presiding 

8:30 Laudation 

8:40 Four Decades of Romance with Adhesion 

Science - K. L. Mittal 

9:10 29. Study of metal-polymer interfaces: 

Relevance to adhesion. J. F. Friedrich 

9:50 30. Measurement of lateral adhesion 

forces at the interface between a liquid 

drop and a substrate. R. Tadmor 

10:10 31. Girifalco: Good analysis of fluoroalkylated 

silicon-containing surfaces. 

S. S. Chhatre, J. O. Guardado, 

B. M. Moore, J. M. Mabry, 

G. H. McKinley, R. E. Cohen 

10:30 32. Characterizing surfactant distributions 

in pressure sensitive adhesive films 

using atomic force microscopy and confocal 

Raman microscopy. J. Zhang, 

H. Xu, J. Zhang, S. Severtson 

10:50 33. Ambient condition characterization 

of rock/fluids interactions for a GOM 

(Gulf of Mexico) deepwater offshore oil 

field. D. Saini, D. N. Rao 

11:10 34. Use of SPM in the study of particle 

adhesion in pharmaceutical systems: 

Adhesion mapping. F. M. Etzler 

11:30 35. Self-cleaning photovoltaic panels 

with integrated transparent electrodynamic 

screens: Dust adhesion and removal 

mechanism. M. K. Mazumder, 

M. N. Horenstein, D. Jackson, J. Stark, 

S. Blumenthal 

Section E 


Lewis 

Nano Letters: The Next Ten Years 

Nanomaterials and Biology 

P. Alivisatos, C. Lieber, Organizers, 

Presiding 

P. A. Lewis, Presiding 


9:20 36. Future perspectives in nanotechnology. 

I. Willner 

10:00 37. Bioactive nanostructures for regeneration. 

S. I. Stupp 

10:40 38. Semiconductor nanomaterials for 

bio-integrated electronics. J. A. Rogers 

11:20 39. Towards a desktop fab: Polymer 

pen lithography and beam pen lithography. 

C. Mirkin 


X-ray Methods Sponsored by CATL 

(probationary), Cosponsored by COLL, FUEL, 

and PETR 

Surface and Interfacial Phenomena in 

Environmental Processes 

Surface Characterization Techniques and 

Surface-Involved Reactions Sponsored by 

ENVR, Cosponsored by COLL and GEOC 


Section B 


Alcott 

Nanomaterials for Biological, 


Applications 

Detection of Biomolecules and Cells 


P. Ray, Presiding 

1:30 40. Real time detection of biomolecules 

using nanoparticle-based clusters. 

A. L. Stadler,C.Chi,O.Gang, 

D. van der Lelie 

1:50 41. Chemical approaches to glucose 

detection using the near-infrared fluorescence 

from single-walled carbon nanotubes. 

H. Yoon, P. W. Barone, J. Ahn, 

M. S. Strano 

2:10 42. Nanointerface modulation of singlewalled 

carbon nanotube for detection of 

ATP and nitric oxide in living cells. J. Kim, 

J. Ahn, P. W. Barone, J. Zhang, 

M. S. Strano 

2:30 43. Design of single plasmonic nanoparticle 

probes for study of multidrug 

membrane transporters of single living 

cells. X. Xu, P. Nallathamby, K. Lee, 

T. Huang 

2:50 44. Application of bioorthogonal tetrazine 

chemistry to nanoparticle based 

cell detection. N. K. Devaraj,J.B.Haun, 

R. Weissleder 

3:10 45. Surfactant self-assembling sol gel 

synthesis of zirconium dioxide as an effective 

electrode material for the detection 

of neurotransmitters. Y. Chen, 

Y. Song, S. K. Lunsford, D. D. Dionysiou 

3:30 46. Colorimetric bacteria sensing using 

a hybrid enzymatic nanocomposite biosensor. 

O. R. Miranda, X. Li, Z. Zhu, 

B. Yan, U. H. Bunz, V. M. Rotello 

3:50 47. Rapid identification and targeted 

photothermal lysis of salmonella bacteria 

using bioconjugated gold nanoparticle. 

P. C. Ray 

4:10 48. Array based sensing of proteins in 

human serum using nanoparticle-green 

fluorescent protein conjugates. S. Rana, 

M. De, O. R. Miranda, U. H. Bunz, 

V. M. Rotello 

4:30 49. Spatial addressing of neurotransmitters 

for G-protein coupled receptors. 

W. Liao, H. Cao, P. S. Weiss, 

A. M. Andrews 

4:50 50. Nanopatterned polymer film arrays 

with high surface area for peptide sensing. 

R. B. Pernites, R. Ponnapati, 


Section C 


Burroughs 

Formulation 

Surfaces, Surfactants and Emulsions 

R. Y. Lochhead, Organizer 

A. J. Olenick, Presiding 

1:30 51. Photooxidation of nanopatterned 

poly(chloromethylstyrene): Direct formation 

of crosslinked aldehyde-functionalized 

films for chemical functionalization 

and bioconjugation. X. Yu, C. Subramani, 

X. Yang, C. Kim, V. M. Rotello 

1:50 52. Self-assembly monolayers of cysteamine 

on nanostructured Ag films for 

SERS sensing of perchlorate and its 

SERS enhancement mechanism. J. Hao, 

M. Han, Z. Xu, X. Meng 

2:10 53. Prospects for computational formulations 

design. J. Fraaije, S. McGrother, 

S. Nath 

2:30 54. Formulation and evaluation of multicomponent, 

multiphase systems by 

combinatorial liquid handling techniques. 

R. Y. Lochhead 

2:50 55. Formulating cleansers for sensitive 

skin: Creating a skin compatible cleanser 

with hydrophobically modified polymers. 

L. Gandolfi, R. Walters, N. Tierney, 

M. Fevola 

3:10 56. Relation of hair ellipticity to ethnicity 

and hair combing. A. N. Syed, 

T. Ventura, R. A. Khan, M. N. Syed 

3:30 57. Self-assembly of functional homopolymers. 

J. Kim,S.T.Nguyen 

3:50 58. Multidomain alkyl silicones in formulations. 

T. O’Lenick, T. O’Lenick 

4:10 59. Physical blends of silica sol and 

polymer latex: Effects on coating process 

and performance. G. Darr, E. W. Davis 

4:30 60. Impact of phase changes on emulsion 

phase inversion during emulsification 

and evaporation. Y. Liu, S. E. Friberg 

4:50 61. Efficient emulsification using 

poly(2-(dimethylamino)ethyl methacrylate)-grafted 

nanoparticles, poly(ethylene 

oxide) star polymers or their mixtures. 

T. Saigal, D. Kloss, P. L. Golas, H. Dong, 

K. Matyjaszewski, R. D. Tilton 

5:10 62. Suppressing non-specific interactions 

between solid surfaces used for single-molecule 

force measurements. 

S. Upadhyayula,S.Bishop,N.Johnson, 

S. Gupta, V. Vullev 


Section D 


Carlton 

Symposium in Honor of Kash Mittal Surface 

Modification 

H. Dodluk-Kenlg, V. S. Gutowski, R. 

Nagarajan, Organizers 

J. Friedrich, Presiding 

1:30 63. Controlled plasmachemical functionalization 

of polymer surfaces for adhesion 

and liquid repellency. J. S. Badyal 

2:10 64. Surface modification of ABS for 

electroless Cu plating without Cr-etching 

and Pd catalyst. N. Inagaki 

2:40 65. Achieving nanoscale surface structure 

on polyester film by atmospheric 

pressure plasma treatment. W. I. Tsoi, 

C. Kan,C.M.Yuen,T.Tang 

3:00 66. Surface modification of fibrous 

polymers using pulsed UV-laser radiation. 

T. Bahners, E. Schollmeyer 

3:20 67. Aerosol-based DBD–asimpleway 

to provide polymers with functional 

groups for adhesion promotion. R. Mix, 

H. Yin, J. Friedrich 

3:40 68. Surface modification of wheat gluten 

films for improved water resistance. 

K. S. Johansson, H. Chen, 

J. Lindqvist Hofmann, A. Swerin, 

M. S. Hedenqvist, M. Dubreuil, 

D. Vangeneugden, M. Gaellstedt 

4:00 69. Effect of atmospheric pressure 

plasma treatment on interfacial adhesion 

between carbon fibers and polyimide. 

Y. Qiu 

4:20 70. Kinetics and properties of new silane 

based anti-corrosion coatings. 

J. G. Matisons, R. Goreham 

4:40 71. Predicting performance of natural 

fibre composites using scanning probe 

microscopy. A. A. Kafi, K. Magneiz, 

B. L. Fox 

Section A 


Grand Ballroom B 



S. Larsen, W. Song, Organizers 

G. Li, Presiding 

2:00 72. Molecular modeling and design of 

metal-organic frameworks for CO 2 capture. 

A. O. Yazaydin, Y. Bae, D. Yu, 

R. Q. Snurr 

2:30 73. Atomistic simulations of CO 2 and 

N 2 within zeolites. D. Kohen,L.Madison, 

H. Heitzer, C. Russell, K. Deeg, 

D. Walters 

3:00 74. Combining modeling and experiments 

to develop metal-organic framework 

materials for efficient adsorptionand 

membrane-based chemical separations. 

D. Sholl, T. van Heest, 

E. Haldoupis, T. Watanabe, S. Nair, 

M. Allendorf, S. Meek, J. Perry, 

J. Greathouse 


3:50 75. Diffusive flux of nanoparticles 

through porous membranes. 

J. R. Stephens, M. E. Williams 

4:05 76. Strain and surface dependant bacterial 

attachment of Pseudomonas 

aeruginosa to contact lens materials. 

V. B. Tran,C.J.Radke 

4:20 77. Self-cleaning conducting polymer 

surfaces: Reversible superhydrophobicto-superhydrophillic 

surfaces with electrochromic 

properties. R. Advincula 

4:35 78. Nanoporous inverse opal films on 

curved surfaces by colloidal Co-assembly. 

B. Hatton, L. Mishchenko, 

J. Aizenberg 

4:50 79. Enhanced hydrodechlorination of 

trichloroethylene in aqueous solution by 

supported polysugar-stabilized Pd nanoparticles. 

D. Bacik, M. Zhang, D. Zhao, 

C. Roberts 

Section E 


Lewis 


Energy and Electronics 


Presiding 


2:00 80. Role of nanoscience in future generation 

solar photon conversion cells for 

electricity and fuels. A. J. Nozik 

2:40 81. Nanoscience for energy and novel 

materials. Y. Cui 


3:40 82. Graphene and carbon nanotubes: 

Advances and prospects in electronics 

and photonics. P. Avouris 





COLL 

TECH–33

COLL TECHNICAL PROGRAM 

4:20 83. Nanoscale electronic materials: 

Challenges and opportunities. A. Javey 

5:00 84. Perspectives on carbon nanostructures 

research. M. S. Dresselhaus 



Metals and Metal Oxides Sponsored by 



Section C 


Burroughs 

Novel Model Systems for Bilayer Lipid 

Membranes 

Supported Membranes 

J. Robertson, K. Hristova, Organizers 

I. Koeper, Organizer, Presiding 


8:35 85. Detecting ligand-receptor interactions 

on supported membranes by pH 

modulation. P. S. Cremer 

9:05 86. Xerogel, steps, and ethanol control 

phase behavior of supported lipid bilayers. 

M. L. Longo 

9:25 87. Quartz crystal microbalance with 

dissipation monitoring (QCM-D) studies 

of nonionic polymeric surfactant adsorption 

onto phospholipid bilayers. 

A. R. Esker, Q. Xie, P. Huffstetler, L. Huh, 

J. S. Riffle, R. D. Gandour 

9:45 88. Calcinated thin silicate films on Au 

for SPR biosensing with supported lipid 

membranes. Q. J. Cheng 

10:15 89. Novel electrodes for redox-active 

membrane enzymes. L. J. Jeuken, 

S. A. Weiss, N. N. Daskalakis, 

P. J. Henderson, S. D. Evans, 

R. J. Bushby 

10:45 90. Electrically addressable, biologically 

relevant surface supported bilayers. 

J. Lin, J. Szymanski, P. Searson, 

K. Hristova 

11:05 91. Lysophospholipid hydrolysis by 

neuropathy target esterase and its influence 

on the fluidity of reconstituted bilayer 

lipid membranes. A. J. Greiner, 

R. J. Richardson, R. M. Worden, 

R. Y. Ofoli 

11:35 92. Electric field induced build-up and 

separation of charged species in patterned 

supported bilayer lipid membranes. 

M. R. Cheetham, J. P. Bramble, 

B. R. Johnson, X. Han, L. J. Jeuken, 

P. D. Olmsted, S. D. Evans 

Section E 


Lewis 


Functional Nanomaterials 


Presiding 


8:30 93. Selective nanocatalysis of organic 

transformation by metals. G. A. Somorjai 

9:10 94. Single-molecule nanocatalysis. 

P. Chen 

9:50 95. Hybrid nanoparticle architectures: 

What’s next? U. Banin 

10:30 96. Towards assembly engineering: 

Designing patchy particles for self-assembly 

propensity. S. C. Glotzer 

11:10 97. Excited state dynamics in semiconducting 

and metallic quantum dots: A 

time-domain ab initio perspective. 

O. Prezhdo 

34–TECH 


Section A 





S. Larsen, Organizer 

W. Song, Organizer, Presiding 

9:00 98. Biocompatible mesoporous silica 

nanoparticles for cell type selective membrane 

transport and intracellular delivery. 

V. S. Lin 

9:30 99. Studies on the adsorption, encapsulation, 

and release of enzymes using 

nanoporous particles. C. Landry, 

S. Livingston, A. Clemments, B. Miller 

10:00 100. Interactions of an anticancer 

drug with zeolites and mesoporous silica. 

A. Datt, N. A. Dhuna, S. C. Larsen 

10:15 101. Development of bifunctional 

nanozeolites for targeted imaging applications. 

N. Ndiege, R. Raidoo, 

S. C. Larsen, M. Scultz 


10:50 102. Engineering nanospaces: Designing 

organic-inorganic hybrid materials. 

D. F. Shantz 

11:20 103. Synthesis of ordered mesoporous 

silicas with ultra-large mesopores. 

L. Huang, L. Cao, M. Kruk 

11:35 104. Porous organosilicas for concentration 

and detection of nitroenergetic 

and organophosphate compounds. 

B. J. Melde, B. J. Johnson, P. T. Charles, 

I. A. Leska, M. A. Dinderman, 

J. R. Deschamps 

11:50 105. Multimodal nanoimprinted polyethyleneimine 

template for nanoparticle 

assembly and immobilization. 

c. Subramani, Y. Ofir, D. Patra, 

B. J. Jordan, I. W. Moran, M. -. Park, 

K. R. Carter, V. M. Rotello 

Section B 


Alcott 



Applications 

Nanoparticle-cell Interactions 


K. Hamad-Schifferli, Presiding 

9:00 106. Engineering the nanoparticle-biology 

interface. K. Hamad-Schifferli 

9:20 107. Dual ligand-presenting surfaces 

that can dynamically modulate cell behavior 

in situ. A. Pulsipher, S. Park, 

M. N. Yousaf 

9:40 108. Comparison of bactericidal activity 

against Escherichia coli of silver nanoparticles 

with chemical disinfectants. 

K. R. Chamakura, R. P. Ballestero, 

S. Bashir, J. Liu 

10:00 109. Using quartz crystal microbalance 

with dissipation monitoring 

(QCM-D) to predict antimicrobial peptide 

action on membranes. K. F. Wang, 

R. Nagarajan, C. Mello, T. A. Camesano 

10:20 110. Bacteria pattern spontaneously 

on periodic nanoscale structures. 

A. I. Hochbaum, A. Epstein, J. Aizenberg 

10:40 111. Lipid bilayer-coated mesoporous 

silica nanoparticles (MSNs): Highly modular 

synthesis for affecting cellular uptake, 

drug release, and intracellular fate of 

MSNs. R. A. Roggers,V.Lin 

11:00 112. In vivo targeting of fluorescent 

silica nanoparticles to ischemia. J. Kim, 

L. Cao, D. J. Mooney 

11:20 113. Investigation of threonine based 

nanotubes for the development of new 

antioxidant materials. S. N. Barnaby, 

K. R. Fath, I. A. Banerjee 

11:40 114. Antiseptic single wall carbon 

nanotube bandages. T. J. Simmons, 

S. Lee, T. Park, D. P. Hashim, 

P. M. Ajayan, R. J. Linhardt 

12:00 115. Functionality of multivalent cell 

adhesion ligands on viruses. L. Lee, 

Q. Wang 

Section D 


Carlton 


Contact Angle, Wettability and Adhesion 

V. S. Gutowski, R. Nagarajan, Organizers 

H. Dodluk-Kenlg, Organizer, Presiding 

9:00 116. To wet or not to wet? Stability, 

metastability and instability of contact angles. 

A. Marmur 

9:40 117. Solvation pressure between molecularly 

rough surfaces. A. V. Neimark 

10:00 118. Effects of equilibrium vapor adsorption 

on capillary force. S. H. Kim, 

M. P. de Boer 

10:20 119. Wetting behaviors on viscoelastic 

coating surface. G. Pu, S. Severtson 

10:40 120. Interpretation of contact angle 

data to estimate drop adhesion onto solid 

surfaces. A. Amirfazli 

11:00 121. Mechano-chemical properties of 

precursor films in electrowetting by molecular 

dynamics simulation. Y. Zhao 

11:20 122. Adhesion characterization of 

large area narrow band filters deposited 

by ion beam sputtering and e-gun evaporation. 

S. Scaglione, I. Di Sarcina, 

M. Grilli, F. Menchini 


the Interface 








Sorption Processes: From Treatment to 

Fate and Transport Sponsored by ENVR, 

Cosponsored by COLL and GEOC 


Section A 



Surface Chemistry of Chiral Interfaces 

A. Gellman, Organizer 

D. Sholl, Organizer, Presiding 

2:00 123. Controlling the adsorption of prochiral 

reagents at chirally modified metal 

surfaces. A. G. Trant, K. E. Wilson, 

T. E. Jones, C. J. Baddeley 

2:30 124. Understanding enantioselectivity 

on chirally modified surfaces in ultrahigh 

vacuum. W. Tysoe 

2:55 125. Chiral surface chemistry in the environment. 

F. M. Geiger 

3:20 126. Chiral self-assembly on achiral 

surfaces: Insights from theory. T. Popa, 

I. Paci 

3:45 127. Atomic-scale studies of chiral 

metal surfaces. T. J. Lawton, 

A. E. Baber, V. Pushkarev, A. J. Gellman, 

E. H. Sykes 

4:10 128. Molecular modeling of enantioselective 

adsorption in homochiral metal-organic 

frameworks. X. Bao, 

L. J. Broadbelt, R. Q. Snurr 

4:35 129. Mechanistic study of asymmetric 

hydrogenation on chirally modified platinum. 

V. Demers-Carpentier, 

G. Goubert, G. Mahieu, J. Brunelle, 

Y. Dong, S. Lavoie, P. H. McBreen 

Section B 


Alcott 



Applications 

Applications of Magnetic Nanomaterials 


2:00 130. Nanomedicine: Magnetic nanomaterials 

and nanotube for controlled 

drug release. V. Varadan 

2:20 131. Recent developments in the synthesis 

of magnetic nanoparticles for biomedical 

applications. N. T. Thanh 

2:40 132. Magnetic virus-like particles: 

Novel materials for biomedical applications. 

L. Bronstein, X. Huang, 

A. Malyutin, J. Dyke, E. Gunn, B. Stein, 

B. Dragnea 

3:00 133. Block copolymer-coated magnetic 

nanoparticles as hybrid systems for 

imaging and therapeutic applications. 

S. Louguet, C. Schatz, R. Epherre, 

S. Mornet, E. Duguet, S. Lecommandoux 

3:20 134. Responsive magnetic nanoparticles 

modified with mixed polymer brush. 

B. Zdyrko, M. Motornov, D. Pippalla, 

M. K. Kinnan, G. Chumanov, S. Minko, 

I. Luzinov 

3:40 135. Magnetic glyco-nanoparticles: A 

new tool for cancer cell studies. 

X. Huang, K. El-boubbou, M. El-dakdouki 

4:00 136. Synthesis of magnetic micro-particles 

using stop flow lithography. S. Suh, 

K. P. Yuet, D. Hwang, P. S. Doyle, 

T. A. Hatton 

4:20 137. Kinetic processes in the synthesis 

of size tunable magnetite nanoparticles 

for biomedical applications. B. Qi, 

O. T. Mefford 

4:40 138. Use of magnetite nanoparticles for 

various therapeutic applications. 

S. L. Saville, M. House, B. Qi, 

O. T. Mefford 

5:00 139. Stealth and functionalizable zwitterionic 

magnetic nanoparticles prepared 

by a one-step method for image-guided 

targeting drug delivery. L. Zhang,H.Xue, 

S. Jiang 

Section C 


Burroughs 


Membranes 

Structure and Function 

I. Koeper, J. Robertson, Organizers 

K. Hristova, Organizer, Presiding 


2:05 140. Neutron reflectometry and offspecular 

scattering investigations of lipid 

membranes on thermo-responsive polymer 

cushion. J. Majewski 

2:35 141. pH-response of tethered membranes 

obtained by stepwise functionalization: 

Insights from X-ray and neutron 

reflectometry. B. Nickel, S. Hertrich, 

J. Rädler 

3:05 142. Poly(lipid) supramolecular assemblies: 

Structure, function, and bioanalytical 

applications. S. Saavedra 

3:35 143. Lipid bilayers immobilized on 

polyelectrolyte multilayer cushions. 

R. Krastev, J. Chen, T. Gutberlet 






consent from ACS.

4:05 144. Tethered bilayer lipid membranes 

used to probe membrane-protein interactions 

in food science. I. Koeper 

4:25 145. Influence of an electric field on oriented 

films of DMPC/gramicidin bilayers: 

A circular dichroism and PM IRRAS 

study. J. Lipkowski, J. Fiche, T. Laredo, 

O. Tanchak, J. R. Dutcher 

4:55 146. Spontaneous membrane asymmetry 

in supported membranes formed 

by vesicle fusion. H. P. Wacklin 

Section D 


Carlton 


Contact Angle, Wettability and Adhesion 

H. Dodluk-Kenlg, V. S. Gutowski, 

R. Nagarajan, Organizers 

A. Marmur, Presiding 

2:00 147. Effect of nanostructure and composition 

of solid surfaces on ice adhesion. 

H. Dodiuk,S.Kenig,F.Rios 

2:40 148. Toward self-healing super-repellent 

surfaces. W. Ming 

3:00 149. Control of water droplet adhesion 

on paper/cellulose surfaces for the design 

of lab on paper devices. B. Balu, 

V. Breedveld, D. W. Hess 

3:20 150. Build up superlyophobic surfaces 

from fluorine-containing conductive polymers. 

F. Guittard, T. Darmanin, 

E. Taffin de Givenchy, S. Amigoni 

3:40 151. From superhydrophobicity and 

water repellence to superhydrophilicity: 

Smart polymer-functionalized surfaces. 

S. H. Anastasiadis, E. Stratakis, 

M. Barberoglou, V. Zorba, A. Mateescu, 

D. S. Achilleos, M. Vamvakaki, C. Fotakis 

4:00 152. Relationships between water wettability 

and ice adhesion. A. J. Meuler, 

J. D. Smith, K. K. Varanasi, J. M. Mabry, 

G. H. McKinley, R. E. Cohen 

4:20 153. Diverse approaches for creation of 

surfaces with gradient wettability to 

achieve liquid droplet movement. 

A. Athanassiou, 

F. Villafiorita Monteleone, F. Spano, 

D. Fragouli, R. Cingolani 

4:40 154. One-step fabrication of superhydrophobic 

coatings. D. K. Sarkar, 

S. Noormohammed 

5:00 155. Adsorption of trisiloxane surfactants 

on a liquid-air interface. 

N. A. Ivanova, R. G. Rubio, V. M. Starov, 

V. B. V.B. Fainerman 

Section E 


Lewis 


Functional Nanomaterials 


Presiding 


2:00 156. Functional hybrid nanomaterials 

via directed self-assemblies. T. Xu 

2:40 157. Dislocation-driven nanomaterial 

growth: Nanowire trees, nanotubes, and 

beyond. S. Jin 


3:40 158. Colloidal inorganic nanocrystals: 

Shape and evolution. C. J. Murphy 

4:20 159. Drying-induced self assembly of 

nanorods. E. Rabani 


the Interface 





PRES 


Section A 


Galleria Room 

Fundamental Research in Colloid and 

Surface Science 

J. Texter, Organizer 

6:00–8:00 

160. Analytical characterization of gold 

nanoparticle primary particles, aggregates, 

agglomerates, and agglomerated 

aggregates. A. M. Keene, K. M. Tyner 

161. Morphological control over Titanium 

Oxide precipitates using a biomimetic approach. 

S. Filocamo, R. Stote 

162. Chemoselective patterning strategies to 

study biomolecular interactions on gold 

surfaces. A. Pulsipher, M. N. Yousaf, 

N. P. Pulsipher, D. Dutta 

163. Model lipid bilayers as a platform for 

enzymology and chemoselective ligand 

immobilization. D. Dutta, A. Pulsipher, 

M. N. Yousaf 

164. Synthesis of nanoislands for plasmonics-based 

subdiffraction-limited imaging: 

Applications to visualization of endocytotic 

internalization of adenovirus. K. Kim, 

J. Choi, K. Ma, C. Yoon, D. Kim 

165. Gently lifting gold’s herringbone reconstruction 

by tuning adsorbate chemistry. 

A. D. Jewell, H. L. Tierney, E. V. Iski, 

A. E. Baber, D. O. Bellisario, E. H. Sykes 

166. Electrochemistry and fluorescence of 

chromophore-functionalized quantum 

sized gold clusters. K. Kwak, 

M. Devadas, J. Park, J. Choi, C. Jun, 

R. Guda, D. Lee 

167. Anomalous Raman scattering of NaYF 4: 

Yb 3� ,Er 3� nanophosphors and dynamic 

proof of size dependent upconversion luminescence. 

J. Shan,Y.Ju 

168. Role of gold nanoparticles in the photocatalytic 

reactions of TiO 2/Au nanocomposites. 

M. Lee,D.Lee 

169. Coating from human albumin plastic on 

titanium orthopedic implants. 

F. Vatansever, B. Zdyrko, S. Sharma, 

X. Li, X. Wen, I. Luzinov 

170. Grafted enrichment polymer layer system 

for waveguide sensor. 

J. M. Giammarco, B. Zdyrko, J. Hu, 

A. Agarwal, L. C. Kimerling, N. Carlie, 

L. Petit, K. Richardson, I. Luzinov 

171. Investigation and preparation of hydrolytically 

stable aminosilane-derived layers 

on silica. M. Zhu,W.Chen 

172. Tuning fluorescent response of ultrathin 

film by polymer grafting. 

M. Chyasnavichyus, B. Zdyrko, 

V. Tsyalkovsky, V. Klep, C. Hubert, 

L. Khulordava, I. Luzinov 

173. Morphological and spectral changes of 

anisotropic Ag nanoparticles induced by 

localized surface plasmon resonance. 

E. Kazuma, N. Sakai, T. Tatsuma 

174. Surface modification of nickel nanofibers 

with polymer grafting. 

Y. D. Galabura, R. Burtovyy, B. Zdyrko, 

A. Grigoryev, I. Tokarev, Y. Roiter, 

S. Minko, K. Kornev, I. Luzinov 

175. Identification and isolation of 

Au 40(SR) 24 from the core mass 8kDa gold 

nanoclusters. H. Qian,R.Jin 

176. Nano material based two-photon Rayleigh 

scattering probe for ultrasensitive 

and highly selective detection of Alzheimer’s 

disease biomarker. A. K. Singh, 

D. Senapati, P. C. Ray 

177. Optoelectronic property of 1D self-assembled 

�-conjugated oligopeptide 

nanostructure. Y. Sun, F. Boey, X. Chen 

178. 1D arrangement of Au nanoparticles 

with tunable interparticle distance. 

L. Jiang, J. Ma, F. Boey, X. Chen 

179. Hydrolytic and polymerization activities 

of engineered Endoglucanase immobilized 

on gold. I. Nakamura, Y. Horikawa, 

A. Makino, M. Ohmae, J. Sugiyama, 

S. Kimura 

180. Studying interactions of nanorodaptamer 

conjugates with proteins. 

H. de Puig Guixé,S.H.Baxamusa, 

M. Balcells, K. Hamad-Schifferli 

181. Functionalization of ferromagnetic cobalt 

nanoparticles via ligand exchange 

with polymeric ligands. H. Yoo, 

M. M. Bull, W. Chung, J. Pyun 

182. Stimuli-responsive gold nanoparticles/ 

polymer assemblies. Z. Zhu, 

S. Sukhishvili 

183. Clay-containing responsive multilayers. 

A. Zhuk, S. Sukhishvili 

184. Surface-enhanced Raman spectroscopy 

at single sub-micron silver particles 

from shape-controlled synthesis. 

H. J. Bing 

185. Specific ion effects in emulsion coalescence. 

A. F. Dexter 

186. Solid-phase PCR using graft-copolymer-stabilized 

Au nanoparticles as primer 

supports. J. Kang, I. S. Marks, 

T. A. Taton 

187. Fluorescence resonance energy transfer 

between functionalized Coumarin 

dyes and gold nanoparticles. 

K. Coopersmith, M. Stobiecka, M. Hepel 

188. Detection of homocysteine based on 

gold nanoparticle plasmonic coupling 

monitored by elastic light scattering. 

M. Stobiecka, J. Deeb, M. Hepel 

189. Study of unique behavior of miscible 

and partially miscible systems using a 

spinning drop tensiometer. G. Viner, 

J. A. Pojman 

190. Peptide-surface biointerfaces. 

J. L. Kulp III, K. P. Fears, 

D. Y. Petrovykh, T. D. Clark 

191. Structural and NO x uptake properties of 

Fe-promoted NO x storage materials. 

E. Ozensoy, E. Kayhan, S. Andonova, 

G. Senturk 

192. New amphiphilic invertible polyesters: 

Synthesis and characterization. A. Kohut, 

I. Hevus, A. Voronov 

193. Preparation and properties of ZnO 

nanorods decorated with colloidal gold 

nanoparticles. J. Im,J.Singh, 

J. W. Soares, D. M. Steeves, J. E. Whitten 

194. Preparation and evaluation of pH dualresponsive 

nanoparticles. E. Mahmoud, 

J. Sankaranarayanan, D. Choi, E. Wang, 

G. Kim, A. Almutairi 

195. Fluorescent scaffold based on vaterite 

and water-soluble semiconductor quantum 

dots with potential for biosensing applications. 

R. Krishna Pai, M. Cotlet 

196. Spherical glycosurface assembling 

based on chemoselective and biocompatible 

immobilization and modification of 

intact liposome. Y. Ma, H. Zhang, X. Sun 

197. Surface-initiated ring-opening metathesis 

polymerization of low strain cyclic 

monomers for new materials synthesis. 

M. Z. Lerum,W.Chen 

198. Silica-based Janus nanoparticles simulated 

at the water-decane interface: Evidence 

of emergent behavior. H. Fan, 

A. Striolo 

199. Carbon dioxide and water corrosion of 

a single ZnO nanowire detected using 

second harmonic generation microscopy. 

K. A. Cimatu, K. A. Meyer, K. C. Ng, 

W. B. Whitten, R. W. Shaw 

200. Structure and orientation of hydrocarbon 

adsorbates at �-Al 2O 3 surfaces: 

Comparisons among vapor, liquid, and 

solvated interfaces studied by sum frequency 

generation. A. M. Buchbinder, 

E. Weitz, F. M. Geiger 

201. Stabilization of gold nanoparticles in solution 

by poly(vinyl alcohol) adsorption. 

L. Zhang,W.Chen 

202. Surface-initiated ring-opening metathesis 

polymerization (SiROMP) of cyclooctadiene 

(COD) and subsequent hydroxylation. 

M. N. Hang, M. F. Lerum, 

W. Chen 

203. Direct determination of the Tolman 

length from the bulk pressures of liquid 

drops via Molecular Dynamics simulations. 

A. E. van Giessen,E.M.Blokhuis 

204. Poly(vinyl alcohol) hydrogels as reaction 

matrices for diffusion-controlled reduction 

of tetrachloroauric acid. 

A. S. Erlwanger,W.Chen 


206. Glycosyl-nucleoside amphiphiles as 

components of nanostructured hydrogels 

with nucleic acid delivery capabilities. 

G. D. Godeau, J. Kaplan, 

P. A. Barthélémy, M. W. Grinstaff 

207. Smart functionalized polymer dispersions 

for selective adsorption to metal 

oxide surfaces: New concepts for corrosion 

protection. S. Toews, W. Bremser 

208. Investigating the adhesion forces and 

morphology of polyelectrolyte multilayers 

by atomic force microscopy. S. Ada, 

T. A. Camesano, S. A. Marcott, B. Nair, 

R. Nagarajan 

209. Friction of polyaromatic thiol self-assembled 

monolayers measured with friction 

force microscopy and the surface 

forces apparatus. Y. Yang,M.Ruths 

210. Atomic scale view of cobalt’s chemistry 

in alloys. E. A. Lewis,A.D.Jewell, 

H. L. Tierney, E. V. Iski, E. H. Sykes 

211. Magnetically vectored delivery of cancer 

drugs using remotely on-off switchable 

nanospheres. S. Kong, J. Lee, 

W. Zhang, M. Karin, S. Jin 

212. Polymerization powered microspheres. 

R. A. Pavlick, S. Sengupta, 

T. McFadden, A. Sen 

213. Hierarchical co-assembly of inverse 

photonic crystals. L. Mishchenko, 

B. Hatton, J. Aizenberg 

214. Structure and function of a membraneassociated 

biosurfactant produced by B. 

bacteriovorus. M. A. Ferguson, 

M. Wengen, E. M. Spain, M. E. Nunez 

215. Detection of pathogenic bacteria using 

siderophore patterned gold surfaces. 

W. A. Henne, D. D. Doorneweerd, 

R. G. Reifenberger, P. S. Low 

216. Water-induced superhydrophobicity 

with responsive polymer brushes on 

nanostructured surface. X. Wang, 

G. Qing, T. Sun 

217. Electrospun fibers assembled with multilayered 

TiO 2 nanoparticles for photochemical 

water remediation. J. Lee, 

Y. Nam, G. C. Rutledge, P. T. Hammond 

218. Heterostructured colloidal monolayers 

and hollow silica spheres: Nanoparticles 

as a versatile templating platform. 

M. Retsch, U. Jonas, E. L. Thomas 

219. Active chemotaxis of microparticles in 

response to ion gradients. A. Chertok, 

S. Sengupta, A. Sen 

220. Effect of specific anion on templated 

crystal nucleation at the liquid-liquid interface. 

P. Sanstead, S. Lee, J. Wiener, 

R. Bebawee, A. Hilario 

221. New porous reaction layer for developing 

addressable molecular libraries. 

L. Hu, K. D. Moeller 

222. Catalytic isomerization of allyl alcohols 

using ligand-stabilized Pd nanoparticles. 

E. Sadeghmoghaddam, Y. S. Shon 

223. Synthesis, characterization and Au surface 

tethering of Ti 16-oxo-alkoxy cages. 

S. Eslava, A. C. Papageorgiou, 

S. K. Beaumont, G. Kyriakou, 

D. S. Wright, R. M. Lambert 

224. Suspension microarray based on silica 

nanotube coded with quantum dots. 

Q. Fang, Y. Zhang, I. Hong, W. Yoon, 

H. Ju, S. Son 

225. Dual thermo- and pH-stimuli responsive 

copolymers based on acrylate monomers. 

M. A. Dergunov, S. A. Dergunov, 

O. Guven, E. Pinkhassik, G. A. Mun 

226. Partitioning of charged solutes supporting 

Overton’s rule: The wandering ion. 

P. B. Chatterjee, A. M. Trujillo, 

N. E. Levinger, D. C. Crans 





COLL 

TECH–35


227. Biologically catalyzed synthesis of zinc 

oxide nanoparticles in aqueous medium. 

J. Samson, A. Yampolsky, 

P. C. Nahirney, I. Piscopo, C. M. Drain 

228. Biomimetic fabrication of non-fluorinatedsuperhydrophobic-to-superhydrophillic 

conducting polymer surface 

with reversible wettability and electrochromic 

properties. R. B. Pernites, 

R. Ponnapati, R. C. Advincula 

229. Immobilized Cytochrome P450 enzymes: 

A construct to better predict invivo 

in-vitro correlation. L. Wollenberg, 

J. Kabulski, J. Jett, N. Wu, T. Tracy, 

P. M. Gannett 

230. AFM studies on Ag(I) complexes of G2 

PAMAM dendrimers. A. Jankovich, 

M. Chai 

231. Oxidative template for conducting polymer 

nanoclips. X. Zhang, Z. Liu, 

S. Poyraz, S. P. Surwade, S. K. Manohar 

232. Spherical polyelectrolyte brushes grafting 

from colloical polybutadiene particles 

by photoemulsion polymerization. 

S. Zhao, G. Li, J. Xu, X. Guo 

233. Solubilizing functionalized SWCNTs in 

water using hyper-branched PEI polymers. 

D. Holycross, M. Chai, L. Rakesh 

234. Characterization and tracking of monolayer-protected 

nanoparticles in biological 

systems using mass spectrometry. 

Z. Zhu, B. Yan, O. R. Miranda, 

R. W. Vachet, V. M. Rotello 

235. Interactions among spherical polyelectrolyte 

brushes observed by rheology and 

small angle X-ray scattering. F. Chu, 

W. Wang, L. Li, J. Xu, S. Wu, X. Guo 

236. Nanotemplates from porous molecular 

monolayers self-assembled at solid-liquid 

interfaces. M. Ai,S.Gröper, W. Zhuang, 

X. Feng, K. Müllen, J. Rabe 

237. Correlation between adhesion response, 

surface wettability and charge on 

biocompatible thermoresponsive 

brushes. E. Svetushkina, K. Grundke, 

M. Stamm, C. Bellmann, A. Förster, 

A. Synytska 

238. Synthesis and characterization of intelligent 

poly(methacrylic acid) hydrogels. 

H. Cheng, J. Xu, L. Li, X. Guo 

239. Electron tunneling through monolayers 

self-assembled on a hanging mercury 

drop electrode in the presence of aliphatic 

alcohols. E. Adaligil, K. Slowinski 

240. Thrombus-targeted theranostic nanoagents 

for fibrinolysis. J. R. McCarthy, 

I. Y. Sazonova, R. Weissleder, G. L. Reed, 

F. A. Jaffer 

241. Controlled aggregation of superparamagnetic 

iron oxide by electrostatic complexation. 

S. P. Nair, J. Dinglasan, 

D. J. Anderson 

242. Protein adsorption and exchange at the 

solid/liquid interface: A neutron reflectivity 

study. E. G. Latter,R.K.Thomas, 

J. Penfold 

243. Arsenic encapsulation in iron nanoparticles: 

Evidence of intraparticle reactions. 

W. Yan, M. A. Valencia Ramos, 

B. E. Koel, W. Zhang 

244. Role of cranberry juice cocktail on inhibition 

of urinary tract infections. 

Y. Zhang, Y. Tao, P. A. Pinzon-Arango, 


245. Stability of colloidal lipid nanosystems. 

S. Savarala, M. A. IIies, S. L. Wunder 

246. Disassembly of aggregated amphiphilic 

small molecule surfactant by phosphatase. 

N. Sekar, S. Thayumanavan 

247. Initial steps of biofilm formation of Listeria 

monocytogenes EGDe. F. P. Gordesli, 

N. I. Abu-Lail 

248. Fabricating Ag clusters on PVA films 

through fern-like crystalline templating. 

Y. Chan, W. Lin, J. Lin 

249. Reversible phase transition of polymer 

brushes prepared from dual-head initiator 

ATRP grafting poly(N-isopropylacrylamide) 

on silicate platelets. B. Hsieh, 

Y. Su, H. Lin, Y. Lan, Y. Chen, Y. Sheng, 

Y. Sheng, J. Lin, J. Lin 

36–TECH 


250. Towards surface design to control crystallization: 

Understanding the roles of surface 

chemistry and morphology in heterogeneous 

nucleation. Y. Diao, 

A. Myerson, T. A. Hatton, B. Trout 

251. Effects of electropolymerized poly(3,4ethylenedioxythiophene) 

(PEDOT) film 

with porous structure as a hole collecting 

layer on bulk heterojunction photovoltaic 

cells. J. Park, J. J. Peterson, 

N. Hendricks, K. R. Carter 

252. Synthesis of silver nanocomposite films 

of enhanced antimicrobial activity. 

T. Radhakrishnan, M. K. Georges, 

V. Djoković 

253. Lipid bilayer membrane array and automated 

membrane formation. J. Park, 

Y. Baek, T. Jeon 

254. Self-assemblies of diblock copolymers 

for nanostructured carbon and inorganic 

materials. S. Kim, S. Jeon, H. Kim, 

Y. Lee, B. Sohn 

255. STM study of solvent effects in the 

asymmetric hydrogenation of trifluoroacetophenone 

on chirally modified platinum. 

J. Brunelle, G. Mahieu, 

V. Demers-Carpentier, S. Lavoie, 

P. H. McBreen 

256. Antibacterial activity of cubic boron nitride 

(cBN) coatings on stainless steel 

grade 316 (316L). E. Uzunoglu, K. Derici, 

D. Biriken, B. Kaftanoglu, M. Sengonul 

257. Synthesis of core-shell quantum dots 

via MAPS. H. Han, P. Lutz, M. M. Maye 

258. Modular phase transfer and ligand exchange 

protocol for quantum dots. 

J. Zylstra, N. Miska, M. Maye 

259. Mechanical properties of glycosyl-nucleoside-lipid 

hydrogels. J. A. Kaplan, 

G. Godeau, P. Barthélémy, 

M. W. Grinstaff 

260. Unidirectional self-assembly of colloidal 

crystals under centrifugal force field. 

S. Lee, G. Yi, W. Jeong, S. Yang, 

K. F. Jensen, J. Baek 

261. Crystal growth of CuS on structured 

surfaces. Y. Vasquez, E. M. Fenton, 

V. Chernow, J. Aizenberg 

262. Organic oxygenates on titania: A 

thermo- and photochemical study. 

P. Clawin, K. Al-Shamery, C. M. Friend 

263. Evaluation method for the interaction 

between endocrine disrupting chemicals 

(EDCs) and model biomembrane liposome. 

Y. Nakane,I.Kubo 

264. Surface modification to control biomaterial-adherent 

macrophage activation. 

K. R. Park, J. D. Bryers 

265. How the solid surface affects the velocity 

of liquid at an interface. A. Ponjavic, 

J. Wong 

266. Quantification of protein adsorption 

onto alkylsilane monolayers using Whispering 

Gallery Mode resonance biosensing 

in optical microcavities. K. A. Wilson, 

C. C. Finch, F. Vollmer, P. Anderson, 

J. J. Hickman 

267. Smart surfaces based on mixed polymer 

brushes: A combined layer-by-layer 

(LbL) and surface-initiated polymerization 

(SIP) approach. N. C. Estillore, 


268. STM studies of adsorbate-induced surface 

restructuring of Pt(100) in ethylene 

adsorption, hydrogenation, and poisoningbyCO.D. 

R. Butcher, 

M. B. Salmeron, G. A. Somorjai 

269. In situ monitoring platform for nanolithography 

by combining conducting 

probe atomic force microscopy and tipenhanced 

Raman spectroscopy techniques. 

C. Chang, J. D. Batteas 

270. Nanoparticle stabilized capsules for encapsulation 

and delivery. Y. Jeong, 

V. M. Rotello, B. Samata, S. Agasti, 

X. Yang 

271. Statistical modeling of particle interactions 

with nano-featured surfaces in flow. 

M. Bendersky, J. M. Davis, 

M. M. Santore 

272. Surface-enhanced Raman scattering 

analysis of perchlorate using silver nanofilms 

deposited on copper foils. J. Hao, 

Z. Xu, M. Han, S. Xu, X. Meng 

273. Tuning the encapsulation stability of 

nanoparticles for drug delivery containers. 

S. Jiwpanich, J. Ryu, S. Bickerton, 

S. Thayumanavan 

274. Intracellular delivery of anticancer drugs 

within a monolayer of gold nanoparticles. 

C. Kim, Z. Zhu, V. Rotello 

275. Chemically directed immobilization of 

nanoparticles on gold substrates and orthogonal 

assembly using dithiocarbamate 

bond formation. M. Park,X.Duan, 

B. Creran, J. Huskens, V. M. Rotello 

276. Biomimetic high density lipoprotein 

nanoparticles for the treatment of heart 

disease. A. J. Luthi, D. Kim, W. L. Daniel, 

H. Zhang, D. A. Giljohann, C. Thaxton, 

C. A. Mirkin 

277. Nanoparticle-immunolabeling of hepatocellular 

carcinoma. D. Rand, V. Ortiz, 

Z. Derdak, J. R. Wands, C. Rose-Petruck 

278. Molecular tweezer: SWNT supramolecular 

complexes. J. R. Alston, 

M. Etzkorn, J. C. Poler,J.C.Timmerman 

279. Competitive interactions in surfactant 

solutions: A neutron scattering investigation. 

A. Fajalia, M. Tsianou 

280. Arsenate detection by surface-enhanced 

Raman scattering using Ag nanofilms 

deposited on glass slides. M. Han, 

J. Hao, X. Meng 

281. Small angle X-ray scattering as universal 

tool for investigating the nucleation 

and growth processes of nanoparticles. 

J. Polte, R. Kraehnert, A. Thuenemann, 

F. Emmerling 

282. Selective detection of chemical and biological 

toxins using gold nanoparticle 

based two-photon scattering assay. 

S. Banerjee,P.Ray 

283. Naturally derived surface active polymers 

based on Chitosan. R. M. Bouldin, 

S. Shingi, R. Nagarajan 

284. Characterization of acid-base and redox 

properties of metal oxide nanoparticles 

in water using probe-molecule FTIR 

spectroscopy. S. Ponnurangam, 

I. Chernyshova, P. Somasundaran 

285. Effect of substrate on the structure and 

properties of mesoporous silica thin films. 

J. M. Allen, M. G. Bakker, R. Schad, 

X. Li, D. Lee, J. Wang 

286. Effect of temperature and incubation 

time on the in situ synthesis of gold nanoparticle 

assemblies. M. Kerrigan, 

T. Chase, A. Bonday, K. Bandyopadhyay 

287. Measuring surface potential of mixed 

surfactant micelles using indicator dyes. 

G. F. Kirton, A. Arveschoug,K.Kimura 

288. Electrochemical and hydrogen peroxide-driven 

oxidation of N G -hydroxy-L-arginine 

by films containing oxygenase domain 

of inducible nitric oxide synthase. 

M. So, M. Bayachou 

289. Size, shape, and color tunable copper 

nanoparticles: Photochemical syntheses 

and growth mechanisms for particles. 

J. J. Determan, S. Marpu, A. K. Wilson, 

M. A. Omary 

290. 2D assembly of disk-like molecules. 

I. P. Hamilton,L.Li 

291. Synthesis and structure of bicelle-templated 

periodic mesoporous silicas. 

P. Mohanty, J. Lee, K. Glover, 

K. Landskron 

292. Retention of colloids on calcite and 

limestone as a function of surface topography 

and roughness. G. K. Darbha, 

T. Schäfer, A. Lüttge, C. Fischer 

Section B 


Galleria Room 





Applications 

J. Texter, R. Nagarajan, Organizers 

6:00–8:00 

293. Nanoconjugation alters dynamics, localization 

and mechanism of receptor internalization. 

S. Bhattacharyya 

294. Conformation of antimicrobial peptide 

Cecropin P1 C immobilized on silica surface 

using Molecular Dynamics Simulation. 

H. Chang, X. Wu, C. Mello, 

R. Nagarajan, G. Narsimhan 

295. Antiangiogenic properties of gold nanoparticles: 

Effect of size and surface 

charge. R. R. Arvizo,O.R.Miranda, 

R. Bhattacharya, V. M. Rotello, 

P. Mukherjee 

296. Facile synthesis, silanization and biodistribution 

of biocompatible quantum 

dots. N. Ma, A. F. Marshall, S. Gambhir, 

J. Rao 

297. Viral nanostructures: In vitro self-assembly 

of Parvovirus B19-like particles. 

S. P. Sanchez-Rodriguez, 

J. M. Mora-Pale, J. S. Dordick, 

I. Bustos-Jaimes 

298. Surface mineralization of Ti6Al4V with 

calcium apatite for retention/delivery of 

rhBMP-2. J. Smits, D. Ayers, J. Song 

299. Study of mesoscopic structures in 

aqueous solutions using light scattering. 

D. Subramanian,M.A.Anisimov, 

I. K. Yudin 

300. Role of macropinocytosis in DNA transfections 

with charge-reversal amphiphiles. 

X. Zhang, P. Allen, M. W. Grinstaff 

301. Directing molecular self-assembly: An 

AFM study. J. Yu 

302. Effective elasticity of a flexible filament 

bound to a deformable cylindrical surface. 

A. Saric, J. C. Pamies, A. Cacciuto 

303. Surface charge determines functional 

interactions between nanoparticles and 

cells. R. R. Arvizo, P. Mukherjee, 

Y. Prakash, M. A. Thompson, 

O. R. Miranda, J. D. Robertson, 

V. M. Rotello 

304. Retention of colloids at rough rock and 

mineral surfaces as a function of size, 

charge, and polydispersity: An analog 

study. G. K. Darbha, A. Michler, 

T. Schäfer, A. Lüttge, C. Fischer 

305. Stable suspension of mixed iron oxide/ 

cobalt oxide nanoparticles in aqueous 

surfactant solutions and their use for 

mixer studies in liquids feeds. 

N. N. Barashkov, D. Eisenberg, 

S. Eisenberg, I. S. Irgibaeva, A. Mantel, 

T. S. Novikova 

306. Self-assembled fluorescent organic 

nanotubes for selective surface recognition 

as biosensory platform. C. Kim, 

J. Lee 

Section C 


Galleria Room 




C. Lieber, J. Texter, P. Alivisatos, 

Organizers 

6:00–8:00 

307. Microemulsion synthesis of Buffer stable 

Chitosan-PGA hybrid nanoparticles 

for biomedical applications. A. Malhotra 

308. Probing nanoscale redox transitions at 

molecular junctions using conductive 

probe atomic force microscopy. 

L. R. Ditzler, A. V. Tivanski 

309. Antimicrobial studies of biocompatible 

colloidal silver nanoparticles with tunable 

visible to near-infrared plasmonic absorptions. 

S. Marpu, S. Kolailat, 

R. Charturvedi, J. Shah, Z. Hu, 

M. A. Omary 






consent from ACS.

310. Growth kinetics of nanoparticles: Investigating 

the effect of sacrificial nanoparticles 

to produce size focusing (quantized 

Ostwald ripening). P. Dagtepe, V. Chikan 

311. Nanowire nanoelectronics: Building interfaces 

with cell and tissue at the natural 

scale of biology. T. Cohen-Karni, 

B. P. Timko, Q. Qing, B. Tian, 

C. M. Lieber 

312. Wave front velocity oscillations of carbon 

nanotube-guided thermopower 

waves: Nanoscale alternating current 

sources. M. S. Strano, 

J. T. Abrahamson, W. Choi, J. Han, 

K. Kalantar-zadeh 

313. Understanding protein binding triggered 

disassembly of micellar nanostructures 

formed by amphiphilic macromolecules. 

D. F. Amado Torres, 

M. A. Azagarsamy, S. Thayumanavan 

314. Rationally designed peptide conjugates 

for directing the simultaneous synthesis 

and assembly of complex nanoparticle 

superstructures. N. L. Rosi, L. Hwang, 

C. Song, C. Chen, P. Zhang 

315. Synthesis of magnetic nanoparticles in 

spherical polyelectrolyte brush as nanoreactor. 

Y. Zhu, K. Chen, L. Li, X. Guo 

General Catalysis Sponsored by CATL 


and PETR 


Section A 



Surface Chemistry of Chiral Interfaces 

D. Sholl, Organizer 

A. Gellman, Organizer, Presiding 

8:30 316. Bestowing chirality on solid surfaces. 

Z. Ma, I. Lee, J. Lai, L. Mueller, 

F. Zaera 

8:55 317. Transmission of molecular chirality 

through multiple length scales. 

E. V. Iski, A. D. Jewell, H. L. Tierney, 

E. H. Sykes 

9:20 318. Chiral evolution on Cu(100). 

G. Contini, P. Gori, F. Ronci, N. Zema, 

S. Colonna, M. Aschi, A. Palma, 

S. Turchini, D. Catone, A. Cricenti, 

T. Prosperi 

9:45 319. Chiral effects in the adsorption of 

amino acids on metals and minerals. 

D. Sholl,J.Han 

10:10 320. Mirror symmetry breaking at the 

single molecule level. H. L. Tierney, 

A. D. Jewell, E. V. Iski, A. E. Baber, 

E. H. Sykes 

10:35 321. Chiral gold nanoparticles: Synthesis, 

chiroptical properties and ligand 

exchange reactions. S. Knoppe,T.Bürgi 

11:00 322. Unravelling chiral ligand-capped 

gold nanoparticle chirality and exploiting 

their use as chiral dopants for liquid crystal 

applications. H. Qi, J. D. O’Neil, 

T. Hegmann 

11:25 323. Enantioselective chiral nanoparticles. 

A. J. Gellman, N. Shukla, M. Bartel 

Section B 


Alcott 



Applications 

Polymer Nanomaterials for Drug Delivery 


E. Davis, Presiding 

8:30 324. Electrically triggered release of a 

small molecule therapeutic from a polyelectrolyte 

multilayer thin film. 

D. J. Schmidt, J. S. Moskowitz, 

P. T. Hammond 

8:50 325. Layer-by-layer films for triggered 

release of antibacterial agents. 

S. V. Pavlukhina, A. Patimetha, 

S. Sukhishvili, M. Libera 

9:10 326. Surface modification with NIPAM 

containing nanogels. M. J. Seeber, 

R. Burtovyy, B. Zdyrko, C. Tsai, 

K. G. Kornev, I. Luzinov 

9:30 327. Halloysite: Polymer composite 

films for controlled release applications. 

C. J. Ward, S. Song, E. W. Davis 

9:50 328. Slow release and magnetic resonance 

imaging of anti-cancer drug molecules 

carried by poly(propylene fumarate) 

scaffolds. J. Choi,K.Kim,T.Kim,G.Liu, 

T. Hyeon, M. T. McMahon, J. W. Bulte, 

J. P. Fisher, A. A. Gilad 

10:10 329. Drug delivery nanoparticles from 

Amphiphilic polymers with sharp hydrophobic/hydrophilic 

contrast. Z. Cao, 

S. Jiang 

10:30 330. Modulated supramolecular release 

of drugs from dendrimer-nanoparticle 

composite films. M. Park, 

V. M. Rotello 

10:50 331. Encapsulation of nanoparticles 

within glucan microparticles for drug delivery. 

E. R. Soto, C. Mueller, G. Gao, 

G. R. Ostroff 

11:10 332. Development of a block copolymer 

for delivery of novel anti-inflammatory 

agents for severe asthmatics. 

M. Scionti, N. K. Comolli, R. A. Panettieri 

11:30 333. Morphogenesis of calcium biominerals 

effected by polyelectrolytes. 

M. China, M. Tsianou 

Section C 


Burroughs 


Membranes 

Suspended Membranes and Vesicles 

I. Koeper, J. Robertson, Organizers 

K. Hristova, Organizer, Presiding 


8:35 334. High throughput ion channel measurement 

platforms using artificial lipid 

membranes. J. Schmidt 

9:05 335. Highly stabilized polymeric suspended 

lipid bilayers with enhanced fluidity 

for ion channel recordings. B. A. Heitz, 

T. J. Comi, R. P. Cordero, 

C. A. Aspinwall, S. S. Saavedra 

9:25 336. Nanopore-based single molecule 

determination of polymer-cation binding 

and membrane protein dynamics. 

J. E. Reiner, J. J. Kasianowicz, 

J. W. Robertson 

9:55 337. Interactions of phospholipid bilayers 

with several classes of amphiphilic ahelical 

peptides: Insights from coarsegrained 

molecular dynamics simulations. 

P. Gkeka, L. Sarkisov 

10:15 338. Selective tethering of ligands and 

proteins to a microfluidic patterned electroactive 

fluid lipid bilayer array. 

M. N. Yousaf 

10:35 339. Controlled loading of organic 

molecules into self-assembled bilayers. 

S. A. Dergunov,S.C.Schaub, 

A. Richter, E. Pinkhassik 

10:55 340. DNA mediated artificial cell functionalization 

in the microfluidic environment. 

J. Xu, P. A. Beales, T. K. Vanderlick 

11:15 341. Liposomes for orthogonal highthroughput 

selection of cell penetrating 

peptides. J. R. Marks, W. C. Wimley 

Section D 


Carlton 


Nanomaterials and Polymer 

Nanocomposites 



E. Maeder, Presiding 

8:30 342. Polymer matrix nanocomposites 

for highly enhanced electrical conduction 

and improved mechanical properties. 

S. Bandyopadhyay, M. R. Mada, 

D. R. Saha 

9:10 343. Nanostructured fibre sizings for 

interphase modification in composites. 

E. Maeder 

9:40 344. Nanoparticle deposition on packaging 

materials by the liquid flame spray. 

M. Tuominen 

10:00 345. Surface modification of multiwalled 

carbon nanotubes with oxygen 

and chlorine atoms. L. Oliveira, T. Debies, 

G. A. Takacs 

10:20 346. Cyanate ester/multiwalled carbon 

nanotube nanocomposites: Synthesis 

and characterization including adhesive 

properties. M. N. Sarojadevi, 

M. N. Rakesh 

10:40 347. Electrostatic adhesion mediated 

by ions helps making multicomponent 

nanostructured materials. F. Galembeck, 

L. Valadares, M. M. Rippel 

11:00 348. Exploiting adhesion forces to 

form superplastic nanowires of common 

salt. N. W. Moore,J.Luo,J.Y.Huang, 

S. X. Mao, J. E. Houston 

11:20 349. Effective elastic properties of 

biopolymer composites with imperfect 

adhesion between constituents analysed 

using hybrid identification strategy. 

S. Guessasma, D. Bassir 

11:40 350. Fiber-reinforced composites: Expanding 

minimal invasive applications in 

dentistry. M. Özcan 

Section E 


Lewis 


Photonics and Plasmonics 


Presiding 


9:00 351. Breaking the diffraction limit of 

light microscopy: Nanoscopic imaging 

with STORM. X. Zhuang 

9:40 352. Nonlinear coherent optical imaging 

for biology and medicine: The quest 

for ultimate sensitivity. X. Xie 


10:40 353. Single molecules as nanoscopic 

probes of 3D structure and metallic nanoantennas. 

W. Moerner 

11:20 354. Plasmonics – the next ten years. 

H. A. Atwater 

Surface Science of Catalysis Sponsored by 

CATL (probationary), Cosponsored by COLL, 



Section A 



Langmuir Award Lectures 

W. Tysoe, Organizer, Presiding 

2:00 355. Catalytic chemistry and self-assembly 

on metal surfaces. 

R. M. Lambert 

2:20 356. Engineering the nanoparticle interface 

for materials and biological applications. 

V. M. Rotello 


Section A 



Symposium in Honor of Richard Lambert 

C. Sykes, Organizer, Presiding 


8:40 357. Surface reaction pathways on 

model palladium catalyst surfaces. 

W. T. Tysoe 

9:05 358. Nanostructured materials from the 

electrochemical reduction of lyotropic liquid 

crystalline phases. D. J. Watson, 

K. A. Asghar, J. M. Elliott 

9:30 359. Phosphine coordination materials 

as hybrid catalysts. S. M. Humphrey, 

A. J. Nunez, S. Won 

9:55 360. Heterogeneously-catalyzed C-C 

and C-N bond forming reactions on 

Au(111) and gold catalysts. G. Kyriakou, 

S. K. Beaumont, V. K. Kanuru, 

A. C. Papageorgiou, D. J. Watson, 

S. M. Hamphrey, R. M. Lambert 

10:20 361. Influence of N and Sn doping on 

electronic structure and photocatalytic 

activity of TiO 2. R. G. Egdell 

10:45 362. Cleaning of multilayer mirrors 

used in EUV photolithography and synchrotron 

light sources: A surface science 

approach. R. B. Grant, D. j. Davis, 

A. Keen, G. Kyriakou, A. V. Stevens, 

M. Tikhov, R. M. Lambert 

11:10 363. Tuning the catalytic properties of 

Au nanoparticles. F. Illas 

11:35 364. Plasma assisted catalysis applied 

to environmental chemistry and energy 

conversion processes. J. L. Hueso, 

V. J. Rico, J. Cotrino, 

A. R. Gonzalez-Elipe 

Section B 


Alcott 



Applications 

Applications of Biomolecules 


R. Narain, Presiding 

8:30 365. Applications of nanocrystal labeled-high 

density lipoproteins for multimodality 

imaging of cardiovascular disease. 

D. P. Cormode, T. Skajaa, 

E. Roessl, A. Thran, R. Proksa, 

E. A. Fisher, Z. A. Fayad, W. J. Mulder 

8:50 366. Peptides as salt-resistant emulsifiers. 

A. F. Dexter 

9:10 367. Doxorubicin-loaded and antibodyconjugated 

liposome-QD hybrid vesicles 

for targeted cancer therapy and imaging. 

B. Tian, W. T. Al-Jamal, 

J. Van den Bossche, M. Stuart, 

J. G. Raynes, K. Kostarelos 

9:30 368. Peptide-based surface coatings 

for the inhibition of pathogenic biofilms 

on titanium. X. Khoo,G.O’Toole, 

D. Kenan, M. Grinstaff 

9:50 369. Self assemblies of liquid crystalline 

lipid A-phosphates. H. H. Paradies, 

C. A. Faunce 

10:10 370. Cationic glyconanoparticles as 

efficient gene delivery systems. 

R. Narain,M.Ahmed 

10:30 371. Lectin-conjugated fluorescent 

silica nanoparticles for quantitative histopathology 

evaluations of tissue biopsies. 

Y. Wang, M. Zimmt, D. Gnepp, 

J. Gildersleeve 

10:50 372. Synthetic zwitterlation of enzymatic 

proteins for functional stability. 

A. Keefe 

11:10 373. Surface properties of amyloid 

beta (1-42) mixed or conjugated to quantum 

dots. G. Thakur, R. M. Leblanc, 

M. Micic 





COLL 

TECH–37


11:30 374. Bio-inspired synthesis and coating 

of nanoparticles for biological applications. 

Y. Zheng, J. Xie, J. Jiang, 

J. Y. Ying 

Section C 


Burroughs 

Inorganic-Organic Solar Cells 

L. Chen, Organizer 

G. Meyer, Organizer, Presiding 


8:35 375. What makes dye cells tick, or kick 

the bucket? Injection, regeneration, and 

collection efficiencies in new, old, dry, 

and wet dye sensitized solar cells. 

B. C. O’Regan, P. R. Barnes, C. Law, 

A. Y. Anderson, A. Listorti, J. R. Durrant, 

T. Ghaddar, R. Humphry-Baker 

9:05 376. Nanostructured photoelectrodes 

for light to electrical energy conversion. 

J. Hupp 

9:30 377. Electric field effects in dye sensitized 

solar cells. G. Meyer,S.Ardo, 

J. Rowley 

9:55 378. Ruthenium “star” complexes as 

sensitizing dyes. E. Galoppini,Y.Zhang, 

P. Johansson, G. J. Meyer 


10:35 379. Quantum dot sensitized solar 

cells: Mapping photoinduced charge 

transfer processes. P. V. Kamat 

11:00 380. Studies of oxomanganese complexes 

for natural and artificial photosynthesis. 

V. S. Batista 

11:25 381. Dye sensitized solar cells and organic 

photovoltaics: Alternatives to the 

usual. C. M. Elliott, D. J. Bates, 

C. B. Moss, L. N. Ashbrook, 

C. A. Bignozzi, S. Cazzanti 

11:50 382. Funneling solar energy and 

charge at sensitized mesoporous films. 

S. Ardo, G. J. Meyer 

12:05 383. Chemical modification of III-V 

semiconductor photoelectrodes for photoelectrochemical 

energy conversion and 

storage. S. Maldonado 

Section D 


Carlton 


Wood and Paper Adhesion 



C. Frihart, Presiding 

9:00 384. Wood joints adhesion and performance 

in mechanical friction welding of 

wood without adhesives. A. Pizzi 

9:40 385. Challenges in measuring the adhesion 

properties and surface energy of 

cellulose nanofibrils. D. J. Gardner 

10:00 386. Silane coupling agents as wet 

end aids for papermaking process. 

O. Paquet, E. Zeno, M. Brochier-Salon, 

N. M. Belgacem 

10:20 387. Challenges in understanding the 

performance of wood adhesives. 

C. R. Frihart 


11:00 389. Effect of soy protein modifications 

and fiber surface treatments on their 

impact on interfacial shear strength with 

cellulose fibers. A. N. Netravali 

11:20 390. Proteins as wood adhesives. 

C. R. Frihart, C. G. Hunt, M. J. Birkeland 


38–TECH 


Section E 


Lewis 

Nanoscale Characterization of Microbes 

and Cells 


N. Abu Lail, M. Nunez, Organizers 

T. Camesano, Organizer, Presiding 


9:05 392. Immunoimmobilization and 

nanoscale manipulation of living bacteria. 

Z. Suo, M. Deliorman, X. Yang, 

L. Loetterle, R. Avci 

9:25 393. Nanoscale adhesion of Listeria 

monocytogenes EGDe to silicon nitride as 

a function of growth temperatures. 

F. P. Gordesli, N. I. Abu-Lail 

9:45 394. Trypanosoma brucei flagellum reveals 

unique and dynamic structures of a 

nanomachine. A. Y. Koyfman, 

M. F. Schmid, L. Gheiratmand, 

H. A. Khant, C. J. Fu, C. Y. He, W. Chiu 

10:05 395. Anti-sporal activity of antimicrobial 

peptides against Bacillus anthracis. 

P. A. Pinzon-Arango, R. Nagarajan, 


10:25 396. Surface adhesion profile change 

of uropathogenic E. coli in urine after oral 

consumption of cranberry juice cocktail. 

Y. Tao, P. A. Pinzon, A. B. Howell, 


10:45 397. Nanoscale comparisons of the 

adhesion strength measured between silicon 

nitride and L. monocytogenes’ 

strains of environmental or epidemic origin 

under fixed environmental conditions. 

A. Eskhan, N. Abu-Lail 

11:05 398. Nanomaterial - cell interaction 

measurement platforms. E. Mansfield, 

S. Hooker 

11:25 399. Probing the interaction forces 

between bacterial biofilms and surfaces 

with atomic force microscopy. 

A. E. Murdaugh, K. Aidala, M. Nunez 

11:45 400. Listeria monocytogenes: Mucin 

interactions in gastrointestinal infections. 

N. Yurt-Beyenal, N. Abu-Lail 


Section A 




C. Sykes, Organizer 

C. Baddeley, Presiding 


1:35 401. Conversion of waste biogas over 

supported nickel catalysts and solid oxide 

fuel cell anodes: Carbon deposition, 

sulphur poisoning and characterisation of 

hydrocarbonaceous overlayers formed 

during reforming. R. M. Ormerod, 

C. J. Laycock, J. Z. Staniforth, 

A. L. Hopkin, G. J. Moore, 

I. P. Silverwood, N. G. Hamilton, 

D. Lennon, C. D. Frost, S. F. Parker 

2:00 402. X-ray studies of catalytic clean 

technologies. A. F. Lee 

2:25 403. Electrochemical promotion of catalysis. 

C. G. Vayenas 

2:50 404. Tuneable solid acid catalysts for 

clean chemical technologies. K. Wilson 

3:15 405. Particle size and support effects in 

electrocatalysis. B. Hayden 

3:40 406. RML inspired research in surface 

chemistry. F. J. Williams 

4:05 407. Towards a surface science of molecular 

crystals: Studies with soft X-ray 

spectroscopies. S. L. Schroeder, 

J. S. Stevens, H. M. Zaki, A. M. Booth 

4:30 408. Combining catalysts and light: Environmental 

applications of nanoparticles 

and nanostructures. A. Orlov 

4:55 409. Deciphering the mechanism for 

covalent alkyl monolayers on silicon. 

M. V. Lee, T. M. Willey, J. R. Lee, 

D. E. Brehmer, D. Enders, T. Nagao, 

M. R. Linford, K. Ariga 

Section B 


Alcott 



Applications 

Nanoparticles Synthesis and Properties 


I. Sokolov, Presiding 

1:30 410. Synthesis and surface modification 

of colloidal Yb 3� ,Er 3� codoped 

NaYF 4 upconversion nanophosphors for 

photodynamic therapy. J. Shan, 

S. J. Budijono, R. K. Prud’homme, Y. Ju 

1:50 411. High yield synthesis and optical 

properties of Ag 10 clusters. A. Mohanty, 

N. Garg, R. Jin 


2:30 413. Large-scale synthesis of uniformsized 

nanocrystals and their designed assembly 

for multifunctional biomedical applications. 

T. Hyeon, B. Kim, M. Park, 

J. Lee 

2:50 414. Plasmonic copper selenide 

nanocrystals for photothermal therapy. 

C. M. Hessel, V. Pattani, M. Rasch, 

J. L. Hueso, J. W. Tunnell, B. A. Korgel 

3:10 415. Ultrabright fluorescent mesoporous 

silica particles, both nano and micro. 

D. O. Volkov, E. Cho, I. Sokolov 

3:30 416. Engineered SERS substrates with 

multiscale signal enhancement: Nanoparticle 

cluster arrays. B. Yan, B. Reinhard 

3:50 417. Nucleation and growth studies as 

essential basis for manipulating the properties 

of nanomaterials. J. Polte, 

R. Kraehnert, A. Thuenemann, 

F. Emmerling 

4:10 418. Small-angle X-ray scattering study 

of readily controllable palladium nanoparticle 

formation on viral nanotemplates. 

A. K. Manocchi, B. Lee, H. Yi 

4:30 419. Biomimic approach for Visible- 

NIR water soluble colloidal quantum dots. 

Q. Song,X.Ai 

4:50 420. Tuning the spectral properties of 

cyanine based near infrared fluorescent 

nanoparticles. S. Das, D. Bwambok, 

B. El-Zahab, J. D. Monk, S. L. de Rooy, 

F. Hung, G. Baker, I. M. Warner 

Section C 


Burroughs 


G. Meyer, Organizer 

M. D. McGehee, Presiding 

L. Chen, Organizer, Presiding 

2:00 421. Engineering interfacial layers and 

compatible polymers for organic photovoltaics. 

T. Marks 

2:30 422. Using time-resolved THz spectroscopy 

to study carrier dynamics in 

TiO 2 nanotubes. C. Richter, 

C. Schmuttenmaer 

2:55 423. Progress in development of new 

semiconducting polymers for highly efficient 

organic solar cells. L. Yu 


3:35 424. Increasing light harvesting with 

energy transfer in organic-inorganic solar 

cells. M. D. McGehee 

4:00 425. Long-range energy transfer between 

conjugated polymers and 

fullerenes: Implications for bilayer plastic 

solar cells. B. J. Schwartz,A.L.Ayzner, 

S. Doan, B. Tremolet de Villers, 

S. H. Tolbert 

4:25 426. Structure, dynamics and power 

conversion efficiency correlations in new 

low bandgap polymer:PCBM solar cells. 

L. X. Chen, J. Guo, J. M. Szarko, 

Y. Liang, B. S. Rolczynski, B. Lee, H. Son, 

L. Yu 

4:50 427. Energetics and structure of metal/ 

semiconducting polymer interfaces. 

C. T. Campbell, J. A. Farmer, J. Sharp, 

J. M. Gottfried, J. Zhu 

Section D 


Carlton 


Adhesion Mechanism and Testing 



S. Bandyopadhyay, Presiding 

2:00 428. Adhesion control through engineered 

macromolecular interphases. 

W. S. Gutowski, S. Li, G. Toikka 

2:40 429. Predictions of solid film properties 

derived from thermochemical kinetic 

analysis of raw resin formulations. 

A. Kandelbauer, G. Wuzella, 

A. R. Mahendran, I. Taudes, P. Widsten 

3:00 430. Recent research trends in high 

performance pressure-sensitive adhesives. 

H. Hyun-Joong Kim, 

S. Sumin Kim 

3:20 431. Latest developments in the 

scratch test for adhesion measurement of 

thin films and coatings. N. Randall 

3:40 432. Estimation of the adhesion 

strength of particles/residues and gate 

structures for calculating the damage 

threshold of patterned silicon wafers during 

physical force assisted cleans. 

S. Halder, T. Kim, A. Pacco, K. Kenis, 

M. Claes, R. Vos, S. De Gendt, 

P. Mertens 

4:00 433. Fundamental studies of clathrate 

hydrate adhesion. J. D. Smith, 

A. J. Meuler, Y. Cui, R. E. Cohen, 

G. H. McKinley, K. K. Varanasi 

Section E 


Lewis 


and Cells 

Nanoscale Characterization of Mammalian 

and Microbial Cells 

T. Camesano, M. Nunez, Organizers 

N. Abu Lail, Organizer, Presiding 

2:00 434. AFM study of epithelial cells: Towards 

“physical markers” of cancer. 

I. Sokolov, M. E. Dokukin, N. V. Guz, 

S. Iyer, R. M. Gaikwad, C. D. Woodworth 

2:40 435. Chemical imaging of lipid distribution 

within cell membranes with high-resolution 

secondary ion mass spectrometry. 

M. L. Kraft, K. Lou, J. F. Frisz, 

P. K. Weber, K. J. Carpenter, 

W. P. Hanafin, I. D. Hutcheon 






consent from ACS.

3:00 436. Role of extracellular mechanical 

stress in cancer metastasis. 

S. Muralidharan, C. B. Mudianselege, 

K. Dorrance, N. Srividya, N. Abu-Lail 

3:20 437. Cellular crystallography: Generation 

and detection of 2D membrane protein 

crystals in living cells. E. Gualtieri, 

F. Guo, J. Jose, M. Zhalnina, W. Cramer, 

R. Kuhn, W. Jiang, G. Simpson 

3:40 438. Mechanical stress induced phosphatidyl 

serine translocation in cancer 

cells. S. Muralidharan, T. Gay, S. Patel 

4:00 439. Single-cell analytic technology to 

measure dynamic antigen-specific responses 

of human CD4 � T cells. J. Choi, 

E. M. Bradshaw, Q. Han, S. C. Kent, 

D. A. Hafler, J. Love 

4:20 440. Examining the lipopolysaccharide 

layer conformation and bacterial adhesion 

to human airway epithelial cells under 

various genetic mutations. 

I. E. Ivanov, T. A. Camesano, E. Kintz, 

J. B. Goldberg 

4:40 441. Modeling of naphthalene biodegradation 

by Paenibacillus naphthalenovorans. 

S. Aliyeva, J. N. Petersen, 

N. I. Abu-Lail 




Environmental Processes Sponsored by 



Section D 


Carlton 


Mechanics Aspects of Adhesion 



E. Sancaktar, Presiding 

8:00 442. Roles of adhesion in tribology of 

microsystems. S. K. Sinha 

8:40 443. Adhesion controlled by multiscale 

interface residual stresses. K. Kim 

9:10 444. Physical-chemical mechanics of 

contact adhesion. E. D. Shchukin 

9:40 445. Adhesion and boundary friction of 

aromatic monolayers. M. Ruths,Y.Yang 

10:00 446. Improved approaches to analyse 

the non-linear behaviour of adhesives in 

bonded assemblies. J. Cognard, 

R. Creac’hcadec, J. Maurice, L. Sohier, 

P. Davies 

10:20 447. Study of the deformation of a 

cantilever beam caused by an asymmetric 

liquid bridge. T. Chowdhury, 

A. Amirfazli, T. Tang 

10:40 448. Stress interference in double adhesive 

layer scarf and butt joints. 

E. Sancaktar,S.Teli 

11:00 449. Interlaminar stresses and adhesive 

layer stresses in single lap and 

socket tubular adhesively bonded joints 

with a delaminated composite adherend. 

R. A. Esmaeel, F. Taheri 

Section A 





A. Lee, Presiding 


8:35 450. Plasmachemical tailoring of solid 

surfaces. J. S. Badyal 

9:00 451. Interstitial mediated coupling of 

benzaldehyde on reduced TiO 2(110). 

S. Jensen, J. Haubrich, L. Benz 

9:25 452. UV and visible photoactivity of titania: 

Nature of reduced and doped TiO 2. 

G. Pacchioni 

9:50 453. Structural, compositional and 

electrochemical characterization of platinum-cobalt 

oxygen-reduction catalysts. 

S. Axnanda, K. D. Cummins, Z. Zhou, 

M. P. Soriaga, D. W. Goodman 

10:15 454. Carbon deposits on Pd catalysts 

modeled by nanoparticles. 

K. M. NEYMAN 

10:40 455. Adsorbate induced roughening 

in Si(100). C. M. Aldao, D. A. Mirabella 

11:05 456. Out of ultra high vacuum and into 

the real world. R. M. Lambert 

11:30 457. Selective amine acylation on metallic 

silver and gold single crystal surfaces. 

C. G. Freyschlag, B. Xu, L. Zhou, 

C. M. Friend, R. J. Madix 

11:55 458. Synthesis and photobehavior of 

Titania thin-films prepared by anodic oxidation. 

S. Perathoner, G. Centi, 

C. Ampelli, R. Passalacqua 

Section B 


Alcott 



Applications 

Nanomaterials for Biomedicine 


A. Dragulescu-Andrasi, Presiding 

8:30 459. Switching blood coagulation on 

and off by gold nanorod excitation. 

S. H. Baxamusa, H. de Puig Guixe, 

M. Balcells, K. Hamad-Schifferli 

8:50 460. Light-activated amphiphiles for 

gene delivery. C. M. LaManna, H. Lusic, 

J. H. Feng, M. W. Grinstaff 

9:10 461. Second-order kinetic surface processes: 

A case study from surface hybridization. 

Y. Liu, R. Levicky 

9:30 462. Integrated microfluidic neurotransmitter-modified 

substrates. H. Cao, 

W. Liao, P. S. Weiss, A. M. Andrews 

9:50 463. Self assembly of TMAO at hydrophobic 

interfaces and its effect on protein 

adsorption: Insights from experiments 

and simulations. G. Anand, 

S. N. Jamadagni, S. Garde, G. Belfort 

10:10 464. Contrasting emulsions: 

Nanovectors for MRI. S. Chadel, 

V. Schmitt, F. Leal Calderon, C. Robic, 

M. Port 

10:30 465. Surface modification of tissueengineered 

cartilage grafts for enhanced 

osteochondral integration. 

A. Dragulescu-Andrasi, T. Wong, 

J. Song 

10:50 466. DNA oligonucleotide length controls 

the efficient assembly of DNA-based 

nanomaterials: Molecualr dynamics 

study. Y. G. Yingling, A. Singh 

11:10 467. Phthalocyanine nanoballs. 

K. Baek, R. Hota, G. Yun, Y. Kim, 

H. Jung, K. Park, E. Yoon, T. Joo, 

J. Kang, C. Park, S. Bae, W. Ahn, K. Kim 

11:30 468. Laser-induced rupture of infrared 

dye-doped liposomes. H. Suzuki, 

I. S. Lee, T. Sakai 

Section C 


Burroughs 


G. Meyer, L. Chen, Organizers 

B. Parkinson, O. Prezhdo, Presiding 

8:30 469. Third generation solar photon 

conversion to electricity and fuel: Multiple 

exciton generation in colloidal quantum 

dots, quantum dot arrays, and solar sells. 

A. J. Nozik, M. C. Hanna, M. C. Beard, 

J. E. Luther, J. Gao 

9:00 470. Electron transfer at quantum dot- 

TiO 2 interfaces prepared by linker-assisted 

assembly. R. S. Dibbell, 

J. S. Nevins, D. G. Youker, 

K. M. Coughlin, D. F. Watson 

9:25 471. Electrochemical and photoelectrochemical 

investigations of outersphere 

redox shuttles in dye-sensitized solar 

cells. T. Hamann, J. Ondersma, B. Klahr 

9:50 472. New heteroleptic Ru(II) and Os(II) 

sensitizers for dye-sensitized solar cells 

based on titania materials. 

F. N. Castellano 


10:30 473. Quantum dot sensitization of single 

crystal TiO 2 electrodes: Surface 

chemistry, stability, and collection of multiple 

electrons per photon. J. Sambur, 

B. A. Parkinson 

10:55 474. Time-domain ab initio studies of 

quantum dots and molecule-bulk interfaces 

for solar energy harvesting. 

O. Prezhdo 

11:20 475. Relaxation of exciton confinement 

in CdSe quantum dots by modification 

with a conjugated dithiocarbamate ligand. 

E. A. Weiss, M. T. Frederick 

11:45 476. Charge carrier resolved relaxation 

of the first excitonic state in CdSe 

quantum dots probed with near-infrared 

transient absorption spectroscopy. 

E. A. McArthur, A. J. Morris-Cohen, 

K. E. Knowles, E. A. Weiss 

12:00 477. Size-dependent molecular order 

of n-octylphosphonate ligands on CdSe 

quantum dots probed by vibrational sum 

frequency generation. J. L. Achtyl, 

M. T. Frederick, E. A. Weiss, F. M. Geiger 


Section A 





F. Williams, K. Wilson, Presiding 


1:35 478. Electrochemical and spectroscopic 

investigations of enantioselectivity 

at platinum surfaces. G. A. Attard 

2:00 479. Heterogeneous asymmetric C�C 

hydrogenation: Critical influence of the 

hydrogenation substrate. 

S. K. Beaumont, G. Kyriakou, 

D. J. Watson, R. B. Jesudason, 

O. P. Vaughan, A. Papageorgiou, 

J. W. Burton, R. M. Lambert 

2:25 480. Design of selective catalysts with 

well-defined shapes. I. Lee, F. Delbecq, 

F. Zaera 

2:50 481. Molecular rotors, motors, and 

chirality. C. Sykes 

3:15 482. Enantioselective explosions on 

chiral surfaces. A. J. Gellman 

3:40 483. Understanding the surface chemistry 

of enantioselective �-ketoester hydrogenation 

reactions over amino acidmodified 

Ni catalysts. K. E. Wilson, 

A. G. Trant, C. J. Baddeley 

4:00 484. Assembly of functionalized molecular 

networks at surfaces. 

C. J. Baddeley, H. A. Fruchtl, 

J. Greenwood, S. Jensen, T. E. Jones 

4:25 485. Surface modification of poly(dimethylsiloxane) 

with perfluorinated alkoxysilanes: 

Zeta potential and the adsorption 

of perfluoro-tagged proteins and 

peptides. H. Horton 

Section B 


Alcott 



Applications 

Applications of Polymer Based 

Nanostructures 


1:30 486. Nano-patterned brushes with selective 

protein and cell adhesion. S. Gon, 

M. M. Santore 

1:50 487. Fluorescent nanoscale assemblies 

of anionic poly(phenylene vinylene) with 

lipid vesicles and silica beads. A. T. Ngo, 

P. Karam, K. L. Lau, M. Burger, 

J. Quesnel, R. Aboukhalil, G. Cosa 

2:10 488. Real-time analysis of RSV RNAprotein 

interactions at the single RNA 

molecule level. L. R. Skewis,C.Zack, 

R. Djang, R. Fearns, B. M. Reinhard 

2:30 489. Dynamics of surface bound nucleic 

acids: Capturing DNA in motion. 

K. Williams 

2:50 490. Protein adsorption resistance of 

thermoresponsive PEG-co-PNIPAm microgels. 

T. Trongsatitkul, B. Budhlall 

3:10 491. Development of a nucleic acid 

vector based on noncovalent assembly of 

bioresponsive amino-b-cyclodextrin: 

poly(ethylene glycol)-poly(vinyl alcohol)adamantanate 

complexes. W. Deng, 

K. Aditya, E. Trisha, D. H. Thompson 


supramolecular assembly of PEGylated 

and electropolymerizable Janus type 

dendrimers. M. L. Felipe, R. Pernites, 

R. Advincula 

3:50 493. Preparation and characterization 

of polymer brushes via electrochemistry 

and surface-initiated RAFT polymerization 

for biomedical applications. 

M. R. Tria,R.C.Advincula 

4:10 494. Alkyl passivation and amphiphilic 

polymer coating of silicon nanocrystals 

for diagnostic imaging. C. M. Hessel, 

M. Rasch, J. L. Hueso, 

P. Puvanakrishnan, J. W. Tunnel, 

B. A. Korgel 

4:30 495. Nanoscale amphiphilic macromolecules 

to biostabilize white-light emitting 

CdSe nanocrystals. S. M. Sparks, 

M. A. Schreuder, F. R. Haselton, 

S. J. Rosenthal, K. E. Uhrich 

Section D 


Carlton 


Dental and Medical Adhesion 

V. S. Gutowski, H. Dodluk-Kenlg, 


S. Neogi, Presiding 

1:30 496. Adhesion aspects in dentistry: 

Resin zirconia bonding. J. P. Matinlinna 

2:10 497. Controlling biomaterial-tissue interfacial 

interactions for implantable device 

performance. A. J. Coury 

2:40 498. Piezoelectric inkjet printing of 

medical adhesives and sealants. 

R. J. Narayan, A. Doraiswamy, 

T. M. Dunaway, J. J. Wilker, R. Crombez, 

W. Shen, Y. Lee 

3:00 499. Bacterial surface properties and 

adhesion and transport. G. Chen 

3:20 500. Enhanced cell adhesion and 

transfection on the nanostructured surfaces. 

P. Chen 

3:40 501. Evaluation of biocompatibility and 

blood compatibility of polycarbonate 

treated with argon plasma. N. gomathi, 

S. Neogi 

4:00 502. Effect of surface mechanics on 

cell function and dynamics. 

M. Rafailovich, Z. Pan, Y. Liu, K. Ghosh, 

M. Simon, V. Jurukovsky, R. Clark, 

G. Prestwich 

4:20 503. Study of primer systems for adhesion 

to dentin. J. M. Antonucci, 

G. E. Schumacher 





COLL 

TECH–39

COLL/COMP TECHNICAL PROGRAM 

Section C 


Burroughs 


G. Meyer, L. Chen, Organizers 

D. Guldi, S. Marder, Presiding 

2:00 504. Electronic and geometric structure 

of conducting oxide/organic interfaces 

in organic solar cells. J. Bredas 

2:30 505. Applications of rylene diimide 

containing materials for organic solar cell 

applications. Z. An, S. Barlow, 

T. M. Clarke, B. Domercq, J. R. Durrant, 

C. Huang, B. Kippelen, Y. Li, S. Shoaee, 

Z. Tan, X. Wang, X. Zhan, X. Zhang, 

E. Zhou, S. R. Marder 

2:55 506. Structure-function-property relationships 

in Diketopyrrolopyrrole-based 

materials for solar cell applications. 

T. Nguyen,X.Dang,C.Kim 


3:35 507. Nanoscale carbon materials for 

solar energy conversion. D. Guldi 

4:00 508. Hybrid solar cells based on 

poly(3-hexylthiophene) and colloidally 

prepared semiconductor nanocrystals. 

H. Borchert, N. Radychev, F. Witt, 

M. Kruszynska, I. Lokteva, 

J. Kolny-Olesiak, J. Parisi 

4:25 509. Spectra and level widths for ultrafast 

photoinduced heterogeneous electron 

transfer (PHET) at room temperature 

and very low temperature. L. Gundlach, 

V. May, F. Willig 

4:50 510. Photoelectrochemical complexes 

for solar energy conversion that chemically 

and autonomously regenerate. 

A. A. Boghossian,M.Ham,J.Choi, 

M. S. Strano 

COMP 

Division of Computers in 

Chemistry 

E. X. Esposito and J. D. Madura, 



Section B 


Room 156B 

Proteins 


V. Somisetti, Presiding 

8:30 1. Probing the �-helical structural stability 

of stapled p53 peptides: Molecular 

dynamics simulations and analysis. 

Z. Guo, U. Mohanty, J. Noehre, 

T. Sawyer, W. Sherman, G. Krilov 

9:00 2. Density functional theory calculations 

on matrix metalloproteinases and 

inhibitors. M. A. Ferron, N. Dimakis, 

R. Castillo, I. Leal, R. Espinoza, 

N. Navarro 

9:30 3. Efficient data mining of the human 

kinome. J. Maier 


10:15 4. Methemoglobinemia caused by 

8-aminoquinoline drugs: DFT calculations 

suggest an analogy to H4B’s role in nitric 

oxide synthase. H. Liu, L. A. Walker, 

N. Nanayakara, R. J. Doerksen 

10:45 5. Evaluation and ranking of enzyme 

designs. G. Kiss, D. Rothlisberger, 

D. Baker, K. N. Houk 

40–TECH 


11:15 6. Thermodynamic contributions to 

PDZ binding affinities: A theoretical and 

experimental case study. L. Vogt, 

E. Karp, A. Aspuru-Guzik, G. MacBeath 

Section C 


Room 157A 

Colloids: Gels, Sols, and Emulsions. You 

Know...Goo 


K. Armacost, Presiding 

8:30 7. Aggregation dynamics of partially 

sticky and structured colloidal spheres 

under shear stresses. M. C. Hagy, 

A. V. Popov, R. Hernandez 

9:00 8. Molecular simulations of electric field 

effects in condensed phase systems. 

A. Luzar, C. Daub, D. Bratko 

9:30 9. Theories of molecular fluids confined 

in disordered porous materials. 

L. Sarkisov 


10:15 10. Self-consistent treatment of polarization 

in condensed-phase QM/MM calculations. 

L. D. Jacobson, C. F. Williams, 

J. M. Herbert 

10:45 11. Developed the potential function 

of electrostatic interactions for quadrupolar 

fluid on the basis of consider the 

atomic charges as variables values for 

calculation of structure and thermodynamic 

properties by RISM. 

S. V. Keshtova, F. Keshtova 

11:15 12. Brownian motion in nonequilibrium 

colloidal suspensions: Dynamics of 

a stationary solution and swelling colloids. 


Section D 


Room 157C 




Y. Martin, Organizer 

T. Stouch, Organizer, Presiding 

8:30 13. Tautomerism in chemical information 

management systems. W. A. Warr 

9:00 14. Tautomerism in large databases. 

M. Sitzmann, W. Ihlenfeldt, 

M. C. Nicklaus 

9:30 15. Tautomerism in drug discovery. 

B. M. El-Gendy, A. R. Katritzky, C. Hall, 

B. Draghici 


10:15 16. Quantitative forecasts of biological 

potency of molecules that can tautomerize. 

Y. C. Martin 

10:45 17. New questions about tautomerism 

in cytosine: Quantum chemical and matrix 

isolation spectroscopic studies. 

G. Fogarasi, G. Bazso, P. G. Szalay, 

G. Tarczay 

Section E 


Room 157B 

Methodology for Small Systems 


V. Pakkala, Presiding 

8:30 18. Muonic molecules control in intense 

laser field. Q. Wang 

9:00 19. Exploring the free energy landscapes 

of chemical reactions. B. Ensing 

9:30 20. Three-body interactions in condensed 

phases of helium. R. J. Hinde 


10:15 21. Activation of the CO bond in CO 2 

by Ta and Nb mono and dications. 

E. Hull, T. Windus 

10:45 22. Chemical potential from particle 

removal and insertion: Upper and lower 

bounds and accurate estimates from 

computer simulations. J. C. Rasaiah, 

G. Feng, G. Hummer 

Section F 


Room 154 

Drug Discovery 

Strike a Pose! But no Vogue-ing Please 

S. Wildman, Y. Tseng, Organizers 

Z. Yang, Presiding 

8:30 23. DOCK Blaster: Automatic docking 

with self-asessment. J. J. Irwin, 

B. K. Shoichet, K. T. Nguyen, 

M. M. Mysinger 

9:00 24. Key directions of mastering docking 

and scoring approaches. G. Chilov, 

O. Stroganov, F. Novikov, V. Stroylov, 

V. Kulkov 

9:30 25. How eHiTS solves the docking and 

scoring problems. Z. Zsoldos, O. Ravitz 


10:15 26. Combining atom-based and residue-based 

scoring functions in proteinprotein 

docking. T. Vreven, H. Hwang, 

Z. Weng 

10:45 27. SHAPEFIT: Pose prediction with 

shape and chemistry. B. P. Kelley, 

S. P. Brown 

11:15 28. Efficient protein-ligand docking including 

full receptor flexibility. I. Antes 

Section G 


Room 153C 

Novel Is So Passé Just Say NEW Methods 


S. Kim, Presiding 

8:30 29. (kSP) fluctuating charge method 

based on the consider polarization effects 

and anisotropy steric van der Waals 

radiuses of atoms in molecule. 

F. Keshtova, S. V. Keshtova 

9:00 30. Acidity constants and solvation 

structures of amino acids via DFTMD. 

M. Mangold, L. Rolland, F. Costanzo, 

M. Sprik, M. Sulpizi, J. Blumberger 

9:30 31. Variational formulation of the polarizable 

continuum model. G. Scalmani, 

F. Lipparini, B. Mennucci, E. Cances, 

M. Caricato, M. J. Frisch 

10:00 32. Going beyond the Frozen Core 

Approximation with a coordinate-dependent 

pseudopotential. A. Kahros, 

B. J. Schwartz 


10:45 33. Coupled cluster calculations in 

solution with the polarizable continuum 

model of solvation. M. Caricato, 

G. W. Trucks, M. J. Frisch 

11:15 34. Modeling molecular charge density 

with Gaussian multipoles. 

D. M. Elking, L. Perera, R. Duke, 

L. G. Pedersen 

11:45 35. Dispersion in combined ab initio/ 

effective fragment potential systems. 

T. Smith, L. Slipchenko, M. S. Gordon 

Section A 


Room 156C 

Frontiers of Condensed Phase Theory and 

Simulation: A Tribute to Bruce J. Berne 

Molecular Dynamics and Monte Carlo- 

Models and Algorithms Cosponsored by 

PHYS 

G. Voth, J. Straub, Organizers 

M. Tuckerman, Organizer, Presiding 

9:00 36. Statistical mechanical basis of 

coarse graining. A. Das, H. C. Andersen 

9:30 37. Well tempered-ensemble. 

M. Parrinello 

10:00 38. Molecular simulation: Five decades 

and counting. M. L. Klein 


10:45 39. Chemical dynamics at metal surfaces: 

The role of electronic excitations. 

N. Shenvi, S. Roy, J. Tully 

11:15 40. Coupling Quantum Monte Carlo 

for electrons with Monte Carlo for Ions. 

D. Ceperley 

11:45 41. Novel molecular dynamics based 

techniques for enhancing conformational 

sampling in systems described by rough 

energy landscapes. M. E. Tuckerman 

Chemical Computations on General 

Purpose Graphics Processing Units (GP- 

GPUs) 

GPU Computing in Chemistry Sponsored by 

PHYS, Cosponsored by COMP 


RDF & Computation Sponsored by CINF, 



Section A 


Room 156C 



Hydrophobic Effect and Solvation 

Phenomena Cosponsored by PHYS 

G. Voth, J. Straub, M. Tuckerman, 

Organizers 

P. Rossky, Presiding 

1:30 42. Hard and soft interfaces of water. 

D. Chandler 

2:00 43. Effects of molecular-scale density 

fluctuations and surface roughness on 

hydrophobic hydration. J. Mittal, 

G. Hummer 

2:30 44. Excited state dynamics of conjugated 

polymers. P. J. Rossky 


3:15 45. Local molecular field analysis of hydrogen 

bonding patterns for water at hydrophilic 

and hydrophobic silica surfaces. 

R. C. Remsing, J. D. Weeks 

3:45 46. From water structure and fluctuations 

to hydrophobicity of proteins and 

interfaces. S. Garde 

4:15 47. Statistical thermodynamics of real 

liquids: Molecular quasi-chemical theory 

applied to liquid water. L. R. Pratt 

Section B 


Room 156B 

Proteins 


H. Liu, Presiding 

1:30 48. Investigating molecular mechanisms 

of specificity in regulation of the 

HER2 and HER4 tyrosine kinases. 

S. E. Telesco, R. Vadigepalli, 

R. Radhakrishnan 

2:00 49. Riboswitches in motion: Computational 

and experimental approaches. 

P. M. Petrone, A. Pomerantz, 

J. Dewhurst, R. Tommasi, L. Whitehead 

2:30 50. Differential dynamics coupling of 

plexin GTPase complexes in MD Simulations. 

L. Zhang, M. Buck 






consent from ACS.

3:00 51. Computational study of the ammonium 

transport mechanism in AmtB: NH 3 

permeation vs. NH 3/H � Co-transport. 

S. Wang, G. Lamoureux 


3:45 52. Atomistic perspective of metabolite 

specificity in the SAM-II riboswitch. 

J. M. Kelley, D. Hamelberg 

4:15 53. Linear interaction energy method 

for the prediction of protein stability 

changes upon mutation. L. Wickstrom, 

E. Gallicchio, R. Levy 

4:45 54. Molecular mechanics and the evolution 

of enzyme activity. M. K. Singh, 

A. R. Brice, C. Stanton, B. N. Dominy 

Section C 


Room 157A 


HPC on the Cheap Cosponsored by CINF 



1:35 55. FPGA implementation of cheminformatics 

and computational chemistry 

algorithms and its cost/performance 

comparison with GPGPU, cloud computing 

and SIMD implementations. 

A. Berces, B. Feher, P. Szanto, 

I. Pechan, L. Lajko, Z. Runyo, P. Laczko, 

J. Lazanyi 

2:05 56. Technologies for desktop HPC: Application 

developer’s perspective. 

V. Kindratenko,G.Shi 

2:35 57. Faster, cheaper, and better science: 

Molecular modeling on GPUs. 

J. E. Stone 

3:05 58. Folding@home: Petaflops on the 

cheap today, exaflops soon? V. Pande 


3:50 59. Protein-ligand docking on the 

Cell/BE processor with eHiTS Lightning. 

Z. Zsoldos, O. Ravitz 

4:20 60. Fragment-based druggable hot 

spot identification in proteins and proteinprotein 

interactions using HPC. 

G. Chuang, R. Brenke, D. R. Hall, 

D. Beglov, D. Kozakov,S.Vajda 

4:50 61. GPUs: What is all the fuss about? 

B. Cole, B. Tolbert, A. Nicholls 

Section D 


Room 157C 

The PDB and Chemistry 

T. Stouch, Organizer, Presiding 

1:30 62. wwPDB: An organization that provides 

macromolecular structural data to 

the global community. H. M. Berman, 

G. J. Kleywegt, H. Nakamura, 

J. L. Markley 

2:00 63. wwPDB common annotation and 

deposition tool project. M. Quesada, 

J. Westbrook, T. Oldfield, J. Young, 

J. Swaminathan, Z. Feng, S. Velankar, 

M. Zhuravleva, G. Sahni, C. Shao, 

T. Matsuura, E. Ulrich, S. Madding 

2:30 64. Small molecule resources and 

search tools at the PDB. 

D. Dimitropoulos, J. Westbrook 

3:00 65. Remediation of PDB entries containing 

molecules with antibiotic and inhibitory 

pharmacological properties. 

M. Hirshberg, S. Dutta, K. Henrick 


3:45 66. Synergies of the PDB and the CSD. 

T. S. Olsson, J. C. Cole, S. Bowden, 

C. R. Groom 

4:15 67. Iridium: Prepping PDB data for use 

in computation chemistry software development. 

G. L. Warren,T.Do, 

S. D. Warren 

4:45 68. Challenges in positioning, validation, 

annotation and visualization of 

chemical compounds bound to proteins. 

R. Abagyan 

Section E 


Room 157B 


Docking 


P. Mukherjee, Presiding 

1:30 69. Understanding of drug-target interactions 

and substrate binding to neuraminidase 

of influenza A virus subtypes 

H5N1 and H1N1-2009. M. Malaisree, 

T. Rungrotmongkol, N. Nantaboot, 

A. Mulholland, S. Hannongbua 

2:00 70. Structure-based lead optimization 

of small molecule Aurora A and CDK1 inhibitors. 

D. Wang, L. Zhang, 

J. l. Brazidec, L. Silvian, D. Marcotte, 

J. Fan, J. Chong, M. Teng, S. Zhao, 

K. Nguyen, A. Pasis, B. Tam, C. Boykin, 

G. Claassen, K. Lundgren, J. Chao, 

A. Lugovskoy 

2:30 71. Structure-based drug design of inhibitors 

of TNF-� converting enzyme 

(TACE). Z. Guo 


3:15 72. Evaluation of DOCK6 for pose prediction 

and enrichment. S. Mukherjee, 

T. E. Balius, R. C. Rizzo 

3:45 73. Binding of the macrocyclic noncovalent 

inhibitor TMC435 to its HCV NS3/ 

NS4A protease target. M. D. Cummings, 

J. Lindberg, T. Lin, H. de Kock, O. Lenz, 

E. Lilja, S. Fellander, V. Baraznenok, 

S. Nystrom, M. Nilsson, L. Vrang, 

M. Edlund, A. Rosenquist, 

B. Samuelsson, P. Raboisson, K. Simmen 

4:15 74. Molecular modeling of the aryl hydrocarbon 

receptor and its interaction 

with ligands. A. S. Jogalekar, S. Reiling, 

R. J. Vaz 

4:45 75. Methodological advancements to 

improve the accuracy of induced-fit 

docking. Z. Zhou, R. Farid, W. Sherman 

Section F 


Room 154 


Theory and Methods Cosponsored by CINF 

and MEDI 

V. Shanmugasundaram, Organizer 

W. Sherman, Organizer, Presiding 

1:30 Introductory Remarks - Woody Sherman 

1:35 76. Water in protein binding sites: Consequences 

for ligand optimization. 

J. Michel, J. Tirado-Rives, J. Luccarelli, 


2:15 77. Efficient method for computing the 

free energies of active site waters: Application 

to drug discovery. J. Zou, 

S. Meshkat, Z. Konteatis, A. Klon, 

C. H. Reynolds 

2:45 78. Using explicit solvent implicitly. 

C. J. Fennell, C. W. Kehoe, K. A. Dill 

3:15 Coffee Break 

3:30 79. Role of solvent in protein-ligand 

binding. R. Abel, N. Salam, T. Beuming, 

W. Sherman, R. Farid 

4:00 80. Compute the contribution of protein-pocket 

solvation to ligand-binding 

affinity by explicit water simulations. 

M. Hao, I. Muegge 

4:30 81. All-atom explicit-solvent fragmentbased 

drug discovery: SILCS (“Site Identification 

by Ligand Competitive Saturation”) 

molecular dynamics simulations 

applied to IL-2. O. Guvench 

Section G 


Room 153C 

We Were Promised Jet Packs. They Found 

Out About These on the Way 


Z. Cournia, Presiding 

1:30 82. Past, present, and future of 

semiempirical methods. J. J. Stewart 

2:00 83. Monte Carlo study of the axial nextnearest-neighbor 

Ising model and other 

microphase forming systems. K. Zhang, 

P. Charbonneau 

2:30 84. B2GP-PLYP and friends: Robust, 

generally applicable, double-hybrid functionals 

for thermochemistry, thermochemical 

kinetics, and weak interactions. 

J. M. Martin 

3:00 85. Exploring formation, spectroscopy, 

and outcome of disulfide radical anions 

by QM/MM approaches: Insights into a 

molecular rheostat. E. Dumont, 

A. D. Laurent, P. Loos, X. Assfeld 


3:45 86. Accelerating self-consistent field 

convergence with the augmented 

Roothaan–Hall energy function. X. Hu, 

W. Yang 

4:15 87. Computer algorithm development 

for modeling of biological macromolecules. 

D. Janezic 

4:45 88. Common catalytic features among 

cofactor independent racemases and 

epimerases: A computational perspective. 

M. Stenta, P. Altoè, M. Dal Peraro, 

M. Garavelli, A. Bottoni 



GPUs) 

Molecular Dynamics on GPUs Sponsored by 


Data-intensive Drug Design Sponsored by 

CINF, Cosponsored by COMP 


Section A 


Room 156C 



Quantum Effects in Thermodynamics and 

Dynamics Cosponsored by PHYS 


Organizers 

J. Cao, Presiding 

8:30 89. Signature of quantum coherent effects. 

J. Cao 

9:00 90. Quantum dynamics of excitation 

energy transfer in nanostructured environments. 

D. F. Coker, P. Huo, T. Rivera, 

D. Montemayor 

9:30 91. Can impact excitation explain carrier 

multiplication in carbon nanotube 

photodiodes? E. Rabani 


10:15 92. Electronically non-adiabatic dynamics 

via semiclassical initial value 

methods. W. H. Miller 

10:45 93. Very accurate semiclassical surface 

hopping calculations. M. F. Herman 

11:15 94. Chemical reaction rates from ring 

polymer molecular dynamics. 

D. E. Manolopoulos 

Section B 


Room 156B 

An Emerging Challenge in Multiscale 

Modeling and Simulation: Mechanistic 

Understandings 

Multiscale Simulation Methods 

H. Guo, Organizer 

J. Chu, Organizer, Presiding 

8:30 95. Multiscale models from molecules 

to life. Y. N. Kaznessis 

9:00 96. Many-scale and multi-scale modeling 

in computational nanoscience. 

P. T. Cummings 

9:30 97. Coarse-grained and multiscale 

models of bulk liquids and macromolecules. 

T. Head-Gordon 


10:15 98. Examining methods for general 

multi-scale modeling using CHARMM. 

B. R. Brooks 

10:45 99. ErbB receptor mediated oncogenic 

signaling: Molecular systems biology 

through multiscale modeling and 

high-performance computing. 

R. Radhakrishnan 

11:15 100. Coarse grained molecular dynamics 

of biological and soft matter systems. 

R. H. DeVane, W. Shinoda, 

M. L. Klein 

Section D 


Room 157C 


Predictions of Tautomer Ratios 


T. Stouch, Organizer 

Y. Martin, Organizer, Presiding 

8:30 101. Predicting tautomer preference: 

Simple rules and unforeseen complexities. 

P. W. Kenny, P. J. Taylor 

9:00 102. Methods for robust and efficient 

tautomer enumeration, tautomer searching 

and tautomer duplicate filtering. 

J. Szegezdi, Z. Mohácsi, T. Csizmazia, 

S. Dóránt, &. Papp, G. Pirok, 

S. Csepregi, F. Csizmadia 

9:30 103. Tautomerization approach for 

drug-like molecules. J. C. Shelley, 

A. P. Sullivan, D. Calkins, 

J. R. Greenwood 


10:15 104. Acid/base ionization vs. prototropic 

tautomerism. R. Fraczkiewicz, 

M. Waldman, R. D. Clark, W. S. Woltosz, 

M. B. Bolger 

10:45 105. Combinatorial-computationalchemoinformatics 

approach to finding 

and analyzing low-energy tautomers. 

M. Haranczyk, M. Gutowski 

11:15 106. Comparison of pattern-based 

and algorithm-based approaches to tautomer 

informatics. B. Ellingson, 

R. Tolbert, A. Skillman 





COMP 

TECH–41

COMP TECHNICAL PROGRAM 

Section F 


Room 154 


High Throughput Screening: Robots Ruling 

the Plates 


S. Natesan, Presiding 

8:30 107. Sticking to kinases: Scaffold selectivity 

and implications for focused library 

design. S. L. Posy, S. R. Johnson, 

D. Loughney, M. Hermsmeier, 

W. Vaccaro, G. Trainor, K. Ott 

9:00 108. Novel classification of proteases 

in the peptide substrate space reveals 

cross-family substrate similarities with 

applications to lead discovery. 

S. K. Sukuru, F. Nigsch, J. Quancard, 

M. Renatus, R. Chopra, N. Brooijmans, 

D. Mikhailov, Z. Deng, A. Cornett, 

J. L. Jenkins, U. Hommel, J. W. Davies, 

M. Glick 

9:30 109. Profile-QSAR and surrogate autoshim: 

Utilizing chemogenomic relationships 

for drug discovery applications. 

P. Mukherjee, E. Martin 


10:15 110. Introduction of an interpretation 

layer to link unsupervised and supervised 

methods for classification of chemicals in 

biological effects space. J. Rathman, 

C. Yang 

10:45 111. Creating reaction schemes to 

generate an arbitrary number of linked 

and conjugated polymers. 

R. Olivares-Amaya, S. Atahan, 

A. Aspuru-Guzik, C. A. Bedolla 

Section G 


Room 153C 

Waters: Feisty Little Molecules 


K. Immadisetty, Presiding 

8:30 112. Quantitative rate calculations from 

simulations: The Ru 2� -Ru 3� electron 

self-exchange reaction in water. 

H. Oberhofer, J. Blumberger 

9:00 113. “On water” reactivity and solvent 

effects for Claisen rearrangements from 

QM/MM simulations. O. Acevedo, 

K. Armacost 

9:30 114. Effect of hydrogen bonding on the 

dynamical stability of water clusters. 

J. R. Green, T. S. Hofer, D. J. Wales 


10:15 115. DFT geometry optimization and 

vibrational frequencies of the quaternary 

ammonium cation-water [N (CH 3) 4 � OH - / 

(H 2O) n] clusters. D. Kumari, 

E. S. Smotkin, N. Dimakis 

10:45 116. Computational study of vibrational 

spectra of some water containing 

complexes of atmospheric interest. 

E. Sälli, T. Salmi, L. Halonen 

11:15 117. Using a vibrational averaging 

technique to understand the role of water 

dimers in atmospheric absorption. 

R. E. Kelly, M. J. Barber, J. Tennyson, 

G. C. Groenenboom, A. van der Avoird 

Section C 


Room 157A 

Challenges in Industrial Computational 

Methods 

42–TECH 

A. Nicholls, E. Sourial, Organizers 

C. Lemmen, C. Groom, Presiding 


9:00 118. Modeling for the masses: The philosphers’ 

stone of CAMD software. 

A. C. Good 

10:00 119. Lightning-fast 3D-shape and feature-based 

virtual screening. C. Lemmen 

Section E 


Room 157B 



Cosponsored by BIOL, CINF, and MEDI 

H. Carlson, Organizer, Presiding 


9:05 120. Community structure-activity resource: 

Collecting, curating, and generating 

protein-ligand data to improve docking 

and scoring. J. B. Dunbar, 

H. A. Carlson 

9:35 121. Results of CSAR’s 2010 Benchmark 

Exercise. J. B. Dunbar, R. D. Smith, 

H. A. Carlson 

10:05 122. Scoring performance of eHiTS 

on the CSAR dataset. Z. Zsoldos, 

O. Ravitz 


10:50 123. Hydrophobic complementarity: A 

dominant term in affinity and binding 

mode prediction. L. A. Kuhn, 

M. E. Tonero 

11:20 124. Docking and scoring for 2010 

CSAR benchmark using an improved iterative 

knowledge-based scoring function 

with MDock. S. Huang, X. Zou 



GPUs) 

Electronic Structure Calculations on GPUs 

Sponsored by PHYS, Cosponsored by COMP 


OWL Chemical Ontologies Sponsored by 

CINF, Cosponsored by COMP 



Sponsored by CINF, Cosponsored by COMP 


Section A 


Room 156C 



Thermodynamics and Dynamics of 

Complex Systems Cosponsored by PHYS 


Organizers 

R. Silbey, Presiding 

1:30 125. Quantum glass. D. Reichman 

2:00 126. Energy transfer, coherence, and 

decoherence in molecular aggregates. 

R. J. Silbey 

2:30 127. Local solvent environment dependent 

electron transfer reactions in roomtemperature 

ionic-liquids. C. J. Margulis 


3:15 128. Crystallization of hard aspherical 

particles. A. Cacciuto 

3:45 129. Fluctuations and the second law 

of thermodynamics: What do we know 

that Maxwell, Boltzmann and Gibbs did 

not know? C. Jarzynski 

4:15 130. Microscopic kinetic model exhibiting 

chiral symmetry breaking. 

F. H. Stillinger 

Section B 


Room 156B 




New Developments in Coarse-grain Theory 

H. Guo, J. Chu, Organizers 

M. Hagan, Presiding 

1:30 131. Getting the right answer for the 

right reason: Accurate and transferable 

coarse-grained models from structural information. 

W. G. Noid, W. Mullinax 

2:00 132. Improved lattice models of the hydrophobic 

effect. P. Varilly, A. J. Patel, 

D. Chandler 

2:30 133. Dissecting force interactions between 

cellulose and ionic liquids by using 

the iterative-YGB method. H. Cho,J.Chu 


3:15 134. Fluctuations, slow dynamics, and 

ordering across length and time scales in 

nanoparticle self-assembly. 

P. L. Geissler, M. Gruenwald, 

A. Widmer-Cooper 

3:45 135. Generalized mean field theory of 

coarse-graining. V. Krishna, L. Larini 

4:15 136. Statistics in multiresolution modeling: 

An application of Bayesian interference 

in multiscale coarse-graining. P. Liu 

Section C 


Room 157A 


Methods 



1:30 137. Risk assessment of chemicals and 

prediction of metabolism. J. Gasteiger, 

T. Kleinoeder, J. Marucszyk, 

C. H. Schwab, A. Tarkhov, L. Terfloth 

2:30 138. Considering protein structural 

variations in molecular docking: Ensemble 

docking with GOLD. J. Cole, 

C. Groom 

Section D 


Room 157C 




W. Jorgensen, Organizer, Presiding 


1:40 139. Configurational entropy and mechanical 

stress in molecular recognition. 

M. K. Gilson 

2:10 140. Advancing anthrax toxin countermeasures 

using topomeric searching and 

virtual screening methodologies. 

E. A. Amin, T. Chiu, D. J. Hook, 

M. A. Walters, B. C. Finzel, J. Solberg, 

S. Patil, T. W. Geders, S. Rangarajan, 

R. Francis, X. Zhang 

2:40 141. Model-free drug-like filters. 

O.Ursu,C.G.Bologa,T. I. Oprea 


3:25 142. Chemocentric informatics: Enabling 

bioactive compound discovery 

through structural hypothesis fusion. 

A. Tropsha 

3:55 143. Computers and drug discovery: 

From duds to $5B drugs. R. C. Glen 

4:25 144. Weighting and fusion methods for 

similarity-based virtual screening. 

P. Willett, S. Arif, J. Holliday, N. Malim, 

C. Mueller 

Section E 


Room 157B 




H. Carlson, Organizer 

J. Dunbar, Presiding 

1:30 145. Lead Finder in the CSAR scoring 

challenge. V. Stroylov, G. Chilov, 

O. Stroganov, F. Novikov, V. Kulkov 

2:00 146. Benchmark of solvated interaction 

energy (SIE) scoring function on the 

CSAR-2010 dataset. T. Sulea,Q.Cui, 

H. Hogues, C. R. Corbeil, E. O. Purisima 

2:30 147. Protonation states and scoring receptor-ligand 

poses: It’s always the details. 

E. X. Esposito 


3:15 148. Role of active-site solvent in protein-ligand 

binding affinity calculations. 

Y. Che, V. Shanmugasundaram 

3:45 149. Flexible docking using a stochastic 

rotamer library of ligands. F. Ding, 

S. Yin, N. V. Dokholyan 

4:15 150. Cheminformatics meets molecular 

mechanics: A combined application of 

knowledge based pose scoring and 

physical force field-based hit scoring 

functions improves the accuracy of virtual 

screening. J. Hsieh, S. Yin, X. S. Wang, 

S. Liu, N. V. Dokholyan, A. Tropsha 

Section F 


Room 154 




W. Sherman, Organizer 

V. Shanmugasundaram, Organizer, 

Presiding 

1:30 Introductory Remarks - Veer Shanmugasundaram 

1:35 151. Application of free energy methods 

to water molecules in protein binding 

sites. J. W. Essex, C. Barillari, 

M. Bodnarchuk, R. Viner 

2:15 152. Which waters are important and 

how do we identify them? S. Bowden, 

J. C. Cole, O. Korb, T. Olsson, 

J. Liebescheutz, C. Groom 

2:45 153. Free energies and entropies of 

water molecules at protein-ligand interfaces. 

S. W. Rick,H.Yu 


3:30 154. Role of water molecules in docking 

studies of Cytochromes P450. 

C. Oostenbrink 

4:00 155. Modeling explicit waters in docking 

and scoring. N. Huang 

4:30 156. Desolvation/resolvation: A revolving 

door that controls the rates of association/dissociation 

of protein-ligand complexes? 

Analysis of PCSK9-EGF-A 

binding kinetics using WaterMap. 

R. A. Pearlstein, Q. Hu, J. Zhou, 

D. Yowe, J. Levell, B. Dale, V. Kaushik, 

D. Daniels, S. Hanrahan, W. Sherman, 

R. Abel 






consent from ACS.

5:00 157. Biophysics-based library design: 

Discovery of “non-acid” inhibitors of S1 

DHFR. V. Shanmugasundaram, 

K. Borzilleri, J. Chang, B. Chrunyk, 

M. E. Flanagan, S. Han, M. Harris, 

B. Lacey, R. Miller, P. Sahasrabudhe, 

R. Sarver, H. Soutter, J. Withka 



GPUs) 

GPU Computing in Chemistry Sponsored by 



RDF/OWL Applications Sponsored by CINF, 



Section A 


Hall C 

Sci-Mix 


8:00–10:00 

233, 237, 242, 243, 249, 255, 256, 257, 266, 


listings. 


Section A 


Room 156C 



Force Field Development Cosponsored by 

PHYS 


Organizers 

H. Stern, Presiding 

8:30 158. WaterMap: A new approach to 

mapping water structure, energetics, and 

free energies of displacement by ligands 

in protein active sites. R. A. Friesner 

9:00 159. QM/MM simulations of organic 

and enzymatic reactions. 


9:30 160. Recent advances in the development 

of a polarizable force field for simulations 

of complex biomolecular systems. 

B. Roux, W. Jiang, D. Hardy, J. Phillips, 

A. D. MacKerell, K. Schulten, E. Harder, 

J. Chowdhary, X. Zhu, P. Lopes, J. Shim, 

C. Baker, H. Yu, A. Lau 


10:15 161. Estimating protein-ligand binding 

affinities using a fluctuating charge 

model. H. A. Stern 

10:45 162. Applications of variable timestep 

integrators and polarizable potentials in 

condensed phase simulations. 

S. J. Stuart 

11:15 163. Efficient methods for replica exchange 

and charge transfer models for 

liquid simulation. S. W. Rick,A.J.Lee 

Section B 


Room 156B 




Reaction Pathways of Biomolecules 

H. Guo, Organizer 

J. Chu, Organizer, Presiding 

8:30 164. Modeling co-translational folding 

of ribosome-nascent chain using AFM 

probe and computer simulations. 

X. Zeng, W. Lee, H. Zhou, V. Bennett, 

W. Yang, P. E. Marszalek 

9:00 165. Multi-scaled explorations of binding 

induced folding of intrinsically disordered 

protein inhibitor IA3 to its target enzyme. 

J. Wang 

9:30 166. Ligand binding, hinge strain, and 

local unfolding: Driving forces of conformational 

change in adenylate kinase. 

J. Brokaw 


10:15 167. Systematic identification of order 

parameters in biophysical systems. 

A. L. Ferguson, P. G. Debenedetti, 

I. G. Kevrekidis, A. Z. Panagiotopoulos 

10:45 168. Ab initio QM/MM minimum free 

energy path for simulating chemical reaction 

and redox processes in solution and 

in enzymes. W. Yang 

11:15 169. Development and application of 

the string method to characterize conformational 

transition pathways in complex 

biomolecular systems. B. Roux,W.Gan, 

L. Maragliano 

Section D 


Room 157C 



Complexes Cosponsored by CINF, MEDI, and 

PHYS 

T. Stouch, Organizer 

Y. Martin, Organizer, Presiding 

8:30 170. Computational evaluation of tautomers 

and zwitterions of D-amino acid 

oxidase (DAAO) inhibitors. S. Mente 

9:00 171. Defining states of ionization and 

tautomerization of thiamin diphosphate at 

individual reaction intermediates on enzymes: 

Enzymes that use a rare tautomeric 

form. F. Jordan, N. S. Nemeria, 

A. Balakrishnan, S. Paramasivam, 

T. Polenova 


9:45 172. Do tautomers matter in calculating 

molecular similarity? S. W. Muchmore, 

I. Haight, S. Brown 

10:15 173. Automated prediction of tautomeric 

states in protein-ligand complexes. 

S. Urbaczek, S. Bietz, M. Rarey 

Section E 


Room 157B 




H. Carlson, Organizer, Presiding 

8:30 174. Predicting relative binding affinities 

in the CSAR Scoring Challenge. 

M. P. Jacobson, C. Kalyanaraman 

9:00 175. Surflex: Docking and scoring on 

CSAR. A. N. Jain 

9:30 176. What we can learn from very large 

panel docking screens. K. T. Nguyen, 

J. J. Irwin, B. K. Shoichet, 

M. M. Mysinger 

10:00 Community Discussion: Evaluation 

Criteria 


10:45 177. Docking and scoring of fragments. 

M. L. Verdonk 

11:15 Community Discussion: Dataset 

Criteria 

Section F 


Room 154 


Using the Receptor Against Itself 


R. Baron, Presiding 

8:30 178. Dynamical investigation of autoinhibitory 

mechanism of AMP-activated 

protein kinase. C. Peng, T. Head-Gordon 

9:00 179. Accounting for ligand conformational 

restriction in calculations of protein-ligand 

binding affinities. H. A. Stern 

9:30 180. Assessment of factors determining 

successful potency prediction in lead 

optimization: A case study with dual Abl/ 

Src kinase inhibitors. A. Kohlmann, 

X. Zhu, T. Zhou, L. Commodore, L. Xue, 

Y. Wang, W. Huang, S. Liu, M. Thomas, 

Q. Xu, J. Keats, V. M. Rivera, 

C. A. Metcalf, T. K. Sawyer, T. Clackson, 

W. C. Shakespeare, D. C. Dalgarno 

10:00 181. Accelerated MD simulation study 

of the maltose-binding protein. 

D. Bucher,A.J.McCammon, 

P. Markwick, B. Grant 


10:45 182. Changes of human receptor 

binding affinity of H1N1 hemagglutinins: 

Insights from molecular dynamics simulation. 

N. Nunthaboot, T. Rungrotmongkol, 

M. Malaisree, N. Kaiyawet, P. Decha, 

P. Sompornpisut, Y. Poovorawan, 

S. Hannongbua 

11:15 183. Benchmark set for validating and 

testing free energy methods in molecular 

design. H. Paliwal, M. R. Shirts 

11:45 184. Reaction network analysis and 

the application of structure-based 

screening methods for the butanoate 

metabolic pathways. Q. Wang,D.Wu, 

R. Assary, L. J. Broadbelt, G. Krilov 

Section G 


Room 155 

Quantum Chemistry 


J. Sanders, Presiding 

8:30 185. Importance of solvent and dynamics 

on the dehydrogenation of ammonia 

borane. P. M. Zimmerman, Z. Zhang, 

C. B. Musgrave 

9:00 186. pKa predictions of some organic 

amine solvents. M. Elanany 

9:30 187. Simulated back proton transfer in 

3-Hydroxyflavone. Y. Tambouret, 

D. Coker 

10:00 188. Ab initio study of hydrogen 

bonding cooperativity in arylamide. 

J. A. Geer, J. Galan, Z. Liu, V. Pophristic 

Section C 


Room 157A 


Methods 



9:00 189. Drug discovery technology: The 

past, the present, and the future. 

C. Lipinski 

10:00 190. Generating novel compounds via 

rule-based molecular transformations. 

J. Leonard, A. Clark 


of Enzyme Activities Sponsored by BIOL, 

Cosponsored by COMP and POLY 


Section A 


Room 156C 



Reaction Rate Theory, Vibrational 

Relaxation, and Simulation Methods 

Cosponsored by PHYS 


Organizers 

J. Skinner, Presiding 

1:30 191. Vibrational spectroscopy of water 

and ice. J. Skinner 

2:00 192. Rates of reactions activated by 

non-Gaussian noise. H. Grabert, 

D. F. Urban 

2:30 193. Dynamics of photoinduced proton-coupled 

electron transfer reactions. 

S. Hammes-Schiffer 


3:15 194. Theory of rainbow scattering from 

surfaces. E. Pollak 

3:45 195. Heat transfer, heating and cooling 

in molecular conduction junctions. 

A. Nitzan 

4:15 196. Sorting out electrostatic polarization, 

dispersion, and hydrogen bonding in 

solvatochromic shifts. A. V. Marenich, 

C. J. Cramer, D. G. Truhlar 

Section B 


Room 156B 




Self-assembled Systems 


W. Noid, Presiding 

1:30 197. Multiscale simulation of membrane 

remodeling by proteins. G. A. Voth 

2:00 198. Self-limited self-assembly of chiral 

filaments. Y. Yang, R. Meyer, M. Hagan 

2:30 199. Combining theory, computation, 

and experiment for studying protein aggregation. 

R. V. Pappu 


3:15 200. Understanding the effect of cholesterol 

on the properties of membranes. 

B. Smit, F. de Meyer, J. M. Rodgers, 

A. Benjamini 

3:45 201. Capsid assembly around RNA and 

other polyelectrolytes: Multiple roles of 

the polymeric cargo. O. M. Elrad, 

M. Perkett, M. F. Hagan 

4:15 202. Intrinsic bending states of tubulin 

dimers and protofilaments. 

A. Grafmueller,G.A.Voth 

Section C 


Room 157A 

Challenges in Industrial 

Computational Methods 



1:30 203. Are the laws of chemistry and 

physics sufficient for the discovery of 

new drugs? G. Maggiora 

2:30 204. How should the world of molecular 

modeling be organized? Thoughts and 

speculations. A. Nicholls 

Section D 


Room 157C 

Insane in the Membrane 


S. Manepalli, Presiding 





COMP 

TECH–43


1:30 205. Peptide partitioning properties 

from direct water-to-membrane insertion 

studies. J. P. Ulmschneider 

2:00 206. Understanding interactions of propylene 

glycol and skin lipids using molecular 

dynamics simulation. J. Ghosh, 

B. Michniak-Kohn 

2:30 207. Conformational prediction of the 

HIV-1 gp41 membrane-spanning domain. 

V. K. Gangupomu,C.F.Abrams 

3:00 208. Computing dynamics, electrostatics 

and spectroscopy at membrane-water 

interfaces. J. D. Hirst, D. Robinson, 

N. A. Besley, P. O’Shea 


3:45 209. Lipid10: A comprehensive phospholipid 

force field for AMBER. 

R. C. Walker, A. Skjevik, K. Teigen 

4:15 210. Adaptive multiscale modeling of 

bilayer systems. P. B. Moore, V. Perez, 

S. O. Nielsen, B. Ensing 

4:45 211. Effect of spherical fullerenes on 

pulmonary lipid monolayers: Molecular 

dynamics simulations. S. O. Nielsen, 

C. Chiu, P. B. Moore, R. DeVane, 

M. L. Klein, W. Shinoda 

Section E 


Room 157B 

Docking & Scoring: What Have We Learned 

and Where Are We Now? 

Computational Approaches for Fragment 

Screening 

N. Nevins, G. Warren, Organizers 

G. McGaughey, Organizer, Presiding 

1:30 212. Fragment docking in BACE: Retrospective 

survey of loop sampling and 

docking. J. H. Voigt, P. Orth, Y. Wang, 

D. Wyss, S. Babu, J. Caldwell, 

S. Chackalamannil, X. Che, J. Cumming, 

M. Czarniecki, J. Duo, J. Durkin, H. Gu, 

T. Guo, R. Hunter, U. Iserloh, 

M. E. Kennedy, R. Kuvelkar, L. Thuy, 

V. Madison, R. D. Mazzola, 

B. A. McKittrick, T. Meng, J. Misiaszek, 

T. Nechuta, J. Pan, E. Parker, G. Qian, 

K. Saionz, M. Senior, E. M. Smith, Z. Sun, 

D. Tadesse, L. Wang, J. Wong, Y. Wu, 

Y. Xia, Y. Ye, J. Zhao, Z. Zhu, 

A. Stamford, W. Greenlee, C. Strickland 

2:00 213. Accurate pose prediction and improved 

structure-based virtual screening 

for fragments. W. Sherman 

2:30 214. Fragment screening paradigm for 

drug discovery. D. Joseph-McCarthy 


3:15 215. Fragment-based druggability 

measures in drug targets. D. R. Hall, 

C. Ngan, B. Zerbe, D. Kozakov, S. Vajda 

3:45 216. FragVLib: Fragment-based virtual 

screening library using geometric and 

chemical patterns of interactions at interface 

of ligand-receptor complex crystal 

structures. R. S. Khashan, W. Zheng 

Section F 


Room 154 


Hybrid Explicit/Implicit Methods 



W. Sherman, Organizer, Presiding 

1:30 Introductory Remarks - Woody Sherman 

1:35 217. Molecular dynamics studies of 

water-protein interactions. G. Hummer, 

J. C. Rasaiah, H. Yin, G. Feng 

44–TECH 


2:15 218. Addressing limitations with the 

MM-GB/SA scoring procedure using the 

WaterMap method and free-energy perturbation 

calculations. C. R. Guimaraes 

2:45 219. Prediction of potency of protease 

inhibitors by GBSA simulations with polarizable 

quantum mechanics-based ligand 

charges and a hybrid water model. 

D. Das, H. Mitsuya, Y. Koh, Y. Tojo, 

A. Ghosh 


3:30 220. Continuum theory and the analysis 

of active sites. A. Nicholls,M.Word 

4:00 221. Prediction of consistent water networks 

in uncomplexed protein binding 

sites based on knowledge-based potentials. 

M. Betz, G. Neudert, G. Klebe 

4:30 222. Explicit-water modeling of a 

model protein-ligand binding site predicts 

the non-classical hydrophobic effect. 

D. T. Moustakas,P.W.Snyder, 

W. Sherman, G. M. Whitesides 

5:00 223. New coarse-grained model for 

water: The importance of electrostatic interactions. 

Z. Wu, Q. Cui, A. Yethiraj 


Section A 


Room 156B 

Chemical Computing Group Excellence 

Award Financially supported by Chemical 

Computing Group, Inc 

C. Simmerling, Organizer 

6:00 224. Virtual screening targeting the 

PhoP response regulator to inhibit bacterial 

virulence. Y. T. Tang, E. A. Groisman, 

J. J. Havranek, G. R. Marshall 

6:20 225. Computational investigation of the 

transport mechanism for monoamine 

transporters. B. A. Merchant, 

J. D. Madura 

6:40 226. Quantum chemistry calculations 

for arbitrarily complex electrostatic environments: 

Benzene anion stabilization. 

R. Olivares-Amaya, M. Stopa, 

A. Aspuru-Guzik 

7:00 227. Biomolecular dynamics simulations 

based on the finite-difference Poisson-Boltzmann 

method. Q. Cai,X.Ye, 

J. Wang, M. Hsieh, R. Luo 

7:20 228. Filtering and ranking enzyme designs 

using EDGE. S. A. Johnson, 

K. N. Houk 

Section B 


Room 156B 

Hewlett-Packard Outstanding Junior 

Faculty Award Financially supported by 

Hewlett-Packard Development Company, L.P. 

C. Simmerling, Organizer 

6:00 229. Quantum information and quantum 

computation for chemistry. 


6:20 230. Excited-state quantum chemistry 

for macromolecules and condensed 

phases. J. M. Herbert 

6:40 231. Mimicking coarse-grained simulations 

without coarse-graining: Enhanced 

sampling by damping short-range interactions. 

F. Wang 

7:00 232. Information flow in biomolecules. 

A. van der Vaart 

Section C 


Room 052A/B 

Poster Session 


6:00–8:00 

233. Predicting the structure and the binding 

site of rimonabant for the cannabinoid 

CB1 receptor. C. E. Scott, R. Abrol, 

W. A. Goddard 

234. Theoretical studies of hydrogen spillover 

mechanism for developing next generation 

automobile catalyst: A quantum 

chemical molecular dynamics study. 

F. Ahmed, R. Muira, A. Suzuki, H. Tsuboi, 

N. Hatakeyama, A. Endou, H. Takaba, 

M. Kubo, A. Miyamoto 

235. Crystallization of polydisperse systems 

of aspherical particles. W. L. Miller, 

A. Cacciuto 

236. Dependent of structural and thermodynamic 

characteristics of supercritical carbon 

dioxide fluid from atomic charges in 

molecule in region of critical point calculated 

by RISM theory. S. V. Keshtova, 

F. Keshtova 

237. Application of structure and ligand 

based methods for the investigation of 

the flexibility of loop regions within a cyclin-dependent 

kinase (CDK) and the prediction 

of a possible binding mode of 

highly selective inhibitors. C. Jäger, 

M. Buchholz, W. Brandt, L. Zeitlmann, 

A. Niestroj, H. Demuth, U. Heiser 

238. Molecular simulation of the nucleation 

and growth of C60 nanoparticles from the 

supersaturated vapor and from the undercooled 

liquid. K. Ngale, 

C. Desgranges, J. Delhommelle 

239. Phase equilibria of polyaromatic hydrocarbons 

by hybrid Monte Carlo Wang- 

Landau simulations. A. Magness, 

C. Desgranges, J. Delhommelle, J. Hicks 

240. Molecular simulation of the formation of 

Fe-Pt nanomaterials for ultrahigh-density 

magnetic data storage. J. Persson, 


241. Enhanced sampling in folding simulations 

of Ala5 peptide by DSRI method. 

D. Wei,F.Wang 

242. Monte Carlo statistical analysis of the 

uncertainty of enrichment metrics for ensemble 

docking. I. Tubert-Brohman 

243. Docking studies of propafenone derivatives 

into a homology model of the hERG 

channel in the open state. A. Schiesaro, 

A. Windisch, E. Eugen Timin, S. Hering, 

G. F. Ecker 

244. QSAR, ligand efficiency (LE) and lipophilic 

efficiency (LipE) studies of a series 

of benzophenone-type inhibitors of 

the multidrug transporter P-glycoprotein. 

I. Jabeen, Z. Parveen, U. Rinner, 

P. Chiba, G. F. Ecker 

245. Molecular insight into FabH-inhibitor interactions 

using molecular dynamics simulations 

and free energy calculations to 

identify novel scaffolds for inhibition by 

pharmacophore-based virtual screening. 

A. Mittal, M. E. Johnson 

246. Molecular origin of the interaction between 

PB1 and PB2 subunit in RNA polymerase 

of influenza virus. J. Park,W.Jo 

247. Development of minimal pharmacophore 

hypotheses by molecular dynamics 

simulation and spatial restriction for 

screening N5-CAIR mutase fragment-like 

inhibitors. T. Zhu, D. Mulhearn, 

M. E. Johnson 

248. Computational modeling study of anthranilate 

synthase from Streptomyces 

venezuelae for the developing new antimicrobial 

agents. J. Z. Hu, M. Ashenafi, 

W. M. Byrnes, W. W. Southerland 

249. Machine learning application for the 

high-performance prediction of functional 

sites in proteins of unknown function. 

S. Somarowthu,Y.Wang, 

A. Michaelson, H. Yang, M. Ondrechen 

250. Identification of functional subclasses in 

the ribulose-phosphate binding barrel superfamily 

using computational tools. 

J. S. Lee, S. Somarowthu, M. Ondrechen 

251. Comparison of the performance of different 

scoring functions in docking of antidepressants 

to serotonin transporter. 

S. G. Manepalli, J. D. Madura, C. Surratt 

252. Novel scaffold replacement methodology 

applied to the discovery of P38 MAP 

kinase inhibitors. J. Leonard, 

N. Thorsteinson 

253. Insights into the cross-reaction between 

trypanosoma cruzi antibodies and 

human beta-1 adrenergic receptor. 

C. F. de Oliveira, A. J. McCammon 

254. Molecular orbital study of keto-enol tautomerism 

of salvinorin A models. I. Vinar, 

W. J. Skawinski, C. A. Venanzi 

255. Ligand-steered modeling of the cannabinoid 

receptor 2: Successful applications 

to rationalize SAR data of selective 

CB2 inverse agonist and agonist compounds. 

S. S. Phatak, P. Diaz, J. Xu, 

F. Astruc-Diaz, M. Naguib, 

C. N. Cavasotto 

256. Development of property-encoded 

shape distribution descriptors for the robust 

prediction of polymer glass transition 

temperatures. M. P. Krein,S.Das, 

M. J. Embrechts, B. Natarajan, 

L. Schadler, C. M. Breneman 

257. Molecular dynamics studies of amphiphathic 

peptides embedded within a 

lipid bilayer. T. T. Nguyen, Z. Liu, 

P. B. Moore 

258. Structural basis of pregnane X receptor 

binding promiscuity. C. Ngan, D. Beglov, 

A. N. Rudnitskaya, D. Kozakov, 

D. J. Waxman, S. Vajda 

259. Coarse-grained modeling of antibody 

self-association. A. Chaudhri, 

T. Kamerzell, G. A. Voth 

260. An N log N generalize Born approximation. 

R. Anandakrishnan, A. V. Onufriev 

261. Development of internal potentials for a 

protein coarse-grain forcefield. 

K. Nguyen, J. Galan, Z. Liu, R. DeVane, 

P. Moore 

262. Interaction of 12c4 with alkali metal cation 

in aqueous solution: Theoretical investigation 

using polarized continuum 

model. T. Arora, H. Ali, W. A. Burns, 

H. Koizumi 

263. LowModeMD: Conformational search 

of small molecules, macrocycles, and 

protein loops. E. Sourial,P.Labute 

264. Parameterization of small drug-Like ligands 

using CHARMM General Force 

Field. K. C. Immadisetty, J. Gibbons, 

J. Brancho, J. D. Madura 

265. Glycogen phosphorylase inhibitor identification 

targeting the inhibitor binding 

site using virtual screening and experimental 

validation. S. Zhong, K. Alexacou, 

M. A. Charavgi, C. Tiraidis, 

S. E. Zographos, D. D. Leonidas, 

E. D. Chrysina, N. G. Oikonomakos, 

A. D. MacKerell, Jr. 

266. Structure refinement by J-coupling constants 

restraining using local elevation. 

D. Steiner, W. F. van Gunsteren 

267. First-principles design of conductance 

switching in functionalized carbon nanotubes. 

E. Y. Li, N. Poilvert, N. Marzari 

268. Binding free energy of cocaine and citalopram 

to the serotonin transporter using 

molecular dynamics. J. J. Brancho, 

K. Immadisetty, J. Gibbons, J. D. Madura 

269. Prediction of Lapatinib selectivity with 

kinases in the ErbB family. Y. Huang 

270. Correcting for errors in one-body and 

two-body interactions of small molecules 

in DFT with empirical potential forms parameterized 

through force matching. 

Y. Song,F.Wang 

271. Identification of novel non-hydroxamate 

anthrax toxin lethal factor inhibitor scaffolds 

using in silico and in vitro highthroughput 

screening methodologies. 

T. Chiu, J. Solberg, S. Patil, 

T. W. Geders, X. Zhang, S. Rangarajan, 

R. Francis, B. C. Finzel, M. A. Walters, 

D. J. Hook, E. A. Amin 

272. HS-PHARM-GEN: An automated tool 

for generating receptor-based pharmacophores 

from ligand-free protein structures. 

G. Chuang, C. Barillari, D. Rognan 

273. Molecular interaction footprints: A 

docking rescoring method. T. E. Balius, 

S. Mukherjee, R. C. Rizzo 






consent from ACS.

274. Structural characterization of layered 

perovskite niobates using projector augmented 

wave (PAW) method of density 

functional theory (DFT). J. Adhikari, 

L. J. Smith 

275. Fragment based design and biophores 

using geometric and chemical patterns of 

interactions at interface of ligand-receptor 

complex crystal structures. 

R. Khashan, W. Zheng, a. Tropsha 


277. Cryptic adaptive pockets: What can we 

learn from protein sequence and structure 

regarding new pocket formation? 

V. Chandrasekaran, C. Paris, A. Keating 

278. Folding mechanism of BBL. J. Fan, 

M. Duan, L. Han, S. Huo 

279. Engineering intein-modified cell walldegrading 

enzymes: Prediction of nonnative 

intein insertion sites with nativelike 

properties. J. R. Apgar, B. Shen, 

X. Zuo, X. Sun, P. Lessard, S. Dohle, 

J. Emery, G. Lazar, H. de la Vega, 

M. Ross, D. Sturtevant, T. Shilling, 

R. Raab 

280. SZMAP: Mapping solvent thermodynamics 

in binding sites. J. M. Word, 

M. T. Geballe, A. Nicholls 

281. Improvement of an implicit solvent 

model. H. Nguyen,D.R.Roe, 

L. Wickstrom, C. Simmerling 

282. Hydrated or not? The factors affecting 

the hydration of a protein cavity. H. Yu, 

S. W. Rick 

283. Multi-scale modeling of coarse grained 

protein interactions: A CHARMMing implementation. 

F. C. Pickard, B. T. Miller, 

H. L. Woodcock, H. F. Schaefer, 

B. R. Brooks 

284. Charge transfer model for simulation of 

water and aqueous solutions. A. J. Lee, 

S. W. Rick 

285. Statistical analysis of scoring relative to 

experimental affinities (CSAR 2010 

Benchmark Exercise). R. D. Smith, 

J. B. Dunbar, H. A. Carlson 

286. Hydration and confinement effects on 

helix formation in a 23-residue polypeptide. 

S. Samaratunga, D. Suvlu, 

J. C. Rasaiah, D. Thirumalai 

287. Assessment and optimization of docking-based 

virtual screening for GPCR ligands: 

Not only crystal structures but 

also homology models. S. Costanzi, 

S. Vilar, G. Ferino, S. S. Phatak, B. Berk, 


288. Identification of binding hot spots in 

protein-macrocycle interactions. 

E. A. Villar, D. Kozakov, A. Whitty, 

S. Vajda 

289. Molecular modeling and simulation of 

the HER3/ErbB3 pseudo-kinase domain. 

S. E. Telesco, Y. Liu, R. Radhakrishnan 

290. Can vibrational spectra distinguish anionic 

from neutral radicals derived from 

ubiquinone cofactors in electron transfer 

proteins? R. A. Wheeler, S. E. Boesch 

291. Computational study of the effects of 

water molecules on sulfur oxide reactions. 

J. M. Standard, M. C. Cafarelli, 

P. Gorczynski, R. A. Craigmile 

292. Eyring: A computer program for computing 

gas-phase bimolecular chemical 

reaction rates of polyatomic species. 

C. Zavala-Oseguera, A. Galano, 

A. Ramírez-Manzanares, G. Merino 

293. Conformational sampling of macrocycles 

using Monte Carlo search techniques. 

C. Weigelt, R. Kimura, 

A. J. Tebben 

294. Computational studies on interaction of 

antioxidant dendrimers with plasmid 

DNA, pBR322. L. Rakesh, C. Y. Lee, 

P. Chhetri 

295. Designing enzymes with ROSETTA: 

Challenges and solutions. S. Kim, 

G. Kiss, R. S. Paton, S. A. Johnson, 

G. Nosrati, K. N. Houk 

296. QSAR modeling of GPCR receptor families, 

model application for virtual screening, 

and experimental validation of computational 

hits. R. Hajjo, S. Wang, 

B. L. Roth, A. Tropsha 

297. Parallel virtual screening for novel antimigraine 

therapeutics acting on 5-HT1B, 

5-HT1D and 5-HT1F serotonin receptors. 

T. L. Moda, X. S. Wang, 

A. D. Andricopulo, T. I. Oprea, A. Tropsha 

298. Development of semi-empirical models 

for zinc metalloenzymes. S. Wang, 

G. Lamoureux 

299. Allosterism in MutS proteins during 

DNA mismatch recognition and repair 

signaling. S. N. Pieniazek, 

M. M. Hingorani, D. L. Beveridge 

300. Computational investigation of the Nitrogen-Boron 

interaction in o-(N,N-dialkylaminomethyl)arylboronate 

systems. 

J. D. Larkin, J. S. Fossey, T. D. James, 

B. R. Brooks, C. W. Bock 

301. Analysis of amino acid sidechain Chi1, 

Chi2 conformational properties using 

quantum mechanical and experimental 

data. X. Zhu, P. Lopes, J. Shim, 

A. D. MacKerell, Jr. 

302. Structure-based fragment hopping ligand 

design using predocked fragment 

database. F. Lin, Y. Tseng 

303. Fragment-based de-novo design for 

VEGFR2/3 inhibitors. Y. Huang,B.Su, 

Y. Tseng 

304. 4D-Fingerprints clustering based scaffold 

hopping. Y. Tu, B. Su, Y. Tseng 

305. Simulation-informed predictions of interfacial 

phenomena: A generalized 

model for the electric double layer. 

A. Striolo 

306. Pose accuracy using DOCK: Database 

construction and protocol evaluation. 

S. Mukherjee, T. E. Balius, R. C. Rizzo 


308. Conceptual QSAR models for cellbased 

assays combining QM/MM linear 

response approach and disposition function. 

S. Natesan, S. Balaz 

309. Charge transfer excited states for large 

donor-acceptor molecular systems. 

T. Baruah, M. Olguin, R. R. Zope 


311. Quantitative conformational sampling of 

glucokinase using second-order orthogonal 

space random walk. W. Harris, 

W. Yang 

312. Interplay of AAA� molecular machines, 

DNA repair enzymes and sliding clamps 

at the replication fork: A multiscale approach 

to modeling replisome assembly 

and function. I. Ivanov, J. McCammon, 

J. A. Tainer 

313. High-quality ligand-steered modeling 

and docking evaluation of classAGprotein-coupled 

receptors. S. S. Phatak, 


314. Multiple land simultaneous docking 

(MLSD): Orchestrated dancing of ligands 

in binding sites of protein. H. Li, C. Li 

315. Ligand effects on geometric and electronic 

structure of the Au 25(SR) 18 - nanoparticle. 

C. M. Aikens 

316. Flipping process of 8oxoG in Fpg studied 

by mutagenesis in silico and umbrella 

sampling simulation. F. Lin, 

A. J. Campbell, C. Bergonzo, 

A. Grollman, C. Simmerling 


Section A 


Room 156C 



Applications to Nanoscale and 

Biomolecular Systems Cosponsored by 

PHYS 

G. Voth, M. Tuckerman, Organizers 

J. Straub, Organizer, Presiding 

8:30 317. Protein folding/unfolding under 

force. J. M. Fernandez, R. Berkovich, 

T. Kuo, S. Garcia-Manyes, J. Li, I. Barel, 

H. Lu, B. J. Berne, M. Urbakh, J. Klafter 

9:00 318. Multiscale experimental and computational 

studies of cadherin-mediated 

cell adhesion: From molecule to cell. 

B. Honig 

9:30 319. Link between folding landscapes 

of riboswitches and control of gene expression. 

D. Thirumalai 


10:15 320. Urea’s action on hydrophobic interactions 

in both physical and biological 

systems. R. Zhou 

10:45 321. Simulations of protein aggregation 

in the cellular milieu. J. Shea 

11:15 322. Exploring the earliest stages of 

the amyloid � protein aggregation pathway. 

J. E. Straub 

Section B 


Room 156B 




Free Energy Simulation and Enhanced 

Sampling 


P. Liu, Presiding 

8:30 323. Reconstructing the energy landscape 

of single molecules and complexes 

from force measurements. G. Arya 

9:00 324. Protein-ligand binding free energy 

calculations for pharmaceutical targets 

with the binding energy distribution analysis 

method (BEDAM). L. Mauro, 

E. Gallicchio, R. M. Levy 

9:30 325. New algorithms for enhanced 

sampling and applications to protein folding 

in explicit solvent. J. Ma 


10:15 326. High-order generalized ensemble 

theory to achieve long timescale sampling 

of complex biomolecules. W. Yang 

10:45 327. Target-blind conformational 

sampling in all-atom protein simulations 

with temperature-accelerated molecular 

dynamics. H. Vashisth, C. F. Abrams 

11:15 328. Q-dynamics: A transition state 

theory based strategy for modeling rare 

event dynamics. C. Lu, G. Henkelman 

Section D 


Room 157C 

Success Stories in Computer-Guided 

Chemistry 

A. Parrill, Organizer, Presiding 

8:30 329. Computer-guided discovery of 

autotaxin inhibitors. A. L. Parrill, 

E. J. North, A. Hoeglund, H. Bostic, 

M. D. Best, D. L. Baker 

9:00 330. Probing hydrophilic domains and 

interdomain bridges in selected morphological 

models of hydrated Nafion using 

large-scale molecular dynamics simulations. 

C. K. Knox,G.A.Voth 

9:30 331. Computational design of organometallic 

photochromic systems with chelating, 

bifunctional tethered side-chains. 

C. E. Webster, K. R. Ruddick, 

K. L. Mosley, J. O. Johnson, P. P. Lubet, 

T. J. Burkey 


10:15 332. Modeling detailed chemical kinetics 

of JP-10 combustion using automated 

reaction mechanism generation. 

G. R. Magoon, W. H. Green, 

O. O. Oluwole, H. Wong, S. E. Albo, 

D. K. Lewis 

10:45 333. Computational (re)design and 

engineering of lipases: Toward a “Diels- 

Alderase”. M. Linder, T. Brinck 

11:15 334. Dynamic modeling and optimization 

of alcoholic fermentation of a grape. 

H. Ait Haddou 

Section E 


Room 157B 



Computational Approaches for Fragment 

Screening 

G. Warren, N. Nevins, Organizers 

G. McGaughey, Organizer, Presiding 

8:30 335. Recent advances in computational 

fragment-based lead discovery. 

C. Detering, H. Claussen, M. Gastreich, 

M. Lilienthal, C. Lemmen 

9:00 336. Let Gibbs be your guide: Free energy 

simulations in fragment-based drug 

design. Z. Konteatis, A. Klon, S. Meshkat, 

J. Zou, C. H. Reynolds 

9:30 337. Fragment-to-lead and peptide mimetic 

design using Fragment Molecular 

Orbital QM calculations. R. J. Law, 

O. Ichihara, M. Mazanetz, M. Szeto, 

S. Pal, M. Whittaker, D. Hallett 


10:15 338. Fragment based screening by 

free energy computer simulations: A critical 

assessment. J. W. Essex, 

M. Bodnarchuk, R. Viner 

10:45 339. Quantum mechanical pair-wise 

decomposition analysis of protein kinase 

B inhibitors: Validating a new tool for 

fragment-based drug design. 

A. C. Gibbs, X. Zhang, C. H. Reynolds, 

M. B. Peters, L. M. Westerhoff 

11:15 340. Fragment based drug design using 

differential chemical shift perturbation 

induced upon binding. L. Westerhoff, 

J. Liu, S. Brown, A. M. Petros, B. Wang, 

K. M. Merz 

Section F 


Room 154 


FBDD and LBDD 


A. Patny, Presiding 

8:30 341. Flexible alignment in 3D and its 

applications. A. Kalaszi,G.Imre, 

O. Farkas, M. Vargyas, F. Csizmadia 

9:00 342. Template-constrained fragment 

alignment (TCFA). R. D. Cramer 

9:30 343. Chemical fragments that hydrogen 

bond to Asp, Glu, Arg, and His side 

chains in protein binding sites. E. Chan, 

R. Laskowski, D. Selwood 


10:15 344. Designing FBS libraries for drug 

discovery: Capturing fragment potential. 

J. M. Jansen, P. Mukherjee, 

M. K. Lindvall, Y. Xu, T. J. Hoeffel, 

R. W. Thompson, J. Kondracki, 

E. J. Martin 

10:45 345. CADD methodologies for lead 

optimization: Recent advances. 

R. D. Cramer 





COMP 

TECH–45


Section C 


Room 157A 


Methods 



9:00 346. Software for drug discovery: Are 

we solving the most relevant problems? 

W. Walters 

Simulation of Hybrid Interfaces and Multi- 

Component Polymeric Materials 

Biointerfaces Sponsored by PMSE, 




Role in Drug Research Sponsored by CINF, 

Cosponsored by COMP and MEDI 


Section A 


Room 156C 




Biomolecular Systems Cosponsored by 

PHYS 

J. Straub, M. Tuckerman, Organizers 

G. Voth, Organizer, Presiding 

1:30 347. Base-by-base ratcheting of single 

stranded DNA through a solid-state 

nanopore: The DNA transistor. H. Peng, 

B. Luan, S. Harrer, S. Polonsky, 

S. Rossnagel, G. Martyna, G. Stolovitzky 

2:00 348. Exploring landscapes for protein 

allostery, binding, and folding: Effective 

potentials, replica exchange dynamics, 

and kinetic network models. R. Levy, 

M. Andrec, E. Gallicchio, W. Zheng 

2:30 349. Aging: Rejuvenation and the ultimate 

fate of supercooled liquids. 

P. G. Wolynes 


3:15 350. Millisecond-long molecular dynamics 

simulations of proteins on a special-purpose 

machine. D. E. Shaw 

3:45 351. Application of Markov State Models 

to dramatically enhance sampling of 

complex biomolecular simulations. 

V. Pande 

4:15 352. Multiscale theory and simulation 

of biomolecular systems. G. A. Voth 

Section B 


Room 156B 




Protein Dynamics 

J. Chu, Organizer 

H. Guo, Organizer, Presiding 

1:30 353. Multi-scale simulation methods 

for modeling two-step ligand-protein 

binding processes. M. Kang, C. A. Chang 

2:00 354. Multiscale simulations of F1-AT- 

Pase. J. Pu, M. Karplus 

2:30 355. Constructing a mechanistic model 

for a processive cellulose-degrading enzyme 

from molecular simulation. 

G. T. Beckham, J. F. Matthews, 

Y. J. Bomble, L. Bu, W. S. Adney, 

M. E. Himmel, M. R. Nimlos, 

M. F. Crowley 

46–TECH 



3:15 356. Allostery of protein as determined 

by dynamics fluctuations and correlations. 

M. Liu 

3:45 357. Investigating conformational 

changes of biological macromolecules 

using multi-resolution Markov State Models. 

X. Huang 

4:15 358. Discovering conformational substates 

essential to protein function: A 

multi-scale approach. A. Ramanathan, 

C. J. Langmead, C. S. Chennubhotla, 

P. K. Agarwal 

Section C 


Room 157A 


Methods 




Section D 


Room 157C 


Cross Pharma Collaboration in High 

Performance Computing Financially 

supported by Intel Corporation and Dell 

Incorporated 

E. Fluder, Z. Yang, Organizers 

1:30 359. Introduction to cross pharma high 

performance computing forum. 

J. C. Morris,Z.Yang 

2:00 360. Applications and use of cloud 

computing in the pharmaceutical industry. 

M. D. Miller, D. M. Powers, 

G. Stiegler, J. M. M 

2:30 361. Current trends of high performance 

computing in Pharma. S. Litster, 

J. Martin 

3:00 362. Challenges of HPC and collaboration 

opportunities in Pharma. 

R. Stansfield, M. D. Miller 


3:45 Open Panel Discussion 

Section E 


Room 157B 



Learnings from Docking and Scoring 

Evaluations with a Pharmaceutically 

Relevant Data Set 

N. Nevins, G. Warren, G. McGaughey, 

Organizers 


1:35 363. Importance of pharmaceutically 

relevant benchmark data. C. Lemmen, 

M. Gastreich, C. Detering, P. Oledzki 

2:05 364. Insights from “real world” docking 

with RosettaLigand. I. W. Davis 

2:35 365. Recent experiences with molecular 

docking in MOE. C. Williams, 

P. Labute 


3:20 366. Advances in induced-fit docking: 

What we have learned (and not learned) 

from the GSK dataset. D. Shivakumar, 

W. Sherman 

3:50 367. Surflex-Dock and the GSK Dataset: 

A retrospective. E. Metwally 

4:20 368. How to build a better mousetrap: 

Experiences with docking/scoring benchmarks 

– including the GlaxoSmithKline 

set – and what has been learned. 

L. M. Westerhoff 


Section F 


Room 154 

Emerging Technologies in Computational 

Chemistry 

Award Symposium Financially supported by 

Schrödinger, Inc. 

C. Breneman, Organizer, Presiding 


1:35 369. Pocket similarity: Are alpha carbons 

enough? H. Feldman 

2:05 370. Chemically meaningful net atomic 

charges and atomic multipole moments 

that reproduce the electrostatic potential 

in periodic and nonperiodic materials. 

T. A. Manz, D. S. Sholl 

2:35 371. Ultrafast electrostatic similarity: 

The sound of inevitability? 

P. C. Hawkins, A. Nicholls 

3:05 372. Bringing GPUs to mainstream molecular 

dynamics packages, acceleration 

of AMBER molecular dynamics simulations 

using NVIDIA GPUs: Achieving high 

performance without sacrificing accuracy. 

R. C. Walker 


3:50 373. Quantum polarized fluctuating 

charge (QPFC) model: A practical method 

to include quantum mechanical ligand 

polarizability in force-field-based molecular 

simulation. S. Kimura, R. Rajamani, 

D. R. Langley 

4:20 374. Status of the ReaxFF reactive 

forcefield: Development and applications. 

A. C. van Duin, M. Russo, K. Joshi, 

S. Kim, S. Agrawalla, A. Kamat, 

A. Bharati, J. D. Kubicki 

4:50 375. Parametrization of site-specific 

force fields for computational enzymology. 

G. Lamoureux 

5:20 Judgement and Award 



Multiscale Simulation of Polymeric 

Materials Sponsored by PMSE, Cosponsored 

by COMP 






Section C 


Room 157A 



J. Starr, Organizer 

V. Shanmugasundaram, Organizer, 

Presiding 

8:00 Introductory Remarks - Veer Shanmugasundaram 

8:05 376. Approaches to the treatment of 

multidrug resistant gram negative infections. 

M. C. Noe, S. J. Brickner, T. Gootz, 

M. Huband, M. E. Flanagan, J. Mueller 

8:45 377. Physicochemical property space 

of antibiotics. H. E. Moser 

9:15 378. Physicochemical properties correlated 

with Gram-negative antibacterial 

activity of compounds in the Pfizer corporate 

library. J. T. Starr, R. Gupta, 

V. Shanmugasundaram 

9:45 379. Combining lessons from computational 

design of gram positive antibacterials 

with datamining to aid the design 

of novel gram negative antibacterials. 

C. J. Eyermann 


10:30 380. Targeting gram-negative pathogens: 

Drug design to improve antibiotics 

permeation? E. Hajjar, A. Kumar, 

P. Ruggerone, M. Ceccarelli 

11:00 381. Structure-based lead optimization 

of novel bacterial type II topoisomerase 

inhibitors. N. D. Pearson,Z.Yang, 

B. D. Bax, M. N. Gwynn 

11:30 382. Fragment-based development of 

tetrazole inhibitors against class A betalactamase. 

Y. Chen 

Section A 


Room 156C 

Materials, Polymers, and Nano-stuff 

Materials Are Soooooo Much Cooler Than 

the Twilight Saga 


J. Kelley, Presiding 

8:30 383. Elucidating the molecular mechanisms 

underlying the nucleation and 

growth of nanoparticles. K. D. Watson, 

J. Persson, C. Desgranges, 

J. Delhommelle 

9:00 384. Molecular and mesoscale mechanisms 

of Brittle Bone Disease (Osteogenesis 

imperfecta): A computational materiomics 

study. M. J. Buehler, M. Buehler 

9:30 385. Mimicking coarse-grained simulations 

without coarse-graining: Enhanced 

sampling by damping short-range interactions. 

F. Wang,D.Wei 


10:15 386. Mechanism of sliding clamp 

opening by the clamp loader RFC: Insight 

from atomistic simulations. I. Ivanov, 

J. McCammon, J. A. Tainer 

10:45 387. Spatial hetererogeneity in the 

temperature of a rectangular nanorod 

dragged across a surface. A. V. Popov, 

R. Hernandez 

11:15 388. Molecular dynamics simulations 

of nanoparticles and surfactants at oil/ 

water interfaces: Chemisorption vs. physisorption. 

S. O. Nielsen,C.T.Nguyen, 

U. Ranatunga 

Section B 


Room 156B 




Biological Membranes and Nanosystems 

J. Chu, Organizer 

H. Guo, Organizer, Presiding 

8:30 389. Aggregation dynamics of spherically-symmetric 

reactive colloidal particles. 

M. C. Hagy,S.J.Fitzwater, 

T. H. Pierce, M. Schure, A. V. Popov, 

R. Hernandez 

9:00 390. Coarse-grained models for processes 

that involve large-scale membrane 

deformation. Q. Cui 

9:30 391. Coarse-graining electrostatics in 

multiscale molecular simulations. 

D. Alemani, F. Collu, E. Spiga, 

M. Cascella, M. Dal Peraro 


10:15 392. Understanding the cellulosome 

and its assembly with coarse-grain modeling: 

Toward improving the CBP process. 

M. Crowley, Y. J. Bomble, 

M. R. Nimlos, M. E. Himmel 

10:45 393. Developing multiscale simulation 

models to study aggregation in peptidebased 

materials. C. Peter 

11:15 394. Recent progress in multiscale 

molecular dynamics simulation of soft 

matter. B. Ensing,P.B.Moore, 

S. O. Nielsen 






consent from ACS.

Section D 


Room 157C 

Peter McWilliams said, ‘Life is Not a 

Struggle. It’s a Wiggle.’ 

MD Methodology 


D. Xu, Presiding 

8:30 395. Monte Carlo simulations of biophysical 

systems: The importance of 

quality of random number generators. 

G. Kaminski 

9:00 396. Developing multisite �-dynamics 

for structure-based drug design. 

J. L. Knight,C.L.Brooks 

9:30 397. A new computational method for 

modeling the solvation at interfaces: 

Bridging fluctuating hydrodynamics and 

molecular dynamics simulations. 

N. Voulgarakis, B. Shang, J. Chu 

10:00 398. Novel method to control pressure 

in molecular dynamics simulations. 

D. V. Perez, P. B. Moore, S. O. Nielsen 


10:45 399. Hydration effects on protein dynamics 

and function: A microscopic perspective. 

Q. Johnson, U. Doshi, 

D. Hamelberg 

11:15 400. Lambda hopping: An efficient 

replica exchange-based sampling 

method for free energy perturbation calculations. 

Y. Wu, T. Lin, J. C. Shelley, 

W. Sherman 

11:45 401. Improving umbrella sampling 

with knowledge. D. J. Sindhikara, 

Y. Okamoto 

Section F 


Room 154 


Energy 


J. Jansen, Presiding 

8:30 408. Application of free energy perturbation 

to drug discovery research: What 

have we learnt so far, and whats next? 

D. Shivakumar, W. Sherman 

9:00 409. Binding site water in relative free 

energy calculations for drug-like compounds. 

J. C. Shelley, D. Calkins, 

A. P. Sullivan, Y. Wu, T. Lin, B. Kim, 

M. Y. Shelley, R. J. Abel 

9:30 410. Optimal �-stacking interaction energies 

in parallel-displaced aryl/aryl 

dimers are predicted by the dimer heavy 

atom count. J. M. Sanders 

10:00 411. Computational alanine scanning 

with linear scaling semi-empirical quantum 

mechanical methods. D. J. Diller, 

X. Zhang, L. M. Westerhoff 


10:45 412. Computational insight into the 

specific inhibition of cyclophilins A and B. 

O. Acevedo, S. V. Sambasivarao 

11:15 413. Structural promiscuity of human 

cytochromes P450: Understanding drugdrug 

interactions and metabolism via in 

silico fragment mapping. C. Ngan, 

R. L. Napoleon, D. Kozakov, S. Vajda 

11:45 414. GeoIsosteres: Structure-based 

approach to finding bioisosters using 

geometric and chemical patterns of interacting 

atoms at receptor-ligand interfaces. 

R. S. Khashan, W. Zheng, 

A. Tropsha 







Polymers, Fibers and Nanocomposites 

Sponsored by PMSE, Cosponsored by COMP 


Section B 


Room 156B 




Chemical Reactions in Condensed Phase 


X. Huang, Presiding 

1:00 415. Energy triplets for writing epigenetic 

marks: QM/MM free energy simulations 

of protein lysine methyltransferases. 

H. Guo 

1:30 416. Multiscale quantum modeling of 

mechanisms of ribozyme catalysis. 

D. M. York 

2:00 417. Nanoscale effects on heterojunction 

electron gases in core/shell nanowires. 

B. M. Wong, F. Leonard 

2:30 418. Simulations of highly reactive 

complex chemical processes via an 

adaptive, multilevel QM/MM technique. 

M. R. Salazar 

Section C 


Room 157A 




J. Starr, Organizer, Presiding 


1:05 419. Utilizing organic syntheses and 

microbial iron assimilation processes for 

the development of new antibiotics. 

M. J. Miller 

1:45 420. Utilization of bacterial iron transport 

systems for drug delivery. 

U. Moellmann, L. Heinisch 

2:15 421. Activity of BAL30072, a novel siderophore 

sulfactam. M. G. Page 

2:45 422. Targeting bacterial multidrug efflux 

pumps. O. Lomovskaya, S. Hecker 


3:30 423. Interaction of �-peptides with 

membranes. J. Mondal,X.Zhu,Q.Cui, 

A. Yethiraj 

4:00 424. Molecular modeling of beta-lactamase 

inhibitors. S. Ha, T. Blizzard, 

H. Chen, S. Kim, J. Wu, K. Young, 

Y. Park, A. Ogawa, S. Raghoobar, 

R. Painter, N. Hairston, S. Lee, A. Misura, 

T. Felcetto, P. Fitzgerald, N. Sharma, 

J. Lu, E. Hickey, J. Hermes, M. Hammond 

4:30 425. Assembly and function of large 

Gram-negative bacterial machines studied 

by molecular simulation integrated 

with experimental data. M. Dal Peraro 

5:00 426. Design of potent, broad-spectrum 

AccC inhibitors. L. Xiao, C. Cheng, 

G. W. Shipps, A. Soriano, P. Orth, 

T. Black 

Section A 


Room 156C 

Materials, Polymers, and Nano-stuff 

Honey, I Shrunk the Materials 


R. Paton, Presiding 

1:30 427. Application of the Nudged Elastic 

Band method to the Su-Schrieffer-Heeger 

model reveals a new conduction 

mechanism in trans-polyacetylene. 

A. L. Botelho, M. Li, X. Lin 

2:00 428. Computational high-throughput 

screening of sorbents for reversible CO 2 

capture at high temperature. U. Das, 

W. H. Green 

2:30 429. Excited-state properties of dyesensitized 

solar cells and light-harvesting 

molecules. B. M. Wong,J.G.Cordaro 

3:00 430. Computational study of electronic 

states of monomer units of epoxy polymers. 

U. T. Novakovski, 

S. L. Richardson, S. Christensen 


3:45 431. Migration mechanism of self-localized 

defects in conductive polymers. 

Y. Shin,X.Lin 

4:15 432. Asymmetric deposition of Pt electrodes 

on (001) ferroelectric surfaces. 

M. A. Méndez Polanco, I. Grinberg, 

A. M. Rappe 

Section D 


Room 157C 

Data Analysis: Statistics on Chemicals 



A. Abebe, Presiding 

1:30 433. Exploring protein conformational 

changes with accelerated molecular dynamics 

in NAMD. Y. Wang, 

J. McCammon 

2:00 434. Pseudo-chair conformation of carboxyphosphate. 

V. S. Pakkala, 

S. M. Firestine, J. D. Evanseck 

2:30 435. Analysis of vibrational spectra of 

polypeptides in terms of localized vibrations. 

C. R. Jacob, M. Reiher 


3:15 436. Conformational coupling between 

LOV and kinase domains in phototropins: 

A computational perspective. M. Stenta, 

M. Dal Peraro 

3:45 437. Conformational sampling of macrocycles 

through accelerated molecular 

dynamics simulation. S. Kimura 


Section F 


Room 154 


Proteins: The BIG Phings the Drugs Stick 

To 


R. Napoleon, Presiding 

1:30 446. Tackling difficult protein targets 

for novel anti-cancer treatments. I. Chen 

2:00 447. Pose grading for docking applications. 

S. A. Wildman, J. Penzotti 

2:30 448. Alignment of protein surfaces using 

shape and chemical features: Application 

to detect local similarity among 

protein-ligand binding sites. B. K. Rai, 

G. A. Bakken, W. J. Howe 


3:15 449. Ligand-steered homology modeling 

and high-throughput docking: Successful 

evaluation in aminergic GPCRs. 

C. N. Cavasotto, S. S. Phatak 

3:45 450. More better charges for metalloproteins. 

A. Cho 



Inorganic Interfaces and Biomaterials 

Sponsored by PMSE, Cosponsored by COMP 

ENVR 

Division of 

Environmental 

Chemistry 

D. Dionysiou, Program Chair 


Chemical Sensors (see ANYL, Thu) 

Frank H. Field and Joe L. Franklin 

Award for Outstanding Achievement 

in Mass Spectrometry: Symposium in 

Honor of Catherine Costello (see 

ANYL, Tue) 

Pharmaceutical Analysis (see ANYL, 

Sun) 

Surface Chemistry and 

Environmental Applications of 

Nanoporous Materials (see COLL, Sun 

& Mon) 

Coal-, Gas-, Biomass- and Waste-to- 

Liquids Conversion (see FUEL, Wed) 

Environmental Aspects of Inorganic 

Chemistry (see INOR, Sun) 


Social Hour, 6:30 PM: Tue 

Dinner, 7:00 PM: Tue 


Program Planning Meeting, 2:00 PM: 

Sun 

Long Range Planning, 3:00 PM: Sun 

Executive Committee Meeting, 7:00 

PM: Sun 


Section A 

Renaissance Boston Waterfront 

Atlantic Ballroom 1 

Chemistry of AOP Radicals During Water 

and Wastewater Treatment 

D. Dionysiou, F. Rosario, Organizers 

S. Mezyk, Organizer, Presiding 

COMP/ENVR 


8:35 1. Evaluation of the reactivity of hydroxyl 

radical towards effluent organic 

matter. F. L. Rosario-Ortiz,M.Dong, 

S. Mezyk 

9:05 2. Removing estrogenic steroids from 

waters by advanced oxidative and reductive 

chemistry. E. M. Abud, 

K. L. Swancutt, K. A. Rickman, 

S. P. Mezyk 

9:25 3. Supported bismuth catalysts for 

degradation of organic contaminants. 

J. Virkutyte,R.S.Varma 





TECH–47

ENVR TECHNICAL PROGRAM 

9:45 4. Ionizing radiation techniques for hydroxyl 

radical efficiency determinations of 

organic contaminant mixtures in treated 

wastewater matrices. J. R. Peller, 

S. P. Mezyk 


10:20 5. Effect of photocatalytic degradation 

and adsorption processes on the removal 

of phenolic compounds from agroindustrial 

effluent. K. Baransi, 

Y. Dubowski, I. Sabbah 

10:40 6. Advanced oxidation processes for 

the removal of antidepressant compounds 

from water: Photochemical fate 

studies. H. Santoke,W.Song, 

W. J. Cooper 

11:00 7. Reductive dechlorination of carbon 

tetrachloride in modified Fenton reaction 

by Fe(II) chelated with cross-linked chitosan. 

Y. Lee, S. Bae,W.Lee 

11:20 8. Degradation of phenolic compounds 

and antibiotics in the presence of 

free radicals. X. He, M. Yalılı Kılıç, 

K. Kestiogˇ lu, S. Mezyk, D. D. Dionysiou 

Section B 


Pacific Ballroom A/B 




Surface-Involved Reactions Cosponsored by 

COLL and GEOC 

H. Zhang, T. Strathmann, J. Brandes, 

J. Texter, Organizers 

E. Weber, Organizer, Presiding 


8:35 9. First-principles investigation of catalytic 

reduction of nitrogen oxides for environmental 

applications. W. F. Schneider, 

D. McCalman 

9:05 10. Depth resolved characterization of 

model and ambient atmospheric particles 

using high-resolution secondary ion mass 

spectrometry. S. Ghosal 

9:25 11. Nonionic surfactant interaction with 

biofilm in surfactant enhanced biofiltration 

systems. V. R. Sendamangalam, 

W. Zongsu, G. Sorial, Y. Seo 

9:45 12. Deposition of inorganic minerals at 

the water-metal interface: Role of surface 

conditioning by anti-deposition polymers. 

H. Li,R.Vidic 


10:20 13. Unexpected role of activated carbon 

in promoting transformation of secondary 

amines to N-nitrosamines. 

C. Huang 

10:50 14. Revision of oxidative catalytic reaction 

mechanism of hematite nanoparticles 

and related size-effects. 

I. Chernyshova, S. Ponnurangam, 

P. Somasundaran 

11:10 15. Interactions between metal oxides 

and the impact on the redox transformation 

of organic contaminants. H. Zhang, 

S. Taujale, F. J. Murrillo, P. Bick 

11:30 16. Uranyl at fused silica/aqueous interfaces 

studied by resonantly enhanced 

second harmonic generation and the 

Eisenthal chi(3) method. F. M. Geiger 

Section C 


Atlantic Ballroom 2/3 


Status and Trends Cosponsored by ANYL 

Financially supported by Global Innovation 

Imperatives 

M. Larsen, W. Cooper, Organizers 

S. Ahuja, Organizer, Presiding 

48–TECH 



8:35 17. Water quality status and trends in 

the United States. M. C. Larsen, 

P. A. Hamilton, D. N. Myers 

9:05 18. Water quality issues in India due to 

environmental pollution. R. K. Sharma 

9:35 19. Rivers in Africa are in jeopardy and 

there is need for rivers’ restoration. 

S. O. Wandiga 

10:05 20. Quantitative structure activity relationships 

(QSAR) for determining the mobility 

and toxicity of quaternary ammonium 

compounds. U. Tezel, 

S. G. Pavlostathis 


10:50 21. Understanding temporal trends in 

the chemistry of halides and dissolved organic 

matter. K. M. Walker, T. Boyer, 

C. Overdevest 

11:20 22. Monitoring from source to tap: 

The new paradigm for ensuring water security 

and quality. D. Kroll 

11:50 23. Beyond water sustainability. 

S. Ahuja 


Section A 





D. Dionysiou, S. Mezyk, Organizers 

F. Rosario, Organizer, Presiding 

1:30 24. Absolute kinetics and reaction efficiencies 

of hydroxyl radical-induced degradation 

of methyl isothiocyanate (MITC) 

in different quality waters. S. P. Mezyk, 

K. L. Swancutt, M. K. Dail, K. P. Ishida 

2:00 25. Degradation of DNOC with nanomagnetite 

and cathodic Fenton generation 

of hydrogen peroxide. A. T. Lemley, 

X. Zeng, K. Hanna 

2:20 26. Effects of hydroxyl radical mediated 

oxidation on N-acylhomoserine lactones 

used in microbial signaling: Rates, 

products, and effects on signaling activity. 

J. L. Ferry, R. L. Frey, A. W. Decho 

2:40 27. Linear free energy relationship 

(LFER) for the aqueous phase hydroxyl 

radical (HO●) reactions with ionized species: 

Experimental and theoretical studies. 

D. Minakata, J. C. Crittenden 


3:15 28. Sonocatalytic elimination of diclofenac 

in water. N. H. Ince, A. Ziylan 

3:35 29. Characterization of performance 

and wear mechanism of diamond electrodes 

used for electrochemical oxidation 

of TCE. B. P. Chaplin, J. Farrell, 

J. Carlisle, H. Zeng 

3:55 30. Removing contaminant pharmaceuticals 

from waters using sulfate radicals. 

K. A. Rickman, G. McKay, 

S. P. Mezyk 

4:15 31. Effects of pH, phosphate, chloride, 

bromide, carbonate, Fe(II) and natural organic 

matter on the yield of HO from a 

modified Udenfriend process: A multifactorial 

study. J. M. Burns, J. L. Ferry, 

T. J. Shaw 

4:35 32. Effect of copper on zerovalent ironbased 

oxidation for the degradation of trichloroethylene. 

K. Choi,W.Lee 


Section B 





Metals and Metal Oxides Cosponsored by 

COLL and GEOC 

E. Weber, H. Zhang, T. Strathmann, 

Organizers 

Y. Jun, Presiding 


1:35 33. Evaluating prediction uncertainty in 

reactive transport models of uranium in 

groundwater. G. P. Curtis,M.Ye, 

M. Kohler, P. Fox, J. Davis 

2:05 34. Uranium attenuation in subsurface 

systems under NH 3 gas induced alkaline 

conditions. N. P. Qafoku, J. E. Szecsody, 

M. J. Truex, L. Zhong 

2:25 35. Removal of low levels of As, Se, Cu 

and Cr from waste ion exchange brine by 

in situ ferric hydroxide precipitation. 

J. E. Tobiason, Y. Larsen, M. Pham 


3:00 36. Multifactorial modeling of the effects 

of precipitating agents and common 

ions on Fe(II) oxidation in the presence of 

natural organic matter. J. L. Ferry, 

J. M. Burns, T. J. Shaw 

3:30 37. CO 2-H 2O-PbS interfacial reactions: 

Implications for CO 2 leakage from geologic 

sequestration. K. O’Malley, Y. Jun 

3:50 38. Sequestration of 99 Tc by goethite. 

W. UM, R. Serne, N. P. Qafoku, 

J. H. Westsik 

4:10 39. Initial concentration effect: Inherent 

limitations of classical adsorption theories. 

G. Pan 

Section C 




Monitoring Various Contaminants 

Cosponsored by ANYL Financially supported 

by Global Innovation Imperatives 

S. Ahuja, W. Cooper, Organizers 

M. Larsen, Organizer, Presiding 


1:35 40. Forensic water quality investigations: 

Identifying pollution sources and 

polluters. S. Ahuja, L. B. Cahoon, 

R. H. Cutting 

1:55 41. Septic systems in the coastal environment: 

Multiple water quality problems 

in multiple areas. M. A. Mallin 

2:15 42. Analytical chemical measurements 

to improve non-point pollution assessment 

in Indiana’s Lake Michigan Watershed. 

J. R. Peller, E. Argyilan 

2:35 43. Kinetics and mechanism of the 

sensitized photodegradation of trimethoprim 

in aqueous environment. 

W. Song, H. Xu, W. J. Cooper 

2:55 44. Factors controlling the regional distribution 

of Vanadium in California 

groundwater. M. T. Wright, K. Belitz 


3:30 45. Measuring redox potential in situ 

using a fiber optic sensor. W. Chudyk, 

C. Sotolongo, E. Mueller 

3:50 46. Interaction between mercury and 

marine organic matter. A. B. Schartup, 

R. P. Mason 

4:10 47. Atmospheric mercury deposition in 

Bermuda. S. Gichuki, M. Andersson, 

R. Mason, A. Peters 

4:30 48. Streamwater dissolved nitrate 

trends in the Mississippi-Atchafalaya 

River Basin using windowed regressions 

on time, discharge, and season. 

B. T. Aulenbach, R. M. Hirsch 

4:50 49. Removing chemical contaminants 

from water using radical reactions. 

S. P. Mezyk 




Machine Sponsored by CEI, Cosponsored by 

CHED and ENVR 


Section C 


Brewster 


Remediation of Various Contaminants 

Cosponsored by ANYL Financially supported 

by Global Innovation Imperatives 

S. Ahuja, W. Cooper, M. Larsen, 



8:05 50. Arsenic in groundwater and its impact 

on community health. K. J. Nath 


8:55 52. Arsenic sorption dynamics on composite 

iron matrix for efficient arsenic water 

filter design. A. Hussam, S. Ahamed 

9:20 53. First community based sustainable 

arsenic removal system in Cambodia. 

D. Uy,V.Huy,A.K.SenGupta 

9:40 54. Arsenic removal from drinking water 

and ion exchange brine using polysaccharide-bridged 

iron-based nanoparticles. 

Q. Liang, B. An, D. Zhao 


10:15 55. Evaluation of environmentally sustainable 

strategies to address challenges 

associated with water quality and water 

shortage. T. F. Marhaba, R. Duvil 

10:35 56. Discovery of metal binding peptides 

in the blood of the blue mussel, 

Mytilus edulis and their potential role as a 

biomarker for metal contamination. 

R. S. Manmode, C. Malepati, D. K. Ryan 

10:55 57. Horseradish peroxidase mediated 

stabilization of 2,4-dichlorophenol in a 

model SOM-free soil. M. Paloma, 

A. Bhandari 

11:15 58. Mechanistic studies on the interaction 

of cactus mucilage with arsenic. 

D. I. Fox, T. Pichler, D. H. Yeh, 

N. A. Alcantar 

11:35 59. Transforming arsenic crisis into an 

economic enterprise: Example from Indian 

villages. S. Sarkar, A. Gupta, 



Section A 



Environmental Applications and 

Implications of Nanotechnology 

Environmental Applications Financially 

supported by Q-Sense, Division of Biolin 

Scientific 

C. Vecitis, Y. Jun, A. Gu, Organizers 

K. Chen, Organizer, Presiding 


8:35 60. Photocatalytic nanoparticles for 

water and surface disinfection. J. Kim 

9:15 61. Virus inactivation by photocatalytic 

nanoparticles. M. V. Liga, H. R. Jafry, 

C. Yu, E. L. Bryant, A. R. Barron, 

V. L. Colvin, Q. Li 

9:35 62. Role of filter surfaces in the removal 

of water contaminants by silver nanoparticles. 

S. A. Hooker, E. Mansfield, 

M. Stewart 

9:55 63. Reactive activated carbon impregnated 

with Fe/Pd nanoparticles: Innovative 

material development and PCB 

cleanup strategy. H. Choi,S.R.Al-Abed 






consent from ACS.


10:25 64. Label-free, ultrasensitive and selective 

detection of Trinitrotoluene (TNT) 

using NLO properties of L-Cysteine modified 

gold nanoparticle. S. S. Dasary, 

D. Senapati, A. Singh, A. Yerramilli, H. Yu, 

P. C. Ray 

10:45 65. Carbon nanotubes promote hydroxyl 

radical formation during ozonation. 

R. L. Oulton, M. Nalbandian, 

D. M. Cwiertny 

11:05 66. Converting visible light into UVC: 

Lanthanide upconversion nano-phosphors 

for light-activated biocidal surfaces. 

E. L. Cates,M.Cho,J.Kim 

11:25 67. Selective reduction of nitrate to dinitrogen 

in water utilizing photocatalytic 

nanocomposites. K. W. Doudrick, 

P. Westerhoff 

11:45 68. Carbon nanotube-based nanobiosensor 

for detection of pathogen DNA in 

the environment. C. Gao, Y. Liu, X. Li, 

A. Gu 

Section B 






Fate and Transport Cosponsored by COLL 

and GEOC 

E. Weber, T. Strathmann, J. Brandes, 

J. Texter, Organizers 

H. Zhang, Organizer, Presiding 


8:35 69. Influence of surface chemistry on 

the behavior of mutli-walled carbon nanotubes 

in aquatic environments. 

H. Fairbrother, B. Smith, K. Wepasnick, 

W. P. Ball 

9:05 70. Effects of oxide nanoparticles on 

bacterial surface biomolecules. W. Jiang, 

R. W. Vachet, B. Xing 

9:25 71. Influence of geochemical variables 

on nanoscale zerovalent iron (nZVI) longevity: 

Implications of particle aging for 

treatment applications. Y. Xie, 

D. M. Cwiertny 

9:45 72. Aggregation kinetics of fullerenesingle-walled 

carbon nanotube hybrids. 

N. Aich, N. B. Saleh 


10:20 73. Adsorption of organic compounds 

by engineered carbon nanoparticles. 

K. Yang, B. Xing 

10:50 74. Adsorption of benzene and 

phenanthrene on carbonaceous geosorbents. 

Y. Ran 

11:10 75. Partition of endosulfan and chlorpyrifos 

onto soil organic matter. 

M. K. Tiwari,S.Guha 

11:30 76. Sorption properties of tylosin on 

soil minerals. Q. Zhang, C. Yang, 

W. Huang, Z. Dang 


Section A 





Fate and Transport Financially supported by 

Q-Sense, Division of Biolin Scientific 

A. Gu, C. Vecitis, K. Chen, Organizers 

Y. Jun, Organizer, Presiding 


1:35 77. Integrated approach toward understanding 

the environmental fate, transport, 

toxicity and occupational health 

hazards of metal and metal oxide nanoparticles. 

V. H. Grassian 

2:15 78. Investigation of health relevant 

physical and chemical properties of select 

engineered carbon nanomaterials. 

M. Lu, R. E. Agnew, M. E. Birch 

2:35 79. UV-induced surface modifications 

of silver nanoparticles in atmospheric and 

aqueous conditions. J. M. Gorham, 

R. I. MacCuspie, D. H. Fairbrother, 

R. D. Holbrook 

2:55 80. Evaluation of nano copper removal 

and toxicity in wastewaters. J. Smeraldi, 

G. Rajagopalan, T. Hosseini, L. Khatib, 

B. H. Olson, D. Rosso 


3:25 81. Impacts of water chemistry on 

nanoparticle stability and bioavailability 

for freshwater bacteria and algae. 

V. C. Reyes, C. Marambio-Jones, M. Li, 

E. M. Hoek, S. Mahendra 

3:45 82. Microscopic recognition of engineered 

nanomaterials using Kelvin probe 

force microscopy. Q. Yu,C.Na 

4:05 83. Environmental transformation of 

14 C-labeled multi-walled carbon nanotubes. 

L. Zhang, Q. Huang 

4:25 84. Influence of oxygen-containing 

functional groups and graphenic carbon 

on Zn[II] sorption by multiwall carbon 

nanotubes: Application of Two-Site Langmuir 

model. H. Cho, J. Yang, W. P. Ball 

4:45 85. Sorption of engineered nanomaterials 

to soils. K. D. Hristovski, E. Mousset, 

H. Luque, P. K. Westerhoff, J. D. Posner 

Section B 





General Environmental Catalysis 


M. Castaldi, M. Bekbolet, B. Wilhite, 

B. Zhou, Organizers 

A. Orlov, M. Flytzani-Stephanopoulos, 



1:35 86. Applications of photocatalysis and 

photovoltaic electrocatalysis for energy 

and environmental sustainability. 

M. R. Hoffmann 


2:40 87. Scanning tunneling microscopy/ 

spectroscopy study of the water-gasshift 

reaction on iron oxide supported 

gold nanoparticles. K. Rim,D.Eom, 

J. Raitano, S. Chan, 

M. Flytzani-Stephanopoulos, G. W. Flynn 

3:05 88. Model biomass conversion reactions 

on oxide surface: Ethylene glycol on 

CeO 2(111). T. Chen, F. C. Calaza, 

S. H. Overbury, D. R. Mullins 

3:30 89. Hierarchical porous catalysts tailored 

for biodiesel production. 

J. Dacquin, A. F. Lee, K. Wilson 


4:10 90. Catalyst deactivation and regeneration 

studies reforming ethanol/gasoline 

blends containing sulfur. A. Simson, 

M. Castaldi, R. Farrauto 

4:35 91. Controlling the surface dispersion 

ofBaOdomainsonNO x storage materials 

via TiO 2 anchoring sites. E. Ozensoy, 

S. Andonova, G. Senturk 

5:00 92. Computational design of multifunctional 

catalysts for efficient carbon dioxide 

and methane utilization. 

B. J. Sherman, N. A. Fine, C. S. Lo 

Section C 


Brewster 

Drinking Water Chemistry, Disease 

Prevention and Health Promotion Financially 

supported by Association of Environmental 

Engineering and Science Professors 

A. Dietrich, Organizer 

M. Edwards, Organizer, Presiding 


1:35 93. Nutritional and off-flavor aspects of 

metals in drinking water. A. M. Dietrich, 

P. Omur-Ozbek 

2:00 94. Drinking more water: An effective 

strategy for the prevention and treatment 

of obesity? B. M. Davy, E. A. Dennis, 

V. E. Hedrick, P. A. Estabrooks, 

A. M. Dietrich 

2:25 95. Effect of water chemistry on the release 

of lead and other contaminants 

from lead corrosion products to drinking 

water. E. Kim, J. E. Herrera 

2:50 96. Bromate formation during drinking 

water treatment using a hybrid ceramic 

membrane filtration – ozonation. 

M. Moslemi, S. H. Davies, S. J. Masten 


3:25 97. Metallic flavor perception and the 

effects of cancer therapies. S. Mirlohi, 

A. M. Dietrich, S. E. Duncan, G. J. Lesser 

3:50 98. Emotional and sensory response to 

iron in water using facial recognition and 

sensory evaluation methods. 

S. E. Duncan, L. S. Hightower, S. L. Fong 

4:15 99. Susceptibility of biofilm to disinfectants 

in the presence of disinfectant-demanding 

substrate. Z. Xue,Z.Wang, 

Y. Seo 

4:40 100. Impacts of heating on disinfection 

byproducts in municipal drinking water 

systems. D. A. Reckhow,B.Liu 


Environmental Chemistry Sponsored by 

CHED, Cosponsored by ENVR and SOCED 



Hall C 

Sci-Mix 

D. Dionysiou, Organizer 

8:00–10:00 

209, 210, 211, 215, 216, 217, 218, 219, 229, 

230, 232, 234, 235, 236, 237, 238, 239, 

240, 241, 243, 244, 246, 247, 249, 251, 

252, 253, 254, 255, 256, 257, 259, 260, 

262, 263, 266, 267, 268, 269, 270, 272, 

274, 275, 276, 277, 279, 280, 282, 285, 


listings. 


Section A 







A. Gu, C. Vecitis, K. Chen, Organizers 

Y. Jun, Organizer, Presiding 


8:35 101. Aggregation of titanium dioxide 

nanoparticles: The role of environmentally-relevant 

surface coatings. 

R. D. Holbrook,K.K.Vu 

8:55 102. Aggregation and sedimentation of 

titanium dioxide nanoparticles in aqueous 

environment: Effects of crystallinity and 

morphology. X. Liu,G.Chen,C.Su 

9:15 103. Transport and retention of TiO 2 

nanoparticles in saturated porous media: 

Role of ionic strength, valence, and humic 

acid. G. Chen, X. Liu, C. Su 

9:35 104. Aggregation kinetics of silver nanoparticles 

in monovalent and divalent electrolyte 

solutions: Implications for environmental 

fate and transport. K. Huynh, 

K. Chen 

9:55 105. Transport of MWCNTs in porous 

media and their effect on Ni(II) transport. 

J. Yang, J. L. Bitter, H. Fairbrother, 

W. P. Ball 

10:15 106. Coated nanoparticle transport: 

Does the underlying particle play a role? 

E. M. Hotze,S.Lin,S.Chae, 

M. R. Wiesner, G. V. Lowry 


10:45 107. Gold nanoparticle interactions 

with humic acid: Role of nanoparticle 

core size effects. V. L. Pallem, 

H. A. Stretz, M. J. Wells, X. Ma, 

D. Bouchard 

11:05 108. Effect of attached-phase NOM 

and solution chemistry on the deposition 

rate of nC60. C. P. McNew, 

E. J. LeBoeuf, Y. Li 

11:25 109. Filtration of anisotropic and hybrid 

nanomaterials. N. B. Saleh, 

N.Afrooz,N.Aich,I.A.Khan 

11:45 110. Aggregation and transport of 

carboxymethyl cellulose-modified zerovalent 

iron nanoparticles in porous media. 

T. Raychoudhury, N. Tufenkji, 

S. Ghoshal 

12:05 111. Stabilization and size control of 

zerovalent iron nanoparticles using carboxyl- 

and phosphate-functionalized 

compounds. L. F. Greenlee 

Section B 





General Environmental Catalysis 


A. Orlov, M. Flytzani-Stephanopoulos, 

M. Bekbolet, B. Zhou, Organizers 

M. Castaldi, B. Wilhite, Organizers, 

Presiding 


8:35 112. Heterogeneous catalysis for sustainable 

energy. S. Perathoner, G. Centi, 

P. Lanzafame 

9:20 113. Dispersed calcium oxide as a reversible 

CO 2 sorbent at intermediate temperatures 

for sorption enhanced H 2-production. 

P. Gruene, R. J. Farrauto, 

M. J. Castaldi 

9:45 114. Design of nanostructured Au/ 

Fe 3O 4 catalysts with high stability and 

activity for hydrogen production. 

S. Goergen, B. Ricks, P. Wu, 

M. Flytzani-Stephanopoulos 


10:30 115. Preferential oxidation of CO on 

Pt: Regimes of operation. F. Barrai, 


10:55 116. Surface oxygen promoted reactions 

of methanol over gold supported on 

ZnO and CeO 2 “nano-shapes”. 

M. B. Boucher, N. Yi, B. Zugic, R. Si, 

H. Saltsburg, 


11:20 117. Autothermal reforming of JP8: 

Catalyst aging and impacts of sulfur on 

catalyst activity. N. Klinghoffer, 


11:45 118. Catalytic decarboxylation of butyric 

acid to propane. B. Zugic, 


12:10 119. Facile approaches for controlled 

assembly of viral-templated palladium 

nanocatalysts for dichromate reduction. 

C. Yang, A. K. Manocchi, B. Lee, H. Yi 





ENVR 

TECH–49


Section C 


Brewster 

Mining Waste: Geochemistry, Treatment, 

and Beneficial Reuse 

S. Al-Abed, Organizer 

R. Brennan, Organizer, Presiding 


8:35 120. Oxic and anoxic tailings slurry aging 

studies at the Hope Bay Project, Nunavut. 

T. Wildeman, C. Bucknam, 

K. Murphey 

8:55 121. Use of acid mine drainage in management 

of flowback water from Marcellus 

shale hydrofracturing. E. Barbot, 

M. Li, M. Henrikson, J. Peng, K. Gregory, 

R. D. Vidic 

9:15 122. Use of mine water as alternative 

makeup water in cooling systems: Issues 

with excessive mineral scaling. H. Li, 

D. Dzombak, R. Vidic 

9:35 123. Modified humidity cell testing program 

for the prediction of acid rock drainage. 

S. P. Sunkavalli, E. M. Trujillo, 

P. Evans, D. Garcia, S. Kaiser 

9:55 124. Remedial technologies for mine 

wastes: An ITRC web-based guidance. 

P. Eger, C. Baysinger, S. Hill 


10:25 125. Silver mining, ore beneficiation 

and recycling, and land reclamation. 

J. R. Ellis 

10:45 126. Electrode-based remediation of 

U(VI)-contaminated acidic subsurfaces. 

J. Peng,K.B.Gregory 

11:05 127. Utilization of a sustainable resource 

to remediate high-strength mineimpacted 

water from a local abandoned 

mine: Crab-shell column study. 

J. A. Grembi, B. A. Sick, R. A. Brennan 

11:25 128. Activated iron solids treatment of 

mine drainage: A heterogeneous ferrous 

iron oxidation process. J. M. Dietz 

11:45 129. Heavy metal removal from mine 

impacted water using chitin. P. X. Pinto, 

S. Al-Abed, D. Reisman 


Section A 





Biological Interactions Financially supported 

by Q-Sense, Division of Biolin Scientific 

A. Gu, C. Vecitis, Y. Jun, Organizers 

K. Chen, Organizer, Presiding 


1:35 130. Sulfidation eliminates bactericidal 

effects of silver nanoparticles to Escherichia 

coli. Z. Li, B. C. Reinsch, R. Ma, 

K. B. Gregory, G. V. Lowry 

1:55 131. Role of nanoparticle geometry on 

nano-bio interaction: A quest to separate 

physics from chemistry. A. Afrooz, 

Q. Zaib, A. W. Decho, N. B. Saleh 

2:15 132. Is NMs uptake by algae possible? 

Evidence of titanium dioxide nanomaterials 

uptake by the cyanobacteria 

Anabaena variabilis. C. Cherchi,A.Z.Gu 

2:35 133. Antimicrobial effect of silver nanoparticles 

on bacterial biofilms. H. Park, 

E. Bae, J. Yi, J. Yoon 

2:55 134. Synthesis, properties, and antimicrobial 

activities of manganese oxide 

nanoparticles. A. Rutz, Y. Jun 


50–TECH 


3:25 135. Ohshima’s soft particle analysis 

for estimating thickness of lipopolysaccharide 

and peptidoglycan on bacteria 

cell walls. T. Phenrat, A. Karamalidis, 

R. D. Tilton, G. V. Lowry 

3:45 136. Interaction of nanoparticles with 

biofilms. E. Sahle-Demessie, H. Tadesse 

4:05 137. Uptake and transport of quantum 

dots by protozoa in the presence and absence 

of bacteria. S. G. Berk, 

J. T. Payne, M. J. Wells 

4:25 138. MS2 coliphage inactivation by 

nanoparticulate zero-valent iron and ferrous 

ion. J. Kim, C. Lee, D. C. Love, 

D. L. Sedlak, K. L. Nelson, J. Yoon 

4:45 139. Toxicity mechanism of carbon 

nanomaterials. N. Gou, 

A. Onnis-Hayden, A. Z. Gu 

Section B 





Photocatalysis Cosponsored by CATL 


A. Orlov, B. Wilhite, B. Zhou, M. Castaldi, 

M. Flytzani-Stephanopoulos, Organizers 

M. Bekbolet, Organizer, Presiding 


1:35 140. Effect of molecular structure on 

the photocatalytic oxidation of multicomponent 

gas-phase mixtures. 

M. E. Zorn, S. O. Hay, M. A. Anderson 

1:55 141. Visible light photoreduction of 

CO 2 using CdSe/Pt/TiO 2 heterostructured 

catalysts. C. Wang, R. Thompson, 

J. Baltrus, C. Matranga 

2:15 142. Photocatalytic destruction of 

methyl t-butyl ether (MTBE) and 1,4-dioxane 

and other water soluble ethers using 

visible light. R. D. Barreto,D.Wood 

2:35 143. Air pollution removal by photocatalytic 

process. O. Zahraa 

2:55 144. Environmental photocatalysis: Exploring 

nanonometer and sub-nanometer 

particles to enhance the activity. 

A. Orlov, S. Zhao, G. Ramakrishnan, 

P. Shen, W. Han 


3:30 145. Highly efficient nanocrystalline 

visible light-activated TiO 2 films by modified 

sol-gel methods for sustainable 

“green” applications. M. Pelaez, 

P. Falaras, V. Likodimos, A. G. Kontos, 

A. A. de la Cruz, D. D. Dionysiou 

3:50 146. Hybrid adsorption-photocatalysis 

of organic pollutants with bifunctional 

TiO 2/AC composite under solar light: Prospective 

applications in water treatment 

and reclamation. T. Lim, P. Yap, M. Lim, 

S. Madhavi 

4:10 147. Absorption spectra of visiblelight-active 

TiO 2 specimens in the visible 

spectral domain. A. Emeline, 

V. N. Kuznetsov, V. K. Ryabchuk, 

N. Serpone 

4:30 148. Degradation C.I. Direct Yellow 9 

by heterogeneous oxidation processes 

using UV irradiation and ultrasound. 

Z. Eren, N. H. Inceb, F. N. Acarc 

4:50 149. Quantification of photoreactivity in 

nanostructured TiO 2 using EPR spin trap 

methods. S. S. Watson, I. Tseng, 

B. Pellegrin 


Section C 


Brewster 

C. Ellen Gonter Environmental Chemistry 

Awards Symposium 

T. Anderson, Organizer, Presiding 


1:35 150. Toxic metal sensing through pH 

changes using a novel hybrid sorbent 

material. P. K. Chatterjee, 


2:00 151. Reduction rate constants for nitroaromatic 

compounds estimated from 

one-electron reduction potentials. 

K. L. Phillips, P. C. Chiu, S. I. Sandler 

2:25 152. Monitoring of 14 C-estradiol to determine 

the role of abiotic processes in 

the removal of estrogens during wastewater 

treatment. R. Marfil-Vega, 

M. T. Suidan, M. A. Mills 

2:50 153. Chlorine monoxide (Cl 2O) and molecular 

chlorine (Cl 2) as active chlorinating 

agents in reaction of dimethenamid with 

aqueous free chlorine. J. D. Sivey, 

C. E. McCullough, A. L. Roberts 


3:35 154. Fate of PCB congeners in an industrial 

harbor of Lake Michigan. 

A. Martinez, K. Wang, K. C. Hornbuckle 

4:00 155. Factors affecting stereoselective 

biotransformation of chiral polychlorinated 

biphenyls (PCBs) by cytochrome 

P-450 enzymes. Z. Lu, C. S. Wong 

4:25 156. Mechanisms of interaction between 

humic acid and hydrophobic CdSe 

quantum dots facilitating the partitioning 

into aqueous phase. D. G. Navarro, 

D. S. Aga, S. Banerjee, D. F. Watson 


Section A 





Biological Interactions Financially supported 

by Q-Sense, Division of Biolin Scientific 

C. Vecitis, K. Chen, Y. Jun, Organizers 

A. Gu, Organizer, Presiding 


8:35 157. Aggregation behavior of carbonbased 

nanomaterials in aquatic environments: 

Implications for transport and 

bacterial cytotoxicity. M. Elimelech 

9:15 158. Palladium nanoparticle formation 

by Citrobacter: Effective catalysts for diatrizoate 

removal. T. Hennebel, 

S. De Corte, D. Van der Lelie, J. Fitts, 

N. Boon, W. Verstraete 

9:35 159. Production of Au(0)-nanoparticles 

by Shewanella oneidensis after fast biosorption 

and slow reduction of Au(III). 

S. De Corte, T. Hennebel, S. Verschuere, 

C. Cuvelier, W. Verstraete, N. Boon 

9:55 160. Bioaccumulation of 14 C 60 by the 

earthworm Eisenia foetida. D. Li, 

C. Chen, D. R. Johnson, P. J. Alvarez 


10:25 161. New nanotoxicity assessment index 

links multidimensional toxicogenomics 

to regulatory ecotoxicology. N. Gou, 

A. Onnis-Hayden, A. Z. Gu 

10:45 162. Copper oxide nanoparticles 

(CuO NPs) induce oxidative DNA damage 

in plants. D. H. Atha, H. Wang, 

E. Petersen, A. Dillon, B. Xing, P. Jaruga, 

M. Dizdaroglu, B. C. Nelson 

11:05 163. Influence of phenotypic variation 

of bacteria on the toxicity of titanium dioxide. 

C. Hessler,Y.Seo 

11:25 164. Effects of surface charge on the 

partitioning of gold nanorods in saline estuarine 

mesocosms. J. L. Ferry, 

R. L. Frey, J. M. Burns, T. J. Shaw, 

C. J. Murphy, P. Sisco, A. W. Decho, 

G. T. Chandler, P. Pennington, M. Fulton 

11:45 165. Effect of titanium dioxide nanomaterials 

on nitrogen fixation rate and on 

N-storage dynamics of the blue-green algae 

Anabaena variabilis. C. Cherchi, 

A. Z. Gu 

Section B 



Black Carbon as Geosorbent and Beyond: 

Contaminant Sorption, Soil Fertilization, 

and Carbon-Negative Strategy 

Probing Black Carbon Structure, Reactivity, 

and Sorptivity Cosponsored by GEOC 

J. Brandes, Organizer 

S. Uchimiya, J. Pignatello, J. Lehmann, 



8:35 166. Complexity of aromatic carbon in 

biomass-derived black carbon (biochar): 

Implications for molecular structure and 

sorptive interactions. M. Keiluweit, 

P. S. Nico, M. G. Johnson, M. Kleber 

9:05 167. Characterization of charcoal using 

advanced solid-state NMR. J. Mao, 

J. J. Pignatello, J. Lehmann, M. Chappell 

9:35 168. Concentration dependency of 

PAH sorption in sediment-water systems: 

Enhanced sorption at low sorbate levels 

or physical occlusion? D. T. Kuo, 

P. M. Gschwend 


10:25 169. Sorption of bisphenol A, 17�ethinyl 

estradiol and phenanthrene by 

biochars obtained by thermal and hydrothermal 

methods. K. Sun,K.S.Ro, 

M. Guo, B. Xing 

10:45 170. Sorption properties of 1,3,5-trichlorobenznene 

on geosorbents. 

C. Yang, W. Huang, Z. Dang 

11:05 171. Unexpected adsorption behavior 

of a polar ionizable compound (sulfamethazine) 

on black carbon (biochar). 

J. J. Pignatello, M. Teixido-Planes, 

M. Granados, J. L. Peccia 

Section C 



Emerging Applications in Membrane 


Innovations in Materials Development and 

Gas Separations 

I. Escobar, Organizer 

B. Van der Bruggen, Organizer, Presiding 


8:35 172. Acceleration of materials design of 

hydrogen separation membrane alloys. 

R. Hu, M. Gao, &. Dogan, B. Howard, 

B. Morreale 

8:50 173. On tailoring the size and charge 

selectivity of thin film composite nanofiltration 

membranes based on PAN-g-PEO 

comb copolymers. N. Lovell,A.Mayes 

9:05 174. Organic membranes from painted 

latex films. J. Texter 

9:20 175. Functional nanotube membranes 

for hydrophobicity-based separations by 

initiated chemical vapor deposition 

(iCVD). A. Asatekin,K.K.Gleason 

9:35 176. Influence of fermentation by-products 

on the isolation of ethanol from fermentation 

broths using pervaporation. 

S. Chovau, B. Van der Bruggen, 

A. J. Straathof, S. Gaykawad 

9:50 177. Ionic liquid membranes for CO 2 

separation. C. R. Myers,D.R.Luebke, 

K. J. Champagne, D. Sorescu, C. Tang, 

W. Shi 







consent from ACS.

10:20 178. Solubility and diffusivity of small 

molecules in thermally rearranged orthofunctional 

polyimides for gas separations. 

Z. P. Smith, D. Sanders, C. Ribeiro, 

B. D. Freeman, D. Paul 

10:35 179. Perfluorocyclobutyl (PFCB) polymers: 

Basolite ® Z1200 Mixed-Matrix 

Membranes (MMMs) for gas separation 

applications. G. D. Kalaw, K. J. Balkus, 

I. H. Musselman, J. P. Ferraris 

10:50 180. Carbon dioxide sorption properties 

of octahedral molecular sieves with 

manganese based framework composition. 

L. Espinal, C. R. Snyder, C. Chiu, 

L. A. Bendersky, W. Wong-Ng, 

M. L. Green, A. E. Espinal, H. F. Garces, 

S. L. Suib 

11:05 181. Hollow fiber membranes for carbon 

dioxide separation from flue gas and 

landfill gas: Experimental and modeling 

studies. J. R. Du, G. J. Francisco, 

P. Kundu, A. Chakma, X. Feng 

11:20 182. Pre-combustion fuel decarbonization 

with high temperature H 2 separation 

membranes. E. Engwall, 

J. Saukaitis, A. Del Paggio 

11:35 183. Grafting monomers for improved 

protein resistance with high throughput 

atmospheric plasma. M. Gu, J. C. Kilduff, 

G. Belfort 



Section A 







A. Gu, K. Chen, Y. Jun, Organizers 

C. Vecitis, Organizer, Presiding 


1:35 184. Oxidation of carbon nanotubes: 

Influence on interparticle forces and release 

rates. H. Fairbrother, 

K. Wepasnick, B. Smith, M. Bevan, 

S. Eichmann 

2:15 185. Systematic change in chirality affects 

aggregation kinetics of singlewalled 

carbon nanotubes. I. A. Khan, 

P. L. Ferguson, T. Sabo-Attwood, 

N. B. Saleh 

2:35 186. Influence of solution chemistry on 

the deposition kinetics of oxidized multiwalled 

carbon nanotubes on silica surfaces. 

P. Yi, K. Wepasnick, B. Smith, 

H. Fairbrother, K. Chen 

2:55 187. Phase distribution of 14 C-labeled 

multi-walled carbon nanotubes in aqueous 

systems containing model solids. 

L. Zhang, Q. Huang 

3:15 188. Alkyne-assisted carbon nanotube 

synthesis improves growth rate, yield, 

and quality while reducing costs and environmental 

impacts. D. L. Plata, 

E. R. Meshot, C. M. Reddy, A. Hart, 

P. M. Gschwend 


3:45 189. Occurrence and fate of engineered 

nanomaterials in wastewater 

treatment plants. M. A. Kiser, 

P. K. Westerhoff, H. Ryu, T. Benn 

4:05 190. Characterization of drinking water 

for naturally occurring and synthetic 

nanoparticles. E. A. Abdalla,G.Gagnon 

4:25 191. Effects of natural organic matter 

on stability, transport and deposition of 

engineered nanoparticles in porous media. 

E. Sahle-Demessie, Z. Li, G. Sorial 

4:45 192. Water-nanoparticle interactions: 

Effects of solution chemistry on n-Ag in 

aquatic systems. J. McLaughlin, 

T. H. Boyer, K. Powers, J. J. Bonzongo 

5:05 193. Impact of sunlight and humic acid 

on the aggregation kinetics of nC 60. 

X. Qu, Y. Hwang, Q. Li 

Section B 







and Sorptivity Cosponsored by GEOC 

J. Lehmann, J. Pignatello, S. Uchimiya, 

J. Brandes, Organizers 

G. Cornelissen, Presiding 


1:35 194. Deciphering the chemical properties 

of pyrogenic carbon: Exposing a 

range of biochars to a range of characterization 

methods. A. R. Zimmerman, 

G. N. Kasozi, A. Mukherjee 

2:05 195. Sorption of pyrene to biologically, 

chemically and physically altered black 

carbons with and without soil. S. Hale, 

H. Arp, M. Elmquist, T. Henriksen, 

T. Hartnik, J. Lehmann, K. Hanley, 

G. Cornelissen 

2:35 196. Greenhouse gas sink or health 

risk? Assessing the fate of polycyclic aromatic 

hydrocarbons (PAHs) in biochar 

within the plant-soil system. 

S. Rangecroft, T. DeLuca, B. Emmett, 

D. Jones 


3:25 197. Comparison of nonpolar organic 

compounds and divalent metallic ions 

sorption with carbonaceous materials. 

H. Cho, J. Yang, W. P. Ball 

3:45 198. Metal interactions at the biocharwater 

interface: Energetics and composition-sorption 

relationship elucidated by 

flow adsorption micro-calorimetry. 

O. R. Harvey, B. E. Herbert, R. D. Rhue, 

L. Kuo 

4:05 199. Black carbon mediates reductive 

dehalogenation and nitro reduction reactions. 

S. Oh, J. Son, P. C. Chiu 

4:25 200. Black-carbon mediated destruction 

of nitroglycerin and RDX by hydrogen 

sulfide: Relevance to in situ remediation. 

W. Xu, K. Dana, W. Mitch 

Section C 





Session in Honor of Benny D. Freeman 

B. Van der Bruggen, I. Escobar, Organizers 

G. Lipscomb, Presiding 

1:30 201. Hollow fiber membrane spinning. 

G. Lipscomb 

2:00 202. Temperature effects on solubilityselective 

membranes. X. Wang, 

T. C. Merkel, B. D. Freeman, 

I. C. Sanchez 

2:30 203. Polymer membrane design with 

high internal free volume for gas separation. 

H. Park,Y.Cho 

3:00 204. Separation of aromatic/aliphatic 

mixtures by pervaporation using orthofunctionalized 

polyimide membranes. 

C. P. Ribeiro, B. D. Freeman 

3:30 205. Understand the real upper bound 

for CO 2/CH 4 separation. H. Lin, 

A. Serbanescu-Martin, M. Zhou, 

T. Merkel 

4:00 206. Understanding the effect of ion 

exchange on water and salt transport 

properties of a highly-charged sulfonated 

pentablock copolymer. G. M. Geise, 

B. D. Freeman, D. R. Paul 

4:30 207. Advances in polymer membranes 

for water purification. B. D. Freeman 



Section A 


Hall C 


D. Dionysiou, Organizer 

6:00–8:00 

208. Ambient levels of persistent and emerging 

air contaminants at Acadia National 

Park. J. J. Pagano, C. M. Alexander 

209. Imprinted polymers for the removal of 

hydrophilic arsenic complexes from water. 

R. T. Perera, A. Mueller 

210. Experimental study of concentrated 

brine in SO 2 removal. X. Li 

211. Levels of selected heavy metals in New 

Jersey sanitary biosolids that are used as 

fertilizer. T. Tongesayi, P. Dasilva, 

K. Dilger, T. Hollingsworth 

212. Investigation on the enhanced stability 

of CO 2 hydrate in Ulleung-basin sediment 

suspension. K. Lee,W.Lee 

213. Tar reforming with catalyst and plasma. 

S. Roh, D. Lee, J. Lee, S. Keel,W.Kim 

214. Preparation of carbon and sulfur doped 

TiO 2 by sol-gel method for drinking water 

treatment under visible light. C. Han, 

M. Pelaez, V. Likodimos, A. G. Kontos, 

P. Falaras, D. D. Dionysiou 

215. New instrument for biogeochemical 

monitoring: AIS Micro-Observatory. 

D. B. Nuzzio 

216. Effects of air pollutants on the environmental 

health risk assessment of Gyeongju 

and Pohang in South Korea. 

J. Jung,B.Shon,K.Yoo 

217. Real-time simultaneous measurement 

of diesel vehicle exhaust with laser ionization 

mass spectroscopy. H. Yamada 

218. Enhanced solubilization and biodegradation 

of hexane by nonionic surfactant. 

Z. Wei, C. M. Hessler, G. Sorial, Y. Seo 

219. Size estimation and kinetics of formation 

for nanoparticles of sulfide with copper 

and zinc. R. Braczyk, S. M. Theberge 

220. Enhanced crystallinity of a carbon 

nanotube-based biosensor for monitoring 

microcystin-LR. C. Han, A. Doepke, 

W. Cho, A. D. de la Cruz, 

W. R. Heineman, H. B. Halsall, 

V. N. Shanov, M. J. Schulz, V. Likodimos, 

P. Falaras, D. D. Dionysiou 

221. Surface characterization of fouled PVDF 

based hollow fiber membranes used in 

drinking water treatment. J. E. Tobiason, 

A. Nguyen 

222. Characteristics and applications of controlled 

release permanganate gel for 

groundwater remediation. P. R. Olson, 

E. Lee, U. Solpuker, F. W. Schwartz, 

Y. Kim 

223. Influence of bacterial extracellular polymeric 

substances (EPS) on biosorption of 

natural organic matter in water distribution 

system. Z. Wang, Z. Xue, Y. Seo 

224. Development of degradation agent and 

field test assessment for oil contaminated 

soil using modified peat moss and organic 

sludge. J. H. Suh, J. Y. Lee, 

C. H. Lee 

225. Determination of organochlorine pesticides 

and polychlorinated biphenyls in 

sediment slurry using GC-ECD and GC- 

EI-MS after the hollow fibre-liquid phase 

microextraction. T. A. Msagati 

226. Basic characteristics of in-furnace 

deSOx in oxy-PC combustion field. 

J. Yun, S. Keel, T. Min,J.Lee 

227. Inactivation of E. coli endotoxin by softhydrothermal 

processing. T. Miyamoto, 

N. Kasai, S. Okano 

Section B 


Hall C 



and Carbon-Negative Strategy Cosponsored 

by GEOC 

J. Brandes, S. Uchimiya, J. Pignatello, 

J. Lehmann, Organizers 

6:00–8:00 

228. Role of black carbon on the sorption of 

dioxins and furans in sediments from 

Newark Bay, New Jersey. 

M. K. Lambert, C. Friedman, J. Sullivan, 

R. Lohmann 

229. Reduction of Cr(VI) by chars derived 

from cellulose and lignin. S. Wang, 

Y. Chang, J. Lee 

230. Remediation of heavy metal contaminated 

soil with activated carbon. 

D. Rehrah 

231. Comparison of volatile chlorinated organic 

chemical sorption to black carbon 

and black shale. S. Choung, 

R. M. Allen-King 

232. Simple index for assessing the potential 

environmental stability of plant-derived 

biochars. O. R. Harvey 

233. Biochar soil amendment: Impact of soil 

types on heavy metal sorption-desorption 

behaviors and repeated nutrient leaching. 

M. Uchimiya, I. M. Lima, K. T. Klasson, 

L. H. Wartelle 

234. Characterization of solvent-extractable 

PAHs isolated from biochar produced 

from wood and grass over a range of pyrolysis 

temperatures. F. G. Prahl, 

M. Keiluweit, M. A. Sparrow, M. Kleber 

235. Reactive activated carbon impregnated 

with iron nanoparticles as a new environmental 

risk management option for contaminated 

sites. H. Choi, S. R. Al-Abed 

236. Black carbon and sorption of PAHs in 

natural fire-impacted sediments from Oriole 

Lake (CA). J. Sullivan, R. Lohmann, 

K. Bollinger, J. King, M. Cantwell, T. Caprio 

Section C 


Hall C 



F. Rosario, D. Dionysiou, S. Mezyk, 

Organizers 

6:00–8:00 

237. Degradation of Reactive Red 195 azo 

dye by advanced oxidation processes. 

G. Genc 

238. Treatment of statin pharmaceuticals by 

advanced oxidation processes: Kinetic 

considerations and destruction mechanism. 

W. J. Cooper, B. Razavi, W. Song 

239. Removal of musk ketone and musk xylene 

from reclaimed wastewater using 

radical reactions. C. M. Hirsch, 

S. P. Mezyk 

240. Radical chemistry of chloramine in waters 

intended for reuse. G. McKay, 

S. P. Mezyk 





ENVR 

TECH–51


Section D 


Hall C 

Drinking Water Chemistry, Disease 

Prevention and Health Promotion Financially 

supported by Association of Environmental 

Engineering and Science Professors 

A. Dietrich, Organizer 

6:00–8:00 

241. Monitoring of biofilm by conducting 

polymer based sensor. T. Kim,J.Kang, 

K. Shin, J. Jang, J. Yoon, J. Choi 

242. Mechanistic insights into the inactivation 

of influenza viruses by antimicrobial 

hydrophobic polycationic coatings. 

B. B. Hsu, A. M. Klibanov 

243. Preventing and controlling pollution of 

electrolytic manganese industries and establishing 

a human healthy society. 

N. Duan, L. Jiang 

244. MST by using qRT-PCR to appraise the 

potential exposure to waterborne pathogens. 

M. O. Ryan,C.N.Haas 

245. Inactivation of microorganisms by Fenton’s 

reagent. J. Y. Kim, C. Lee, 

D. L. Sedlak, K. L. Nelson, J. Yoon 

Section E 


Hall C 



I. Escobar, B. Van der Bruggen, Organizers 

6:00–8:00 

246. Fouling-tolerant membrane surface engineering 

for water purification and desalination 

applications. Y. Cho, H. Park, 

J. Shim 

247. Theoretical study for the integration of 

the Pd-based water gas shift membrane 

reactors into the IGCC plants. R. Koc, 

N. K. Kazantzis, Y. H. Ma 

Section F 


Hall C 


Implications of Nanotechnology Financially 


Scientific 

C. Vecitis, K. Chen, Y. Jun, A. Gu, 

Organizers 

6:00–8:00 

248. Size distribution and concentration signatures 

of nanoparticles and associated 

metals in indoor air. J. Niu, 

P. E. Rasmussen, B. G. Fraser 

249. Dissolution-accompanied aggregation 

kinetics of silver nanoparticles. X. Li, 

J. J. Lenhart, H. W. Walker 

250. Effect of humic acid on the stability of 

TiO 2 and ZnO nanoparticles in water. 

Y. Tseng, Y. Shih,S.Wu 

251. Fate and transport of zinc oxide nanoparticles 

in porous media in the presence 

of naturally occurring organic ligands. 

E. H. Jones,C.Su 

252. Effects of abiotic factors on silver nanoparticle 

uptake into Escherichia coli:Humic 

acid and salinity. E. Bae, H. Park, 

J. Yoon, J. Yi 

253. Elimination of the toxicity of singlewalled 

carbon nanotubes on a model 

aquatic organism through the manipulation 

of suspension preparation methods. 

S. Youn, K. J. Ziegler, J. J. Bonzongo 

254. Interactions between bacteria and silver 

nanoparticles with biodegradable coatings. 

D. M. Aruguete,B.Kim,Y.Cheng, 

J. Liu, M. F. Hochella 

52–TECH 


255. Influence of stabilized magnetite nanoparticles 

on bacterial survival and growth 

in natural waters. K. F. Starr, Y. Feng, 

Q. Liang, D. Zhao 

256. Stabilization of nanoscale zerovalent 

iron (nZVI) with green tea. B. Jung, 

B. E. Sleep, D. M. O’Carroll 

257. Aqueous suspension methods of carbon-based 

nanomaterials and biological 

effects on model aquatic organisms. 

V. Llaneza, J. Gao, J. McLaughlin, 

K. Ziegler, J. J. Bonzongo 

258. Sorption of non-polar organic vapors on 

silica- and carbon-based engineered 

nanomaterials. D. Ramirez, 

N. Facundo Torres 

259. Nitrogenation of multi-walled carbon 

nanotubes. J. L. Bitter, H. Fairbrother 

260. Effect of water chemistry on disinfection 

performance of silver nanoparticles. 

H. Zhang, V. O. Craver 

261. Inhibition and gene expression of Nitrosomonas 

europaea cells exposed to silver 

nanoparticles in various aqueous chemistries. 

T. S. Radniecki, D. Stankus, 

J. Nason, L. Semprini 

262. Development of fumed-silica-supported 

nanostructured sorbent for CO 2 capture. 

E. Peduzzi, X. Ma, C. Song 

263. Separation and quantification of E. coli 

O157:H7 using magnetic bead-quantum 

dot nanoparticles. A. Son,G.Kim 

264. Temperature stability in quartz crystal 

microbalance studies. G. Coimbatore, 

M. Smith, A. Hoffarth, A. Gibson, 

G. Austin, S. Presley, G. P. Cobb 

265. Liquid phase deposition of nanostructured 

TiO 2 hybrid films as functionalized 

semiconducting electrodes. C. Yang, 

J. Zhang 

Section G 


Hall C 

Environmental Health Volatiles and 

Aerosols: Novel Direct Measurement 

Methods Relevant to Lung Disease 

B. Holmen, J. Hill, J. Peccia, Organizers 

6:00–8:00 

266. Chemistry in the earth’s atmosphere: 

Investigating ester formation in secondary 

organic aerosols by mass spectrometry. 

J. Delius,L.Müller, M. Reinnig, 

T. Hoffmann 

Section H 


Hall C 




A. Orlov, M. Castaldi, M. Bekbolet, B. 

Wilhite, M. Flytzani-Stephanopoulos, 

B. Zhou, Organizers 

6:00–8:00 

267. New solid base catalysts for biodiesel 

synthesis. J. M. Montero, K. Wilson, 

A. F. Lee 

268. Hierarchical nanoporous solid base catalysts 

for biofuels. J. Woodford, 

A. F. Lee, K. Wilson, J. Dacquin 

269. Continuous-flow gas-phase photocatalytic 

oxidation of acrylonitrile on sulphated 

TiO 2 and transient study of acrylonitrile 

photocatalytic degradation. 

S. Jõks, M. Kritsevskaja, S. Preis 

270. Catalytic reduction of nitric oxide with 

hydrogen by Pd/PVP in water. K. Kelley, 

J. R. Shapley 

271. Simultaneous observation of gas phase 

and surface species in photocatalytic reactions: 

The next generation of DRIFTS 

applications. G. Ramakrishnan, S. Zhao, 

A. Orlov 

272. Heterogeneous perchlorate reduction 

by a Mo-Pd/C catalyst. Y. Zhang, 

J. R. Shapley 

273. Preparation of characterization of highly 

active Ni catalyst supported on �-Al 2O 3 

for the steam reforming of glycerol. 

Y. Choi,N.Kim,J.Baek,J.Yi 

274. Novel applications of sub-nanometer 

noble metal particles for photocatalysis. 

S. Zhao, G. Ramakrishnan, P. Shen, 

W. Han, A. Orlov 

275. Thermogravimetric study of propane 

and propene steam reforming over NiO 

and PtRh catalysts. M. P. Kohn, 

M. J. Castaldi, R. J. Farrauto 

276. Rare earth oxysulfides as sulfur-tolerant 

catalysts for the high-temperature watergas 

shift reaction. I. Valsamakis, 


Section I 


Hall C 

Mining Waste: Geochemistry, Treatment, 

and Beneficial Reuse 

R. Brennan, S. Al-Abed, Organizers 

6:00–8:00 

277. Geochemical distribution of trace element 

concentrations in the vicinity of Boroo 

Gold Mine, Mongolia. E. Inam, 

S. Khantotong, K. Kim, 

B. Tumendemberel, S. Erdenetsetseg, 

T. Puntsag 

278. Remediation of manganese-bearing 

mine-impacted water using crab-shell 

chitin: Isolating the abiotic mechanisms 

of sorption and precipitation. 

M. Robinson-Lora, R. A. Brennan 

Section J 


Hall C 


Environmental Processes Cosponsored by 

COLL and GEOC 

E. Weber, T. Strathmann, J. Brandes, 

J. Texter, H. Zhang, Organizers 

6:00–8:00 

279. Spectroscopic and microscopic studies 

of weathering and decay in historic magnesian 

limestone. R. A. Walker, 

K. F. Giles, A. F. Lee, K. Wilson 

280. Bifunctional resin-supported Fe/Ni 

composites for catalytic elimination of trichloroethylene 

by simultaneous dechlorination 

and adsorption. W. Zhang 

281. Novel environmentally friendly approach 

to paint strippers based in interfacial 

mechanistic studies. J. H. Wynne, 

K. E. Watson, J. G. Lundin, 

J. P. Yesinowski 

282. Photochemistry of adsorbed nitrate on 

aluminum oxide particle surfaces. 

G. R. Rubasinghege, V. H. Grassian 

283. Episodic hydrogeochemical controls on 

lead and arsenic mobility at a former fertilizer 

manufacturing facility, New Jersey. 

J. L. deLemos, B. C. Bostick, 

W. D. Brady, G. O. Cadwalader, 

J. E. Vidumsky, M. F. DeFlaun 

284. Reactions involving dissolved Al and 

SiO 2: A comparison between amorphous 

silica and crystalline quartz. H. Van Atta, 

R. S. Maxwell, S. A. Carroll, 

J. R. Houston 

285. Polymer-based zirconium phosphate 

nanoparticles for lead retention: Effect of 

polymeric functional groups. Q. Zhang, 

B. Pan, W. Zhang, L. Lv, Q. Zhang 

286. Abiotic transformation of hormones exposed 

to Fe(III)-montmorillonite and nitrite. 

K. Xia,K.Verma 

Section K 


Hall C 

Sustaining Water Quality Cosponsored by 

ANYL Financially supported by Global 

Innovation Imperatives 

S. Ahuja, M. Larsen, W. Cooper, 

Organizers 

6:00–8:00 

287. New ocean contamination derived from 

marine debris plastics. F. Shionoya, 

H. Sato, Y. Kodera, S. Chung, O. Abe, 

N. Ogawa, Q. Che, K. Miyashita, T. Kusui, 

K. Saido 

288. Molecular detection and quantification 

of swine fecal contamination in the northeast 

Cape Fear River and Black River. 

A. Arfken, M. I. Haltom, M. A. Mallin, 

L. Cahoon, B. Song 

289. Dielectric barrier discharges plasma inactivation 

of Microcystis aeruginosa: Effects 

and mechanisms. G. Wang 

290. Effect of heavy metals on mineral surfaces 

and bacterial attachment. 

H. Zhang, M. Olson 

291. Drinking water: New adsorbentia for the 

removal and detection of polar organic 

chemicals. P. S. Bauerlein, T. L. ter Laak, 

P. de Voogt, B. van der Gaag, 

A. van Wezel 

292. Biogeochemical factors affecting mercury 

speciation in Long Island Sound. 

A. B. Schartup, P. Balcom, R. P. Mason, 

A. Hutchins 

293. Source water quality in the Monongahela 

River Basin. J. M. Wilson, 

J. M. VanBriesen 

294. Impact of CSO on water quality in urban 

streams. J. Bushey, A. Aragon-Jose, 

C. Perkins, M. Mendes, G. Ulatowski 

295. Statistical analysis of water chemistry 

parameters, land use patterns, and geology 

in the Kayaderosseras Creek watershed. 

J. A. Halstead, S. Kliman, 

D. de la Puente-Ranea, A. Cock-Esteb, 

A. Chaucer, K. Connolly, K. Marsella, 

C. W. Berheide 

296. Adsorption characteristics of copper 

ion with zeolite synthesized by coal fly 

ash. J. Y. Lee, J. H. Suh,C.H.Lee 

297. Influence of biofilm formation on pathogen 

removal in the riverbank filtration system. 

E. Boff,Y.Seo 


Section A 





Environmental Applications Financially 


Scientific 

A. Gu, K. Chen, Y. Jun, Organizers 

C. Vecitis, Organizer, Presiding 


8:35 298. Photochemistry and photophysics 

of semiconductor quantum dots: Effects 

of quantum confinement, defect states, 

doping, shape and morphology. 

M. R. Hoffmann 







consent from ACS.

9:35 300. Organic nanoparticles of metalloporphyrins 

as efficient catalysts for the 

selective oxidation of olefins under ambient 

conditions. A. Aggarwal,C.M.Drain 

9:55 301. Effect of cations on the reduction 

of pentachlorophenol by zerovalent bimetallic 

nanoparticles. Y. Su, M. Chen, 

Y. Shih 


10:25 302. Nanocomposites for removal of 

pollutants. A. K. Das, D. Norton, 

J. Dinglasan, N. Loukine, D. Anderson 

10:45 303. Application of nano-zerovalent 

iron (NZVI) for adsorption of antimony in 

shooting range soils: Characterization 

and Sb adsorption properties of NZVI. 

D. Amarasiriwardena, P. Dorjee, B. Xing 

11:05 304. Mercury removal from aqueous 

effluents using zerovalent iron: Effect of 

particle size and implications for wastewater 

treatment. J. Vernon, J. Bonzongo 

11:25 305. Iron oxide coated multiwall carbon 

nanotubes for the removal of arsenic 

from water. S. Addo Ntim, S. Mitra 

11:45 306. Development of silica-gel-supported 

polyethylenimine sorbent for CO 2 

capture. Z. Zhang, X. Ma, C. Song, 

Y. Wang 

Section B 






Utilization of Black Carbon Products in 

Agriculture, Environmental Remediation, 

and Other Applications Cosponsored by 

GEOC 




8:35 307. In situ sequestration of organics, 

metals, and carbon in contaminated sediments. 

U. Ghosh 

9:05 308. Modeling the mass transfer of hydrophobic 

organic pollutants in sediment 

after amendment with activated carbon. 

D. Werner,S.E.Hale 

9:25 309. Simultaneous removal of mercury(II) 

and PCBs by polysulfide-rubber(PSR)-coated 

activated carbon. 

E. Kim, R. G. Luthy 


10:15 310. Charcoal production: The state 

of the art. M. J. Antal, Jr 

10:45 311. Oil shale semicoke as a carbon 

source: Sorbent capacity, reactivity and 

entrained compounds as functions of pyrolysis 

temperature and shale origin. 

J. L. Goldfarb, B. Datangel, I. Kulaots 

11:05 312. Evaluation of chitosan coated 

granular activated carbon for treatment of 

perchlorate-contaminated munitions 

wastewater. V. M. Boddu, 

S. W. Maloney, D. S. Viswanath, 

T. K. Ghoash, S. M. Uchimiya 

11:25 313. Aqueous nanodispersions of hydrothermal 

carbon for environmentally 

friendly and sustainable combustion processes. 

J. Texter, R. Crombez, M. Titrici, 

F. Perez-Caballero, M. Antonietti 

Section C 





Advances in Membrane Materials and 

Liquid Separations 

I. Escobar, Organizer 

B. Van der Bruggen, Organizer, Presiding 


8:35 314. Preparation of biofouling-resistant 

RO membranes by the attachment of ceragenins. 

M. Hibbs, S. Altman, 

L. McGrath, H. Jones, Y. Feng, P. Savage 

8:50 315. Development of copper and silver 

charged polypropylene feed spacers for 

biofouling control. R. Hausman, 

T. Gullinkala, I. Escobar 

9:05 316. Quantitative emerging materials 

characterization techniques to anticipate 

membrane biofouling. A. M. Zaky 

9:20 317. N-isopropylacrylamide (NIPAAM) 

modified ultrafiltration membranes. 

C. Gorey, I. Escobar, G. Bothun 

9:35 318. Adsorptive fouling resistance of 

carbon nanotube blended polyethersulfone 

membranes. E. Celik, H. Choi 

9:50 319. Study of nanoparticle rejection using 

a tailor-made ultrafiltration polysulfone 

membrane. S. Hakim Elahi, 

I. C. Escobar 


10:15 320. Grafting binary monomers and 

solvent effects for improved protein resistance. 

Y. S. Ho, M. Gu, C. Kilduff, 

G. Belfort 

10:30 321. Hydrophilization of thin film composite 

membrane support layers for engineered 

osmosis applications. 

J. McCutcheon, J. Arena, N. Bui 

10:45 322. Surface functionalization of polybenzimidizole 

membranes to increase hydrophilicity 

and charge. B. Digman, 

I. C. Escobar, R. Hausman, M. Coleman, 

T. Chung 

11:00 323. Chiral signatures in passive samplers 

support a better understanding of 

transformation of contaminants in water. 

V. D. Dang,C.M.Lee 

11:15 324. Imprinted polymers and membranes 

for Cd 2� and Zn 2� removal from 

water. S. A. Ashraf, A. Mueller 

11:30 325. Reversible cation exchangemembrane 

(RCIX-MEM) process for scaling 

free, energy efficient desalination of 

seawater. S. Sarkar,A.K.SenGupta 



Section A 





General Papers Financially supported by 


C. Vecitis, K. Chen, Y. Jun, Organizers 

A. Gu, Organizer, Presiding 


1:35 326. Chemical reduction of hexabromocyclododecane 

by zerovalent iron 

nanoparticles. C. Tso, Y. Shih, C. Lin 

1:55 327. Removal of atrazine and trimethoprim 

by iron oxide nanoparticle-impregnated 

mesoporous carbon. Y. Kim 

2:15 328. Spectroscopic investigations of 

arsenic redox transformations by 

nanoscale zero-valent iron (nZVI). 

W. Yan, M. A. Ramos, X. Li, B. E. Koel, 

W. Zhang 

2:35 329. Transport of polysaccharide-stabilized 

iron nanoparticles in porous media: 

Effect of surface and solution chemistry. 

M. Zhang,D.Zhao 

2:55 330. Sequestration of malodorous sulfides 

with zero-valent iron nanoparticles. 

X. Li 


3:25 331. Effect of natural organic matter on 

the stability and mobility of polymercoated 

iron nanoparticles. B. Jung, 

B. E. Sleep, D. M. O’Carroll 

3:45 332. Development of carbon-based 

“molecular basket” sorbent for CO 2 capture 

from flue gas. D. Wang, C. Shalaby, 

X. Ma, C. Song 

4:05 333. Stability and mobility of metal oxide 

nanoparticles in porous media. 

C. Contreras, J. George, K. Paredes, 

H. J. Shipley 

4:25 334. Gold nanoparticle-based selective 

and ultrasensitive detection of iodide by 

SERS. S. S. Dasary, D. Senapati, 

A. Singh, T. Arbneshi, H. Yu, P. C. Ray 

4:45 335. Utilization of polymer cross-linkers 

to improve the thermal stability of “molecular-basket” 

sorbents. E. P. Fillerup, 

X. Wang, X. Ma, C. Song 

5:05 Best Graduate Student Presentation 

Awards 

Section B 






Fate and Function of Black Carbon in Soil 

and Sediment Cosponsored by GEOC 




1:35 336. Rapid screening of biochar products 

for soil functional attributes. 

S. P. Sohi, A. Cross, M. Borlinghaus 

2:05 337. Impacts of biochar additions on 

soil microbial processes and nitrogen cycling. 

K. A. Spokas 

2:35 338. Biochar: Mother Nature’s nanotechnology. 

R. S. Stein, H. S. McLaughlin 


3:25 339. Pyrogenic matter dynamics in the 

soil: Characterization, stabilization processes, 

C budget and effects on soil 

properties. S. Abiven, M. Schneider, 

N. Singh, B. Maestrini, M. Schmidt 

3:55 340. Biomass plant fly ash as a source 

of black carbon for amending agricultural 

soils. A. F. Carpenter 

4:15 341. Interactions of engineered soot to 

natural organic matter and extracellular 

polymeric substances: Resulting surface 

modification and field application. 

J. Lohwacharin, K. Oguma, S. Takizawa 

4:35 342. Biochar as a soil amendment: Soil 

Survey considerations for future management 

directions. C. A. Stiles, L. T. West, 

C. W. Smith, J. Gaskin 

Section C 



Environmental Health Volatiles and 

Aerosols: Novel Direct Measurement 

Methods Relevant to Lung Disease 

J. Hill, J. Peccia, Organizers 

B. Holmen, Organizer, Presiding 

1:30 343. Rapid detection of tobramycin impacts 

on Pseudomonas aeruginosa volatile 

organic compound production by 

SESI-MS. Y. Kuo,J.Hill 


1:55 344. Volatile signature of P. aeruginosa 

adaptation to the cystic fibrosis lung. 

H. D. Bean, Y. Kuo, J. Zhu, J. E. Hill 


2:20 345. Next-generation DNA sequencing 

reveals viral diversity in biosolids. 

K. J. Bibby, E. J. Viau, J. Peccia 



2:55 346. Airport air: What are we breathing? 

R. L. Vander Wal, V. M. Bryg, 

C. Hunag 


3:20 347. Preliminary investigation of traffic 

emissions in the vicinity of an inner city 

elementary school. B. Albrinck, M. Lu, 

J. Hu, C. Chaiwatpongsakorn, 

V. K. Nemalapuri, H. Wei 


3:45 348. Quantitative estimates of the volatility 

of ambient organic aerosol. 

C. D. Cappa, J. L. Jimenez 


4:10 349. Organic aerosol composition using 

a combined thermal desorption aerosol 

gas chromatograph (TAG) - high resolution 

time-of-flight aerosol mass 

spectrometer (HR-ToF-AMS). B. Williams, 

A. Lambe, J. Jayne, D. Worsnop, 

N. L. Ng, M. Canagaratna, L. Williams, 

J. Kimmel, D. Sueper, N. Kreisberg, 

S. Herring, D. Worton, A. Goldstein 


FUEL 

Division of Fuel 

Chemistry 

C. Liu, Program Chair 


Dinner, 6:30 PM: Tue 


Program Meeting, 2:00 PM: Sun 

Executive Council Meeting, 4:00 PM: 

Sun 

Business Meeting, 12:00 PM: Mon 


Section B 


Pacific Ballroom E 

Ionic Liquids in Sustainable Energy and 

Fuels 

CO2 Capture, Gas Absorption and 

Separations Cosponsored by I&EC 

W. Henderson, Organizer 

E. Maginn, Organizer, Presiding 

ENVR/FUEL 


8:40 1. Synthesis, characterization and performance 

of single-component CO 2binding 

organic liquids (CO 2BOLs) for 

post combustion CO 2 capture. 

P. K. Koech, D. J. Heldebrant, 

J. E. Rainbolt, F. Zheng, T. Smurthwaite 

9:00 2. Ab initio description of CO 2 interactions 

with anions in ionic liquids. 

J. A. Steckel,W.Shi 

9:20 3. Predicting CO 2 complexation in ionic 

liquids using reaction ensemble Monte 

Carlo. T. W. Rosch,E.J.Maginn 

9:40 4. Ionic liquid gas absorption of NO X, 

CO X and SO X. S. Saravanamurugan, 

J. Due-Hansen, S. Kegnæs, 

T. Grétarsdóttir, A. Riisager, 

R. Fehrmann 


10:10 5. Ionic liquids with aprotic heterocyclic 

anions for post-combustion CO2 

capture. B. Goodrich, S. Seo, L. Wilson, 

L. Ficke, M. Massel, D. Zadigian, 

J. F. Brennecke 

10:45 6. Origin of products in homogeneous 

CO hydrogenation reactions. J. H. Blank, 

D. J. Cole-Hamilton 

11:20 7. Separation of ethanol from water 

using phosphonium-based ionic liquids. 

C. M. Neves, M. G. Freire, J. A. Coutinho 





TECH–53

FUEL TECHNICAL PROGRAM 

Section C 


Brewster 

Non-thermal Plasma Assisted Fuel 

Conversion for Green Chemistry 

General Future Fuel Issues 

A. Gutsol, T. Nozaki, Organizers, Presiding 


8:35 8. Acidity analysis of HZSM-5 zeolite 

prepared using plasma template removal 

via dielectric barrier discharges. Y. Liu, 

P. Kuai, P. Huo, C. Liu 

8:55 9. Low temperature plasma assisted 

dissociation of hydrogen sulfide. 

K. Gutsol, T. Nunnally, A. Rabinovich, 

A. Starikovskiy, A. Fridman, A. Gutsol, 

A. Kemoun 

9:15 10. Effect of plasma assisted pretreatment 

of wheat straw on enzymatic hydrolysis, 

and ethanol fermentation. 

N. Schultz-Jensen, Z. Kadar, F. Leipold 

9:35 11. Chemical intermediate detection 

following corona discharge on volatile organic 

compounds: General method using 

molecular beam techniques. L. He, 

M. Sulkes 

9:55 12. Current-voltage characteristics of 

in-liquid plasma. S. Nomura, S. Mukasa, 

H. Toyota, M. Kageura 


Section A 


Pacific Ballroom D 


Solar Energy and Photocatalysis 

C. Liu, F. Besenbacher, Z. Wang, 

Organizers 

E. Kadossov, Presiding 

U. Burghaus, Organizer, Presiding 


9:05 13. CuO x /TiO 2 nanostructure for photocatalytic 

hydrogen production. 

V. Gombac, T. Montini, L. Sordelli, 

M. Cargnello, P. Fornasiero 

9:25 14. Design considerations for nanowire 

heterojunctions in solar energy conversion/storage 

applications. 

K. V. Hagedorn, C. Forgacs, S. Collins, 

S. Maldonado 


TiO 2 nanotube films via pulsed laser deposition 

for solar cell applications. 

S. D. Perera, K. J. Balkus 


10:15 16. Synthesis of fullerene tethered 

double-cable diblock copolymers based 

on P3HT and its application in polymer 

solar cells. D. Lee, J. P. Ferraris 

10:35 17. Enhancing photochemical activity 

of semiconductor nanoparticles with optically 

active metallic nanostructures: Photochemistry 

mediated by surface plasmons. 

S. Linic, P. Chrisotpher, 

D. B. Ingram 

10:55 18. High efficiency water photolysis 

by titanium dioxide nanowire thin films. 

M. Liu,N.d.Snapp,H.Park 

11:15 19. Porphyrin sensitized solar cell: 

Synthesis, photophysics, and photovoltaics. 

H. He, V. Pogula, M. Shrestha, 

M. Dubey, Y. Zhong, M. Yan, X. Yan 

54–TECH 


Section C 


Brewster 



Stationary Plasma Fuel and CO2 Conversion 


10:35 20. Plasma fuel reforming. 

A. Fridman, A. Rabinovich, A. Gutsol 

11:05 21. Decomposition of CO2 by large 

flow atmospheric microwave plasma 

(LAMP). S. Parajulee, S. Ikezawa, 

M. Hayakawa 

11:25 22. Dissociation of CO2 in low current 

gliding arc plasmatron. T. P. Nunnally, 

K. Gutsol, A. Rabinovich, A. Fridman, 

A. Starikovskii, A. Gutsol, A. Kemoun 

11:45 23. Non-thermal plasma-chemical 

CO2 utilization: COx polymer formation. 

R. Geiger, D. Staack 

12:05 24. Dry reforming of methane using a 

dielectric barrier plasma reactor. 

J. C. Whitehead, H. J. Gallon, X. Tu, 

M. V. Twigg 




and PETR 


Section A 




Catalyst and Nanomaterials Cosponsored by 

CATL (probationary) 

C. Liu, F. Besenbacher, Z. Wang, 

Organizers 

U. Burghaus, Organizer, Presiding 

R. Tenne, Presiding 


1:30 25. Catalytic model systems studied by 

high-resolution, video-rate scanning tunneling 

microscopy. F. Besenbacher 

2:05 26. Core-shell catalysts and bimodal 

catalysts for Fischer-Tropsch synthesis. 

N. Tsubaki 

2:40 27. Effect of surface oxygen containing 

groups on carbon nanotube supported 

catalyst. X. Wang, N. Li, L. D. Pfefferle, 

G. L. Haller 

3:00 28. Bond activation in thiophene and 

catalyst poisoning: Nanosize Mo clusters 

supported on silica for desulfurization catalysis. 

E. Kadossov, M. Komarneni, 

J. Justin, U. Burghaus 

3:20 29. Free-standing palladium/polyamide 

6 nanofibers for electrooxidation of alcohols 

in alkaline medium. L. Su, W. Jia, 

Y. Lei 


3:50 30. Routes for core-shell inorganic 

nanotubes. R. Kreizman, S. Y. Hong, 

F. L. Deepak, A. N. Enyashin, 

R. Popovitz-Biro, A. Albu-Yaron, 

G. Seifert, R. Tenne 

4:25 31. Reversible nanoconfined chemical 

reaction. T. K. Nielsen,U.Bösenberg, 

R. Gosalawit, M. Dornheim, Y. Cerenius, 

T. Jensen, F. Besenbacher 

4:45 32. How geometry relaxation in metallic 

nanoparticle affects the oxygen reduction 

reaction. C. Lu, G. Henkelman 

5:05 33. Correlation between preparation 

methods and surface carbon formed in 

CH 4 and CO 2 dry reforming on Ni-based 

catalysts. L. Guczi, A. Kiennemann, 

G. Stefler 

5:25 34. Promotion effect of nano Ga 2O 3 

particles on CO 2 adsorption and conversion. 

Y. Pan, P. Kuai, Y. Liu, C. Liu 

5:45 35. Palladium/titanium dioxide nanofibers 

for glycerol electrooxidation in alkaline 

medium. L. Su, W. Jia, Y. Lei 

Section B 




Fuels 

Extraction and Separation 

E. Maginn, W. Henderson, Organizers 

P. Wasserscheid, Presiding 

2:00 36. Ionic liquids in catalytic conversion 

and separation processes for the production 

of clean and sustainable fuels. 

P. Wasserscheid 

2:35 37. Ionic liquids as sustainable solvents 

in petrochemicals extraction. 

W. Meindersma,F.S.Onink, 

A. R. Hansmeier, A. B. de Haan 

3:10 38. Developing inexpensive eutectic 

ionic liquids for biodiesel synthesis. 

H. Zhao, S. Holmes 


4:00 39. Towards in situ extraction of biofuels 

from fermentations with ionic liquids: 

Partitioning and bacterial toxicology. 

S. A. Gangu, L. R. Weatherley, 

A. M. Scurto 

4:20 40. Extraction of lipids and biodiesel 

from biomass using co-solvent mixtures 

of ionic liquids and polar covalent molecules. 

G. Young, M. J. Cooney 

4:40 41. Ionic liquid pretreatment of poplar 

wood at room temperature: Swelling and 

incorporation of nanoparticles. M. Lucas, 

B. A. Macdonald, G. L. Wagner, 

S. A. Joyce, K. D. Rector 

5:00 42. Dissolution of polyaromatics in 

ionic liquids. W. Henderson, M. Gebbie 

Section C 


Brewster 



On-Board Plasma Fuel and Methane 

Conversion 


2:00 43. Plasma reforming of E85 for hydrogen 

rich gas production. X. Zhu, 

T. Hoang, L. Lobban, R. Mallinson 

2:30 44. Single step methane conversion 

into liquid oxygenates using multiphase 

flow, microplasma reactor. T. Nozaki, 

A. Agiral, S. Yuzawa, 

H. J. Gardeniers, k. 0kazaki 

2:50 45. Oxidation of carbon particle by lattice 

oxygen on/in oxide catalyst with an 

application of electrical discharge. 

Y. Sekine, H. Koyama, M. Matsukata, 

E. Kikuchi 

3:10 46. Plasma-catalytic hybrid system using 

spouted bed with gliding arc discharge. 

H. Lee, H. Sekiguchi 

3:30 47. Oxidation of methane in a DBD-catalyst 

system with rare gas dilution. 

A. Janeco, N. Pinhão, A. Ferreira, 

J. Branco 


4:05 48. Effect of discharge properties on 

conversion of methane using pulsed DC 

discharge field. M. Okada, R. Hattori, 

Y. Kuwayama, S. Furukawa, T. Hiaki 

4:25 49. Non thermal plasma reforming of 

hydrocarbon fuels with gliding arc discharge. 

F. Odeyemi, M. Gallagher, 

A. Rabinovich, A. Fridman 

4:45 50. Methane conversion to higher hydrocarbons 

using warm non-equilibrium 

microplasma glow discharge. S. Parimi, 

D. Staack 

5:05 51. Coke free dry reforming of n-dodecane 

by low energy pulsed electric discharge 

at low temperature. 

Y. Sekine, n. furukawa, M. Matsukata, 

E. Kikuchi 



Section A 




Energy Storage 

C. Liu, F. Besenbacher, U. Burghaus, 

Z. Wang, Organizers 

E. Kadossov, M. Liu, Presiding 

8:30 52. Metal oxide/carbon nanotubes 

nano-hybrid materials for energy storage 

applications. S. Ma, J. Kim, H. Kim, 

H. Choi, K. Kim 

8:50 53. High lithiation capacity and rate capability 

observed with amorphous MoO 2 

electrodes for lithium-ion batteries. S. Oh, 

J. Ku, J. Ryu 

9:10 54. Virus templated lithium ion battery 

materials: New cathodes for higher energy 

and capacity. M. A. Allen, 

R. Kolesnikov-Lindsey, A. M. Belcher 

9:30 55. Defects enhanced Li-ion intercalation 

properties in nanostructured electrodes 

for lithium ion batteries. D. Liu, 

D. Yu, G. Cao 


10:15 56. Multiscale synthesis of functional 

nanostructured materials for energy applications. 

J. Liu 

10:50 57. Effect of anion substitution in 

metal borohydrides. L. H. Rude, 

Y. Filinchuk, M. Sørby, B. Hauback, 

T. Jensen 

11:10 58. Energy materials under extreme 

conditions: Electro-thermo-mechanical 

coupling in TEM. R. Shahbazian Yassar, 

H. Ghassemi, A. Asthana, Y. K. Yap 

11:30 59. Coaxial electrospun PEG/PVDF- 

(core/sheath) composite non-woven mats 

as energy storage material. J. Park, 

T. Nguyen 

11:50 60. Catalytic activation of CO 2 into 

useful carbonates products over metallic 

nanocatalysts supported on metal organic 

frameworks. V. Abdelsayed, 

Y. Fan, T. Gardner 

Section B 




Fuels 

Biomass Processing 

E. Maginn, Organizer 

W. Henderson, Organizer, Presiding 

8:30 61. How can we improve the dissolution 

and recovery of biopolymers from 

biomass in ionic liquids specifically for 

biofuels applications? W. Li, N. Sun, 

R. D. Rogers 

9:05 62. From cellulose to fermentable sugars. 

R. Rinaldi, P. Engel, J. Büchs, 

A. C. Spiess, F. Schüth 

9:25 63. Enzymatic hydrolysis of lignocellulose 

in ionic liquid-aqueous systems. 

P. W. Wolski, K. Shill, H. W. Blanch, 

D. S. Clark 

9:45 64. Fermentable sugars by chemical 

hydrolysis of biomass in an ionic liquid. 

R. T. Raines 







consent from ACS.

10:15 65. Application of ionic liquids for the 

conversion of cellulosic biomass into usable 

fuels. P. C. Trulove, W. M. Reichert, 

M. P. Foley, W. B. McIlvaine, 

D. W. O’Sullivan, H. C. De Long 

10:50 66. Conversion of biomass to fuels in 

ionic liquids. A. T. Bell 

11:25 67. Glucose activation by transient 

CR 2� dimers. E. J. Hensen,E.A.Pidko, 

V. Degirmenci 

11:45 68. Pretreatment of cellulosic biomass 

with ionic liquids for biofuels production. 

W. Henderson,E.Brown 

Section C 



Hydrogen Production and Application 

Reforming, WGS, or Gasification 

Cosponsored by COMSCI 

X. Wang, Organizer 

J. Yang, Organizer, Presiding 


8:35 69. In-situ studies of active sites and 

mechanism for the water-gas shift reaction 

on meta/oxide catalysts. 

J. A. Rodriguez, J. C. Hanson, P. Liu, 

J. Hrbek 

9:15 70. Methanol steam reforming over a 

stabilized ceria supported PdZn catalyst 

for hydrogen production. Q. Zhang, 

R. J. Farrauto 

9:35 71. Environmentally benign energy 

technologies. M. J. Castaldi 


10:25 72. Pt-Re interaction in Pt-Re/C catalysts 

under hydrothermal environment for 

production of hydrogen and biofuels 

through aqueous phase reforming. 

L. Zhang, A. Karim, G. Xia, Y. Yang, 

D. Heldebrant, D. L. King, Y. Wang 

11:05 73. Novel Pt/Mg(In)(Al)O catalysts for 

alkane dehydrogenation. P. Sun, 

G. Siddiqi, A. T. Bell 

11:25 74. Power type rate law of propane 

ATR over Pt-Ni/Al 2O 3 catalyst. 

F. Gökaliler,Z.Önsan, A. Aksoylu 

11:45 75. Reaction pathways from CH 4 to 

H 2 - UBI-QEP evaluation of transition 

metals. B. Enger, R. Lødeng, A. Holmen 


Section A 



New Energy Technologies 

Solar Cell and Solar Fuels 

C. Liu, J. Chen, J. Wang, Organizers 

J. Wu, L. Wang, Presiding 


1:35 76. Ultrafast studies of charge carrier 

dynamics in novel nanocomposite materials 

for solar energy conversion applications. 

J. Z. Zhang, J. Hensel 

2:05 77. Multiple electron excitations and 

transfers in the dyes of coal solar cells. 

L. Wang 

2:35 78. Designing nanomaterials, devices, 

and processings for next generation of 

solar cells. Y. Cui 

3:05 79. Nanotubes from rutile TiO2 (110) 

sheets: Formation and properties. 

J. Wang 


3:50 80. Optimizing bulk and nanoscale architecture 

for improved performance in 

semiconducting polymer based photovoltaics. 

C. Tassone, A. L. Ayzner, A. Clark, 

C. Shi, Y. Rubin, B. Schwartz, S. Tolbert 

4:20 81. Leaf-like materials capable of energy 

conversion and CO 2 assimilation. 

B. Su 

4:50 82. Renewable fuel from CO 2 photoreduction 

using illuminated monolith reactor. 

P. Liou, S. Chen, J. C. Wu, D. Liu, 

S. Mackintosh, M. Maroto-Valer, 

R. Linforth 

5:20 83. Water oxidation by ruthenium complexes 

with tris(2-pyridylmethyl)amine derivatives. 

X. Zhao, R. Grudzien, J. A. Ivie, 

K. R. Ruddick, C. E. Webster 

Section C 




Reforming and H2 Storage Cosponsored by 

COMSCI 

X. Wang, Organizer 

J. Yang, Organizer, Presiding 

1:30 84. Tuning structures and hydrogen 

adsorption properties of microporous 

metal organicframework (MMOF) materials. 

J. Li, H. Wu, Y. Zhao, 

M. Padmanabhan 

2:10 85. Development of integrated reformer 

system for syngas production. 

C. Junaedi, S. Vilekar, D. Walsh, 

R. Mastanduno, S. Roychoudhury 

2:30 86. Steam methane reforming over Ni 

and Ni/Ag catalysts: Gaining mechanistic 

insight through experiment and computation. 

D. W. Blaylock, H. Wang, 

A. H. Dam, Y. Zhu, U. Das, W. H. Green, 

A. Holmen, D. Chen 

2:50 87. Opportunities and challenges of 

Li-N based materials for hydrogen fuels. 

Y. Hu 


3:40 88. Advanced chemical hydrides for 

hydrogen storage. J. Holladay, 

A. Karkakamkar, D. Neiner, M. Bowden, 

D. Heldebrandt, J. Linehan, E. Ronnebro, 

C. Sorensen, R. Zheng, D. Matson, 

J. Birnbaum, T. Smurthwaite, 

D. Camaioni, T. Autrey 

4:20 89. Ni-substituted hexaaluminates as 

efficient partial oxidation catalysts. 

T. H. Gardner, E. Kugler, V. Abdelsayed, 

Y. Fan, J. Spivey 

4:40 90. Noble-metal based catalysts for 

biomass-derived tar cracking and methane 

reforming. R. A. Dagle,M.A.Gerber, 

Y. Su, M. Flake, D. L. King, J. F. White 

5:00 91. Catalytic partial oxidation of methane 

on autothermally operated Pt catalysts: 

Reaction pathways, zoning effects, 

and impact of mass and heat transport. 

O. Korup, M. Geske, S. Mavlyankariev, 

R. Schlögl, R. Horn 

5:20 92. Fundamental understanding of the 

role of K on the activity of Pt/CeO 2 catalyst 

for hydrogen production from ethanol 

and ethylene glycol. Z. He,X.Wang 

Section B 




Fuels 

Electrochemistry, Energy Storage and 

Propulsion 

E. Maginn, W. Henderson, Organizers 

P. Trulove, Presiding 

2:00 93. Imidazole-based ionic liquids for 

use in PEMFCs: Proton conductivity 

studies. C. Gorman, L. Dyers, 

M. Gervais, J. B. Kerr 

2:35 94. Simulation study of nanoporous 

carbon supercapacitors in a room-temperature 

ionic liquid. H. J. Kim,Y.Shim 

3:10 95. Ionic liquid-based electrolytes for 

lithium batteries: Thermal phase behavior 

and ionic interactions. W. Henderson, 

Q. Zhou 

3:30 96. Thermal and corrosion properties 

of nanoparticle enhanced ionic liquids 

(NEILs). E. B. Fox, A. E. Visser, 

N. J. Bridges, J. R. Gray 


4:00 97. Vacuum electrospray ionization of 

ionic liquids. Y. Chiu, B. W. Ticknor, 

B. D. Prince 

4:35 98. Substituting hazardous rocket propellants. 

S. Schneider, T. Hawkins, 

M. Rosander, Y. Ahmed, J. Mills 

5:10 99. AHA! Computational design of 

aprotic heterocyclic anions for ionic-liquid-based 

CO2 separations. 

W. Schneider, E. Mindrup 

5:30 100. Dicyanoborate-based ionic liquids 

as hypergolic fluids. Y. Zhang,Y.Joo, 

J. M. Shreeve 






Section A 


Hall C 

Advances in Fuel Science and Technology 

C. Liu, X. Ma, Organizers 

8:00–10:00 

101. Advances in polymer electrolyte membranes 

reinforced by electrospun nanofiber 

porous substrates for fuel cells. 

S. Yun, J. Woo, S. Seo, S. Oh, S. Moon 

102. Synthesis and characterization of new 

biodiesels derived from oils of plants 

growing in northern Wisconsin and Minnesota. 

J. W. Lane, K. Hukriede, 

D. Koirala, D. Levings, A. Stewart, 

M. A. Waxman 

103. Development of oil recovery methods: 

Facing up to the challenge of heavy oil resources. 

A. Duan, R. Li, B. Zheng, 

A. Duan 

104. Heterocyclic based ILs having alkyl hydrazine 

tether: Synthesis and physiochemical 

properties. Y. O. Ahmed, 

S. Schneider, M. Rosander, 

T. W. Hawkins 

105. Effect of acidity of zeolite on sythesis of 

dimethyl carbonate via methyl nitrite. 

C. Hao, S. Wang,H.Chen,Y.Ge,Z. Li, 

X. Ma 

106. Hydrogenation of CO 2 to formic acid on 

ruthenium hydroxide catalysts. S. Wang, 

C. Hao, M. Li, L. Kang, P. Na, X. Ma 

107. Surface-modified polyethylene separators 

for lithium-ion polymer battery via 

plasma-induced coating process. J. Kim, 

D. Lim 

108. Plasma modification of polyethylene 

separator for lithium-ion battery. G. An, 

J. Kim, D. Lim 

109. Catalytic behavior of ash derived from 

biomass gasification. N. Klinghoffer, 

M. J. Castaldi, A. Nzihou 

110. Catalyst center at the Advanced Photon 

Source beamline 9-BM. T. Bolin 

111. Simulating Fischer-Tropsch synthesis 

phase behavior in nonconventional reaction 

media. N. O. Elbashir 

112. Adsorption characteristics of lignosulfonates 

on self-assembly multilayers. 

Y. Deng, Y. Wu, X. Ouyang, D. Yang, 

X. Qiu 

113. Prediction of liquid-liquid equilibria of 

(ionic liquid � hydrocarbon) systems by 

COSMO-RS. A. R. Ferreira, M. G. Freire, 

J. G. Crespo, J. A. Coutinho 

114. Chemical durability studies of imidazoles 

and their ionic mixtures (with triflic 

acid) under mimic fuel cell conditions. 

L. Dyers, M. Gervais, J. B. Kerr 

115. Characterization of unsaturated hydrocarbon 

content from light and middle petroleum 

distillates using desorption electrospray 

ionization (DESI) mass 

spectrometry. E. Sokol, A. U. Jackson, 

T. Shum, R. Cooks 

116. Green methods for improving enzymatic 

saccharification of plant based biomass 

for cellulosic ethanol by using 

oxalic acid pretreatments. 

D. W. Berke-Schlessel,S.Das, 

R. Wexler, Y. Wei 

117. Xylose production with Thermobacillus 

composti immobilized on a porous gel 

carrier. Y. Nakane, K. Watanabe, 

K. Nakagawa, T. Sakaguchi 

118. Mono- and multilayer surface alloys as 

electrocatalysts. X. Yang,J.Fu, 

B. E. Koel 

119. Adsorption, dissociation of H 2 molecules 

on Ni(001) surface of Ni/YSZ slab: A 

DFT study. H. Chen,J.Chang,J.Lu 

120. Gas phase decomposition of methyl 

formate. S. Dooley, T. Farouk, F. L. Dryer 

121. Comparison of kinetic pathways in oxidation 

of 1,3,5-trimethylbenzene and propylbenzene. 

S. Jahangirian, S. Dooley, 

F. L. Dryer 

122. CO2 sequestration and coal gasification 

using the Versatile Atmospheric dielectric 

barrier Discharge ExpeRiment (VADER). 

M. A. Lindon, E. Scime, D. Shekhawat, 

M. Gallagher, D. Berry 

123. Green heterogeneous catalytic conversion 

of bioethanol into n- and branched 

butanol on hydroxyapatites. L. Carreno, 

K. P. Ibarra, D. J. Portillo 

124. Gas phase decomposition of the most 

basic methyl ester, methyl formate. 

S. Dooley, T. Farouk, F. Dryer 

125. Selective sulfur removal from JP-8 jet 

fuel. M. Timko, L. Gonzalez, L. Shafer, 

J. Tester, P. Kracke, W. Green 

126. Preparation and characterization of a 

RuNi catalyst for biomass conversion to 

advanced alcohols. L. Song,J.Chen 

127. Diffusion coefficient-formula weight 

correlation analysis via DOSY NMR to examine 

acylglyceride mixtures and biodiesel 

production. G. L. Kagan, 

A. M. Socha, W. Li, R. Hopson, 

J. K. Sello, P. G. Williard 

Section A 


Hall C 

Chemistry for Energy: Student Posters 

C. Burgess, Y. Alvarez Rojas, M. Hill, 

Organizers 

8:00–10:00 

128. In-reactor production of esterified biooil 

via methanol injection. 

P. Bhattacharya, P. Steele, E. Hassan, 

L. Ingram 

129. Performance degradation and recovery 

effect of direct formic acid fuel cells using 

a palladium anode catalyst. S. Baek, 

Y. Kwon, J. Han, J. Kim 

130. Carbon nanotube supported Pt and 

Pt-Co bimetallic catalyst: Structure and 

aqueous phase reforming activity. 

X. Wang, N. Li, L. D. Pfefferle, G. L. Haller 

131. New phosphonic acid based copolymer 

membrane for fuel cell applications. 

G. J. Schlichting, A. M. Herring 

Section A 


Hall C 

Sci-Mix 

C. Liu, Organizer 

8:00–10:00 

2, 3, 11, 15, 18, 23, 34, 40, 41, 54, 74, 75, 


158, 180, 210, 217, 218, 226, 236, 247, 252, 




and PETR 





FUEL 

TECH–55

FUEL TECHNICAL PROGRAM 


Section A 




Catalyst and Nanostructured Materials for 

New Energy Applications 


D. Wang, Y. Hu, Presiding 

8:30 132. New nanocatalysts for cleaner energy 

provisions. S. Tsang, C. Wu 

9:00 133. Nanoengineering catalysts in size, 

shape, and composition for fuel cells. 

C. Zhong, B. Fang, B. Wanjala, 

R. Loukrakpam, J. Yin, J. Luo 

9:30 134. Metal-organic frameworks for energy 

applications. Y. Hu 


10:10 135. Enhancing electrocatalytic activity 

by tuning nanoparticle surface structure 

and composition. S. Lee, S. Chen, 

Y. Shao-Horn 

10:40 136. Self-assembled nanostructured 

materials for energy storage. D. Wang 

11:10 137. Architecture of nanoparticle 

structures at nanoscale for energy conversion 

applications. C. Wang 

Section B 



Storch Award: Symposium in Honor of 

Chunshan Song 

Fuel Science 

C. Song, Organizer 

H. Schobert, M. Gray, Presiding 


8:35 138. Characteristics of optimal chain 

transfer solvents for heavy hydrocarbon 

conversion. M. T. Klein, C. LaMarca 

9:10 139. Asphaltene reactions and aggregation: 

Insights at the molecular level. 

M. R. Gray 

9:45 140. Conversion of low-rank coals into 

upgraded coals and extracts having similar 

chemical and physical properties using 

degradative solvent extraction. 

L. Xian, Y. Hasegawa, M. Moromoto, 

R. Ashida, K. Miura 


10:35 141. Experimental and theoretical investigations 

of the pyrolysis of lignin 

model compounds. P. F. Britt, 

A. Buchanan, M. K. Kidder, A. Beste, 

B. G. Sumpter 

11:10 142. Ultra low sulfur fuels: Impacts of 

advanced HDS strategies on automotive 

emissions, fuel economy, and energy security. 

A. L. Boehman 

11:45 143. Advanced simulation tools for 

accelerating the development, and deployment 

of carbon capture technologies. 

A. Cugini, M. Syamlal, B. Morreale 

Section C 




Membrane Technology and H2 Application 

Cosponsored by COMSCI 

56–TECH 

J. Yang, Organizer 

X. Wang, Organizer, Presiding 

8:30 144. Dry reforming of methane cannot 

be used to produce hydrogen. 

T. S. Oyama 


9:10 145. Thin-film membranes downstream 

to the reactor for novel energy-efficient 

processes in H 2 production. G. Centi, 

S. Perathoner, S. Abate, G. Iaquaniello 

9:30 146. Parameterizations of force constants 

in depend on change of induced 

local electrostatic field by change of environment 

in cluster model and approximate 

to bulk model at modeling of ionomer 

membrane. F. Keshtova, 

S. V. Keshtova 

9:50 147. Synthesis and application of micro-mesoporous 

material in the catalysts 

for the hydrotreating of transport fuels. 

Z. Zhao, D. Zhang, Q. Huo, A. Duan, 

J. Liu, G. Jiang, H. Pan, T. Dou 


10:40 148. Catalysis for the 21st century. 

r. J. Farrauto 

11:20 149. Use of nuclear energy for future 

transportation fuels. J. Herring, 

C. Stoots, J. O’Brien 

12:00 150. Regenerable adsorbent for liquid 

phase JP-8 fuel: A case study of gold/silica 

based adsorbent at room temperature. 

D. T. Tran, Z. W. Dunbar, D. Chu 

Section D 


Caspian 


Membranes Cosponsored by CATL 


S. Hamrock, Organizer 

A. Herring, Organizer, Presiding 


8:35 151. FTIR study of perfluorinated ionomer 

membranes and model compounds. 

S. Schlick, L. Lin, M. Danilczuk, 

S. J. Hamrock, M. S. Schaberg 

9:00 152. Polystyrene-based superacidic 

fluoroalkyl sulfonated ionomers for fuel 

cell applications. Y. Chang, 

L. V. Brownell, T. Jo, C. Bae 

9:25 153. Hybrid inorganic/polymer ionomers 

for low RH fuel cell operation. 

A. M. Herring, J. L. Horan, M. Kuo, 

G. J. Schlichting, Z. Ziegler, F. Zhang, 

J. Jessop, S. Nelson 

9:50 154. Molecular dynamics simulation 

study of hydrated sulfonated poly (ether 

ether ketone) for application to polymer 

electrolyte membrane fuel cells in comparison 

with sulfonated polystyrene. 

G. F. Brunello, B. Watson, J. Fuller, 

S. Lee, S. Jang 


10:25 155. Inorganic sol-gel modified solution 

cast Nafion ® membranes for optimum 

performance and durability in fuel 

cells. S. Kulkarni, K. Mauritz 

10:50 156. Selective transport properties 

and water binding in proton exchange 

membranes. H. Xie, T. Saito, K. Xu, 

Q. Wang, M. A. Hickner 

11:15 157. Broadband dielectric spectroscopy 

studies of instrument - in situ annealed 

poly (2,5- benzimidazole) membrane 

materials. A. Nalawade, 

M. K. Hassan, K. A. Mauritz, M. H. Litt 

11:40 158. Design of triazole bearing sol-gel 

membranes as water free proton exchange 

membranes for hydrogen fuel 

cells, effect of crosslink density, and heterocycle 

content on membrane performance. 

S. Granados-Focil, 

J. R. Conway, Y. Meng, L. Smith 





Section A 




Catalyst and Nanostructured Materials for 

New Energy Applications 


C. Sykes, Q. Ge, Presiding 

1:30 159. Tungsten carbides as alternative 

electrocatalysts: From surface science 

studies to fuel cell evaluation. J. G. Chen 

2:00 160. Catalyzing the catalyst: Hydrogen 

dissociation and spillover on individual 

isolated palladium atoms. H. Tierney, 

A. Baber, J. Kitchin, C. Sykes 

2:30 161. Understanding and designing hydrogen 

storage materials based on first 

principle computational analysis. Q. Ge 

3:00 162. Thermally reversible hydrino catalyst 

systems as a new power source. 

R. Mills, G. Zhao, K. Akhtar, Z. Chang, 

J. He, X. Hu, G. Wu, J. Lotoski, G. Chu 


Section B 




Chunshan Song 

Future Fuels and CO2 C. Song, Organizer 

C. Burgess, S. Oyama, Presiding 


1:35 163. Development of coal-based jet 

fuel: From JP-900 to JP-8 and Jet-A. 

H. Schobert 

2:10 164. From catalytic coal liquefaction to 

CO 2 capture and conversion towards fuels 

of the future. C. Song 


3:20 165. Discovery of the benefits produced 

when carbon dioxide is used in 

chemical, biological or technological applications. 

M. Aresta 

3:55 166. Development of highly functional 

TiO2 thin film materials by a RF magnetron 

sputtering method and their applications 

in the production of H2 from H2O 

and dye-sensitizer-free thin film solar 

cells. M. Anpo 

4:30 167. Mesoporous carbon and carbonbased 

nanocomposites as catalyst support 

for celluose conversion into polyols. 

A. Wang, Y. Zhang, J. Xu, J. Pang, 

M. Zheng, Y. Huang, T. Zhang 

Section C 




Biological and Solar Methods Cosponsored 

by COMSCI 

J. Yang, Organizer 

X. Wang, Organizer, Presiding 

1:30 168. Hydrogen production in Clostridium 

thermocellum via dark fermentation 

of lignocellulosic biomass. J. Jo, 

L. Magnusson, S. Thammannagowda, 

G. Pennington, P. Maness 

2:10 169. Synthesis and characterizaton of 

silver gallium selenide thin film for photoelectrochemical 

application. L. Chen, 

H. Tang, S. Shet, H. Wang, Y. Yan, 

J. Turner, M. Al-Jassim 

2:30 170. Photocatalytic hydrogen generation 

through water splitting on nano-crystalline 

LaFeO 3 perovskite. S. N. Tijare, 

M. M. Joshi, S. S. Rayalu, 

N. K. Labhasetwar 

2:50 171. Visible light induced photoreduction 

of water by N- doped mesoporous titania. 

M. M. Joshi, P. A. Mangrulkar, 

S. N. Tijare, S. Metkar, N. K. Labhsetwar, 

S. S. Rayalu 

3:10 172. Photoproduction of H 2 from water 

and biowastes using titania-based catalysts. 

G. Centi, R. Passalacqua, 

P. Fornasiero, C. Ampelli, S. Perathoner 


3:40 173. Photosynthetic hydrogen production 

from water splitting in the model organism 

Chlamydomonas reinhardtii. 

P. King, K. Ratcliff, M. Ghirardi 

4:20 174. Nano cobalt oxide for photocatalytic 

hydrogen production. 

P. A. Mangrulkar,M.V.Joshi, 

N. K. Labhsetwar, V. Polshettiwar, 

S. S. Rayalu 

4:40 175. Cadmium stannates as model 

photocatalytic systems for water decomposition 

and pollution abatement. 

B. Viswanathan, R. Viswanath, 

T. varadarajan, G. Magesh 

5:00 176. Effect of borate in photocatalysis. 

L. Gongxuan, J. Zhiliang 

5:20 177. Dissociation of H 2S in low current 

gliding arc tornado discharge. 

T. P. Nunnally, K. Gutsol, A. Rabinovich, 

A. Fridman, A. Starikovskii, A. Gutsol, 

A. Kemoun 

Section D 


Caspian 


Membranes and Fuel Cell Operation 

A. Herring, Organizer 

S. Hamrock, Organizer, Presiding 

1:30 178. New fuel cell membrane development 

at 3M. M. Schaberg, J. Abulu, 

M. Emery, G. Haugen, P. Xiong, 

S. Hamrock 

1:55 179. Thin film quartenary ammonium 

and phosphonium based anion exchange 

membranes. C. Arges, S. Kulkarni, 

A. Baranek, K. Pan, M. Jung, D. Patton, 

K. Mauritz, V. Ramani 

2:20 180. Anion exchange membranes 

based on highly fluorinated poly (arylene 

ether). J. Yan,B.L.Chaloux, 

M. A. Hickner 

2:45 181. Durability studies on performance 

degradation of catalysts and Nafion® 

membrane in direct methanol fuel cells. 

D. Kumari, E. S. Smotkin, C. Grice 


3:30 182. Perfluorocyclobutyl (PFCB) polymers 

for proton exchange membrane fuel 

cell (PEMFC) applications. G. D. Kalaw, 

J. N. Wahome, K. J. Balkus, 

I. H. Musselman, D. Yang, J. P. Ferraris 

3:55 183. RoleofCeO 2 addition to TiO 2based 

adsorbent in adsorptive desulfurization: 

A DFT study. J. Guo, S. Watanabe, 

M. Janik, C. Song 

4:20 184. Synthesis and comparative electrocatalytic 

study of Pt 3Ni nanoctahedra 

and nanocubes. J. Zhang, H. Yang, 

S. Zou, J. Fang 

4:45 185. Characterization of flow-through 

microbial fuel cells. S. Higgins, 

S. Minteer, M. Cooney 

5:10 186. Diesel fuel desulfurization for use 

in fuel cells. A. Jayaraman, G. Alptekin, 

J. Monroe, M. Dubovik 






consent from ACS.

Section A 




Solar Cell and Solar Fuels 


G. Lu, J. Wang, Presiding 

3:50 187. Roles of nanocavities and alternate 

structures structural on TiO2 nanoribbon 

for visible-light induced photocatalytic 

H2 evolution. G. Lu 

4:20 188. Improving bulk heterojunction solar 

cells through controlling their nanostructure. 

N. C. Cates, G. F. Burkhard, 

R. Gysel, Z. Beiley, E. T. Hoke, 

S. R. Scully, C. E. Miller, M. F. Toney, 

M. Heeney, I. McCulloch, 

M. D. McGehee 

4:50 189. Artificial photosynthesis by bacteria-templated 

micro/nanostructures. 

T. Fan, H. Zhou, D. Zhang 

5:20 190. I-Doped titanium dioxide nanocrystalline 

films: Preparation, characterization, 

and application for dye sensitized 

solar cells. Q. Hou, X. Tao, J. Chen 


Section A 




Catalysis and Biomass Conversion 


J. Wang, M. Maroto Valer, Presiding 

8:30 191. Reliable fabrication of highly b-oriented 

pure silica and hetero-atom MFI 

zeolite membranes for ethanol recovery 

from dilute aqueous solution. L. Lang, 

X. Liu, X. Liu, B. Zhang 

9:00 192. Novel catalytic methods for the 

conversion of methane and biomass to 

alternative energy sources. K. Yoo, 

P. Pullanikat, J. Lee, J. Olsen, R. Giles, 

K. Jung 

9:30 193. Novel pH-swing process using 

ammonium salts for CO 2 mineralization. 

M. Maroto-Valer,X.Wang 

10:00 194. Catalysis of lignin depolymerization 

in ionic liquids. S. Jia, B. Cox, 

X. Guo, Z. Zhang, J. Ekerdt 


10:40 195. Second generation biodiesel: 

From cellulose to 5-HMF derivates. 

G. Centi, S. Perathoner, P. Lanzafame, 

D. Temi, A. Macario, G. Giordano 

11:10 196. Catalytic active sites for H 2 production 

from bio-alcohols over transition 

metal oxide nanoparticles. Z. He, 

X. Wang 

11:40 197. Direct catalytic conversion of 

biomass into glycols using tungstenbased 

catalysts. A. Wang, M. Zheng, 

N. Ji, Y. Zhang, Y. Huang, T. Zhang 

Section B 




Chunshan Song 

Catalytic Fuel Processing 


J. Miller, M. Klein, Presiding 


8:35 198. Hydrotreating catalysis: Structure 

sensitivity and inhibition effects. 

H. Topsøe 

9:10 199. Active phase of a nickel phosphide 

(Ni 2P) catalyst supported on KUSY 

zeolite for the hydrodesulfurization of 4,6- 

DMDBT. T. S. Oyama,Y.Lee, 

K. Asakura, K. K. Bando, Y. Yoshimura 

9:45 200. Hydrodesulfurization performance 

of transition metal phosphides prepared 

by hydrogen plasma reduction. M. Qin, 

Z. Wang, Y. Wang, X. Li, A. Wang,Y.Hu 


10:35 201. Catalysis for hydrogen production 

and fuel cell applications. 

R. J. Farrauto 

11:10 202. Distillate-fuel desulfurization and 

reforming for SOFC and HTPEM fuel 

cells: From science to system integration. 

M. Namazian 

11:45 203. Using in-situ Fe and Mn K-edge 

XANES to study a Mn-promoted Fe/Cu/ 

SiO 2 catalyst during H 2 reduction and 

during the Fischer-Tropsch synthesis. 

A. Campos, N. Lohitharn, A. Roy, 

J. Goodwin, Jr., J. Spivey 

Section C 


Pacific Ballroom G/H 


Liquids Conversion 

A. De Klerk, D. King, Organizers, Presiding 


8:35 204. Catalytic conversion of small oxygenates 

from bio-oil to alkylaromatics on 

zeolites. D. E. Resasco,X.Zhu, 

L. L. Lobban, R. G. Mallinson, T. Hoang 

9:10 205. Optimization of zeolites for pyrolytic 

conversion of glucose to aromatic 

hydrocarbons. A. J. Foster, J. Jae, 

G. W. Huber, R. F. Lobo 

9:30 206. Examination of hydrothermal lignin 

conversion using carbon monoxide. 

M. Hill Bembenic, C. Burgess Clifford 

9:50 207. Preliminary study of methyl 

okeate’s oxidation (biodiesel) in a tubular 

reactor. M. Lu,M.Chai 


10:25 208. Indirect liquefaction carbon efficiency. 

A. de Klerk 

10:45 209. Supercritical deoxygenation of 

model bio-oil oxygenates. J. W. Ford, 

H. Wan, R. V. Chaudhari, 

B. Subramaniam 

11:05 210. Hydrodeoxygenation of glycerol 

into bio-crude. M. Tymchyshyn, 

A. Parmar, C. C. Xu 

11:25 211. Impact of solvent type and conditions 

on the yields and compositions of 

oils from thermolytic extraction of biomass. 

C. E. Snape,H.Deng, 

W. Meredith, C. Uguna 

11:45 212. Production of upgraded biofuels: 

HDO of phenol over Ni-W/C catalysts. 

S. Echeandia Medina, 

P. L. Arias Ergueta, B. T. Pawelec, 

J. L. Garcia Fierro 

Section D 


Caspian 

Chemistry, Production, and Use of Green 

Fuels 

Chemistry and Use of Green Fuels 

S. Minteer, M. Cooney, Organizers, 

Presiding 



multiblock hydrophobic partially fluorinated 

(polyarylene ether ketone) -hydrophilic 

(disulfonated polyarylene ether sulfone) 

copolymers for proton exchange 

membranes. Y. Chen, C. Lee, O. Lane, 

J. E. McGrath 

9:25 214. Developing a complete oxidation 

direct electron transfer glucose biofuel 

cell. S. Xu, S. Minteer 

9:45 215. Fuel cells that use mitochondria 

as energy conversion matrices to generate 

electricity from biofuels. 

R. Arechederra, S. D. Minteer 

10:05 216. GM’s powertrain diversity strategy. 

L. Bednarova 


10:40 217. Bimettalic - doped ZnO sorbents 

for simultaneous H 2S removal and COS 

hydrolysis from reformate streams. 

P. P. Dhage, A. Samokhvalov, 

B. J. Tatarchuk, D. Repala 

11:00 218. Alkane-capped aluminum nanoparticles. 

S. W. Buckner, P. A. Jelliss, 

D. W. Hammerstroem, C. E. Bunker, 

E. A. Guliants, S. E. Hayes, K. M. Wentz 

11:20 219. Reaction mechanisms without 

borders: Combustion of the butanol isomers 

from ��0.25 to ��. M. R. Harper, 

K. M. Van Geem, G. B. Marin, 

W. H. Green 


Section A 




Biofuel, CO2 and Resources 

J. Chen, J. Wang, Organizers 

Y. Wang, Presiding 

C. Liu, Organizer, Presiding 

1:30 220. One step conversion of bio-ethanoltoisobuteneonZn 

xZr yO z mixed oxides 

with balanced acid-base pairs. 

J. Sun, K. Zhu, L. Zhang, J. Liu, Y. Wang 

2:00 221. Green process for dimethyl carbonate 

synthesis starting from carbon dioxide. 

L. He, Z. Yang, A. Liu, J. Gao, 

S. Chanfreau 

2:30 222. Synthesis of nanoscale HZSM-5 

zeolite and its application in alkylation, 

dehydration of bio-ethanol and upgrading 

of FCC gasoline. X. Guo, H. Long, 

Y. Zhao, X. Cheng, L. Sun, J. Bi, X. Wang 

3:00 223. Alternative approach to synthesizing 

highly active desulfurization catalysts. 

Q. Guan, W. Li 


3:45 224. Upgrading and refining of Canadian 

bitumen and heavy oil. J. Chen, 

E. Little 

4:15 225. Hydrothermal conversion of biomass 

and carbon dioxide into chemicals 

and fuels: A potentially useful technology 

for improving global carbon cycle by 

mimicking nature. F. Jin,Z.Huo,J.Cao, 

B. Wu, H. Enomoto 

4:45 226. Simultaneous reclamation of derelict 

acid mine drainage land and sustainable 

energy production using switchgrass. 

D. M. Kargbo,S.Al-Abed 

5:15 227. Effect of ethanol/water blend fumigated 

on combustion process of diesel 

engine. C. Yao, X. Chen, Q. Xia, X. Yang, 

L. Wei, J. Liu, Y. Xu 

Section B 




Chunshan Song Chemicals, Fuels and 

Materials 


C. Marshall, J. Spivey, Presiding 


1:35 228. Molecular design and commercial 

application of highly selective zeolite catalysts 

for alkylaromatics production. 

T. F. Degnan,J.S.Beck 

2:10 229. Sustainable catalysis for fuels and 

chemicals with gas-expanded liquids. 

B. Subramaniam 

2:45 230. Influence of size and adsorbates 

on the L 3,L 2 and L 1 xanes of Pt catalysts. 

J. T. Miller, Y. Lei, J. Jelic, H. Liang, 

S. Linic, R. Meyer 


3:35 231. Biomass to fuels: A European perspective. 

A. Sanna, L. Porcu, 

J. M. Andresen 

4:10 232. Chemistry of carbonaceous mesophase 

development and petroleum 

coke texture. S. Eser, G. Wang, 

R. T. Wincek 

4:45 233. Selective catalytic production of 

clean hydrocarbon fuels from fossil and 

non-fossil resources by removing sulfur 

compounds. K. Sakanishi 

5:20 234. Shape-selective methylation of aromatics 

for environmentally friendly synthesis 

of specialty chemicals over zeolite 

catalysts. X. Guo, C. Zhang, Y. Zhao, 

A. Zhang, M. Liu, X. Wang, C. Song 


Section C 





A. De Klerk, D. King, Organizers, Presiding 

1:30 235. Hydrocracking different Fischer- 

Tropsch waxes: Model simulations. 

C. Gambaro,V.Calemma 

1:50 236. Oligomerization of light olefin to 

produce jet fuel. J. Zhu,S.K.Saha, 

X. Ma, C. Song 

2:10 237. Improving the utility of large-scale 

coal molecular models by simplifying the 

view: 3D models to reactive lattice grids. 

Y. E. Alvarez, J. K. Watson, 

J. P. Mathews 

2:30 238. Evaluating matrix effects on trace 

element partitioning during coal combustion 

using novel in situ/direct method. 

A. A. Raeva, E. I. Kozliak, D. T. Pierce, 

W. S. Seames 

2:50 239. S-XANES analysis of sulfur forms 

in Argonne Premium Coals. T. Bolin 

3:10 240. Hexadecane hydrotreating as a 

surrogate for Fischer-Tropsch upgrading 

to aviation fuel using a Co/MoO 3/silicaalumina 

catalyst. H. J. Robota, J. Jones, 

A. Stewart, M. Luo 


3:45 241. Sequential combination of organic 

acid and base treatments for converting 

lignocellulosic biomass and cellulose. 

Y. Noda, U. Wongsiriwan, 

P. Prasassarakich, Y. Yeboah, C. Song 

4:05 242. Catalytic conversions of biomassderived 

polyols to value added chemicals 

and fuels. A. Rahman 

4:25 243. Transforming municipal solid 

waste (MSW) into fuel via the gasification/ 

pyrolysis process. E. Kwon, 


4:45 244. DFT evaluation of sodium effects 

on the gasification mechanisms of carbonaceous 

materials with carbon dioxide. 

J. F. Espinal, L. A. Calderón, 

F. Mondragón 

5:05 245. Gasification of salmon wastes and 

small diameter alder. J. A. Soria, 

S. Freitas 

Section D 


Caspian 

Chemistry, Production, and Use of Green 

Fuels 

Production of Green Fuels 

S. Minteer, M. Cooney, Organizers, 

Presiding 





FUEL 

TECH–57

FUEL/GEOC TECHNICAL PROGRAM 

1:30 246. Biofuels and products from microalgae 

and seaweeds. F. B. Metting, 

M. Huesemann, G. Roesjadi, 

J. Benemann 

2:05 247. Bio-oil from microalgae: Review of 

existing methods, challenges, milestones 

and governmental role needed to develop 

algal biofuels. R. Pate, G. Young, 

M. J. Cooney 

2:25 248. Comparison of hydroprocessed 

bio-oil gasoline, diesel and jet fuel fractions 

characteristics to ASTM standards 

for drop-in fuels. P. H. Steele, 

S. K. Gajjela, E. M. Hassan 

2:45 249. Lifecycle energy and carbon footrpint 

for an algae-based ethanol production 

process. Z. Hu, D. Luo, D. Choi, 

V. M. Thomas, M. Realff, R. Chance 

3:05 250. Maximizing the yield of biodiesel 

from waste cooking oil hydroprocessing 

by cut-point optimization. D. Karonis, 

S. Bezergianni, D. Chilari, E. Kelesidis 


3:35 251. Combined anaerobic-aerobic digestion 

of wastewater on biocarbons as 

immobilization material. M. J. Cooney, 

M. J. Antal 

3:55 252. Ab initio study of polypyrrole 

doped with sulfonated ions for pervaporation 

of ethanol-water mixtures. 

A. L. Botelho,X.Lin 

4:15 253. Cloning, expression, and characterization 

of the sucrose synthesizing asf 

gene product from Synechococcus elongatus 

PCC 7942. R. J. Turner, 

V. Sershon, J. Aikens 

4:35 254. Jet fuel from biologically-derived 

triacylglycerol oils. D. Derr 

4:55 255. Using gold catalysts for upgrading 

glycerol from biodiesel production: Selective 

oxidation and synthesis of glycerol 

carbonate. J. A. Lopez-Sanchez, 

N. Dimitratos, C. Hammond, 

M. Ab Rahim, J. M. Anthonykutty, 

A. F. Carley, R. C. Tiruvalam, C. J. Kiely, 

D. W. Knight, G. J. Hutchings 



Section A 



Heavy Hydrocarbon Resources: 

Characterization Upgrading and Utilization 

O. Koseoglu, D. Espinat, A. Al Hajji, 



8:30 256. Petroleomics: Composition/structure 

relation to properties/performance of 

petroleum and its fractions. C. Hsu, 

R. Rodgers, A. McKenna, A. Marshall 

9:10 257. Structural characterization and 

quantitative analysis of petroleum macromolecules. 

W. A. Burgess, 

S. U. Kulkarni,M.C.Thies 

9:30 258. Continuum of petroleum composition 

and its implication for asphaltene 

composition examined by FT-ICR mass 

spectrometry. A. M. McKenna, 

R. P. Rodgers, W. K. Robbins, C. S. Hsu, 

M. Mapolelo, B. Ehrmann, A. G. Marshall 

9:50 259. Insight into asphaltene nano-aggregate 

structure inferred by small angle 

neutron and X-ray scattering. 

J. Eyssautier, P. Levitz, D. Espinat, 

J. Jestin, J. Gummel, I. Grillo, L. Barré 

10:10 260. Study of catalyst-coke recycle 

during bitumen hydroconversion in a 

semi-batch, slurry-phase reactor. 

H. Rezaei, S. Jooya Ardakani, K. J. Smith 


10:40 261. Compositional analysis of unprocesses 

and processed heavy oils with 

high resolution mass spectrometry. 

H. Wang, S. C. Houdek, D. B. Galloway, 

G. Yokomizo 

58–TECH 


11:00 262. Analytics driving kinetics: Thermochemical 

conversion of heavy petroleum 

fractions. S. P. Pyl, 

K. M. Van Geem, M. Reyniers, 

G. B. Marin 

11:20 263. Characterization of asphaltenes 

and petroleum by mass spectrometry. 

A. E. Pomerantz, O. C. Mullins, 

M. R. Gray, R. N. Zare 

11:40 264. Supercritical water mediated upgrading 

of heavy oil. K. Choi 

12:00 265. Three-tier methodology for 

quantification and characterization of 

naphthenic acids in aqueous solutions. 

U. Tezel, T. Misiti, D. Bostwick, 

C. Sullards, S. Pavlostathis 

Section C 





A. De Klerk, Organizer 

D. King, Organizer, Presiding 

8:30 266. Hydrocracking of Fischer-Tropsch 

wax: Effect of feed composition. 

V. Calemma,C.Gambaro 

9:05 267. Kinetics study of Fischer-Tropsch 

synthesis over a 15%Co/Al2O3 catalyst. 

W. MA, G. Jacobs, D. Sparks, C. Yen, 

J. Klettlinger, T. Tomsik, B. Davis 

9:25 268. Preparing low temperature iron 

Fischer-Tropsch catalysts: Strategies that 

work and those that do not. 

P. J. Pretorius 

9:45 269. Fischer-Tropsch synthesis over 

promoted Mo carbide catalysts: Time-onstream 

behaviour. D. N. Vo, T. Nguyen, 

A. A. Adesina 


10:20 270. What can vanadium chemistry 

teach us about Fischer-Tropsch synthesis? 

G. Beran,Y.Luo 

10:40 271. Deutero-1-pentene tracer studies 

for iron and cobalt Fischer-Tropsch 

synthesis. M. Gnanamani,R.A.Keogh, 

W. D. Shafer, B. H. Davis 

11:00 272. Mixed metal xerogels and aerogels 

for Fischer-Tropsch synthesis of alternative 

fuels. S. Bali, E. L. Moulding, 

G. S. Bali, F. E. Huggins, G. P. Huffman, 

R. D. Ernst, R. J. Pugmire, E. M. Eyring 

11:20 273. Electrical capacitance tomography 

(ECT) study of carbon monoxide hydrogenation 

in a slurry reactor. 

B. Abdullah, C. Dave, C. G. Cooper, 

T. Nguyen, A. A. Adesina 

Catalyst for Energy Storage Sponsored by 

CATL (probationary), Cosponsored by FUEL 

and PETR 

GEOC 

Division of Geochemistry 

J. Brandes, Program Chair 


Social Hour, 5:00 PM: Mon 





Surface-Involved Reactions Sponsored by 



Section A 


Mediterranean 

Geochemistry of Soils and Sediments 

J. Brandes, Organizer, Presiding 


1:05 1. Systematic characterization of soil 

and sediment organic matter using advanced 

solid-state nuclear magnetic resonance. 

J. Mao 

1:25 2. Quantitative determination of oil and 

water saturation in porous media using 

NMR chemical shift imaging. Y. Zhao 

1:45 3. Role of hematite in carbon sequestration 

conditions. R. T. Murphy, 

K. Lammers, A. Smirnov, 

M. A. Schoonen, D. R. Strongin 

2:05 4. Coal mine refuse stabilization using 

an alkaline clay by-product. 

T. E. Kovalchuk, J. Fu, D. Fulmer, 

P. Koranchie-Boah 

2:25 5. Statistical exploration of reservoir 

sediment chemistry. P. Waldo 

2:45 6. Geochemical controls and grainscale 

modeling of U(VI) mass-transfer in 

the Hanford 300-Area Aquifer. 

D. L. Stoliker, D. B. Kent, J. Yin, 

R. Haggerty, M. B. Hay, J. A. Davis, 

J. M. Zachara 



3:35 8. Estimation of formation constants of 

metal complexes: Bidentate binding to 

oxygen and nitrogen donor atoms. 

R. F. Carbonaro, Y. B. Atalay, 

D. M. Di Toro 

3:55 9. In situ ATR-FTIR, XAS, and quantum 

chemical study of chromate bonding 

mechanisms on goethite. 

C. P. Johnston, M. Chrysochoou 

4:15 10. Selective uptake and allocation of 

elements for shoot and grain of paddy in 

plain of Eastern China. X. Yuan,J.Li, 

M. Ge 

4:35 11. Chemical and geochemical similarities 

and differences between Re and Tc: 

The specific case of reduction and incorporation 

into goethite. N. P. Qafoku, 

W. Um, S. C. Smith, R. Serne, 

J. M. Westsik 

4:55 12. Adsorption of nitrate on kaolinite 

surfaces: A theoretical study. L. Tribe, 

J. D. Kubicki 

5:15 13. Reduction of nitrite and nitrate on 

iron sulfide mineral surfaces: Implications 

for the origin of life. S. Singireddy, 

A. D. Gordon, A. Smirnov, D. R. Strongin, 

M. A. Schoonen 



Metals and Metal Oxides Sponsored by 



Section A 


Mediterranean 

General Geochemistry Papers 



8:05 14. Measurement of pore structure and 

fluid flow in porous media by MRI. 

L. Jiang 

8:25 15. Molecular dynamics investigation 

of MgO-CaO-SiO2 melts: Influence of 

pressure and composition on density and 

transport properties. L. Zhang, 

J. Van Orman, D. Lacks 

8:45 16. CO 2 sequestration through mineral 

carbonation of iron oxyhydroxides. 

K. Lammers, D. R. Strongin, 

A. Riendeau, R. Murphy, A. Smirnov, 

M. A. Schoonen 

9:05 17. Management of ORP and pH for in 

situ remediation of arsenic in groundwater. 

M. F. de Flaun,W.D.Brady, 

B. L. Petty, H. B. Kerfoot 

9:25 18. Studying the interactions of trivalent 

metal ions with the silica/water interface 

using second harmonic generation. 

D. S. Jordan, J. N. Malin, F. M. Geiger 


10:00 19. Study on variation of fluoride concentration 

in shallow and deep aquifers. 

A. Tewari 

10:20 20. Aluminum-induced calcium deficiency 

syndrome in a spruce-pine forest 

in NW Russia. W. C. Shortle,K.T.Smith, 

G. B. Lawrence 

10:40 21. Surfactant-aided mobilization of 

contaminants in soil: Toward a realistic 

approach. M. Hernandez-Soriano, 

A. Pena, M. Mingorance 

11:00 22. Comparing carbon dioxide solubility 

models for the suitability for use in 

carbon sequestration resource estimates. 

A. K. Karamalidis, D. Allen, A. Goodman, 

J. Hakala 

11:20 23. Study on variation in anion concentration 

and nitrogen and oxygen stable 

isotope ratio regarding intense rain fall 

in Singapore. H. Katsura,M.Yoh, 

K. Koba, R. Balasubramanian, J. He 




Fate and Transport Sponsored by ENVR, 

Cosponsored by COLL and GEOC 


Section A 


Mediterranean 

General Geochemistry Papers 


1:00 24. Insight into chemical structures and 

potential sources of marine and coastal 

dissolved organic matter by advanced 

solid-state NMR. J. Mao, X. Kong, 

K. Schmidt-Rohr, E. Perdue 

1:20 25. Examination of the factors controlling 

mercury methylation in coastal marine 

ecosystems. R. P. Mason, 

T. A. Hollweg, C. C. Gilmour 

1:40 26. Plankton propagation possibly contributed 

by natural diffusion from subterranean 

offshore petroleum deposits. 

S. Mori 

2:00 27. New global contamination derived 

from debris plastics. K. Saido, H. Sato, 

A. Okabe, Y. Kodera, S. Chung, O. Abe, 

N. Ogawa, K. Amamiya, T. Kusui 

2:20 28. Fluxes of soot black carbon to 

South Atlantic sediments. K. Pohl, 

J. Sullivan, R. Lohmann, K. Bollinger, 

M. Cantwell, J. Feichter, I. Fischer-Bruns, 

M. Zabel 

2:40 29. Burning earth: Evaluation of 750 o C 

temperatures in an active landslide. 

H. B. Kerfoot, K. H. Kondru, S. Siciliano, 

E. D. Smalstig 


Geochemistry Sponsored by CHED, 

Cosponsored by GEOC and SOCED 






and Sorptivity Sponsored by ENVR, 

Cosponsored by GEOC 






and Sorptivity Sponsored by ENVR, 







consent from ACS.




and Carbon-Negative Strategy Sponsored 

by ENVR, Cosponsored by GEOC 


Environmental Processes Sponsored by 






Utilization of Black Carbon Products in 

Agriculture, Environmental Remediation, 

and Other Applications Sponsored by ENVR, 






Fate and Function of Black Carbon in Soil 

and Sediment Sponsored by ENVR, 


HIST 

Division of the History of 

Chemistry 

S. C. Rasmussen, Program Chair 


Section A 

Seaport Hotel 

Flagship Room A 


S. C. Rasmussen, Organizer, Presiding 

1:30 1. On the trail of a Thomas Thomson 

work published in Philadelphia. 

B. Charton, B. N. Charton 

2:00 2. Charles Darwin and chemistry. 

M. D. Saltzman 

2:30 3. Dawn of biological activity prediction. 

M. Charton 


3:15 4. Did John Frederick William Herschel 

discover molecular chirality before Louis 

Pasteur? J. Gal 

3:45 5. Robert L. Alldredge, chemical engineer, 

inventor, entrepreneur, developer of 

Octolig®. D. F. Martin 

4:15 6. Hydrogen to Copernicium: An elemental 

history of the periodic table. 

D. Rabinovich 


Section A 

Seaport Hotel 


Anna Jane Harrison: ACS President, Her 

Science and Her Legacy Cosponsored by 

WCC 

J. Hayes, Organizer, Presiding 


8:25 7. Anna J. Harrison: Teacher and 

leader. L. P. Eubanks 

8:55 8. Anna Jane Harrison at Mount 

Holyoke College. M. Campbell 

9:25 9. From toxic smoke to the structure 

and reactions of organic compounds: The 

chemical research of Anna Jane Harrison. 

J. M. Hayes 


10:15 10. Anna Jane Harrison: First woman 

elected as ACS President. H. M. Free, 

J. M. Hayes 

10:45 11. Anna Jane Harrison: Policy leader. 

M. L. Good, M. A. Cavanaugh 

11:15 12. Anna Jane Harrison from afar. 

M. F. Singleton 



the Interface 







Section A 

Seaport Hotel 


Classic Books in Chemistry VII: Physical 

Chemistry Books from New England 

Financially supported by Bolton Society 

N. Heindel, Organizer 

G. Patterson, Organizer, Presiding 

1:30 13. Physical chemistry before Ostwald: 

The textbooks of Josiah Parsons Cooke. 

W. B. Jensen 

2:10 14. Henry Adams and the application 

of thermodynamics to history. 

R. A. Egolf, P. A. Khoury 

2:40 15. Measures of the spread: The influence 

of statistics on J. Willard Gibbs and 

the influence of Gibbs on statistics. 

C. Cobb 


3:30 16. Richards the First. P. J. Karol 

4:00 17. “Chemical Thermodynamics”, by 

Kirkwood and Oppenheim. T. Keyes 

4:30 18. MIT and the physical chemistry laboratory: 

Charles Kraus and “The Properties 

of Electrically Conducting Systems”. 

G. D. Patterson 


the Interface 





PRES 



Hall C 

Sci-Mix 

S. C. Rasmussen, Organizer 

8:00–10:00 



Busted: Myths of a Chemical Nature 

Sponsored by CHED, Cosponsored by HIST 

I&EC 

Division of Industrial and 

Engineering Chemistry 

J. T. Ciszewski, Program Chair 


Section A 


Room 160B 

Green Synthesis and Materials Processing 

using Tunable Fluids Financially supported 

by Novel Chemistry with Industrial 

Applications subdivision of I&EC 

C. Kitchens, C. Roberts, Organizers, 

Presiding 


8:05 1. Supercritical carbon dioxide expanded 

polymerization of methyl methacrylate. 

J. Li, J. El Harfi, S. M. Howdle, 

D. J. Irvine 

8:25 2. Microwave-assisted polymerization 

of �-caprolactone using stannous 2-ethylhexanoate 

and purposely added alcohol. 

N. T. Nguyen, M. J. Kamaruddin, 

S. M. Howdle, S. W. Kingman, 

J. P. Robinson, D. J. Irvine 

8:45 3. Designer reversible ionic liquids for 

CO2 capture. R. Jha, A. Fadhel, 

V. Blasucci, R. Hart, P. Pollet, C. L. Liotta, 

C. A. Eckert 

9:05 4. Combining homogeneous reactions 

with heterogeneous separations for hydroformylation 

reactions using tunable 

solvents. A. Z. Fadhel,J.Ford, 

V. Llopis-Mestre, P. Pollet, C. L. Liotta, 

C. A. Eckert 


9:40 5. Precipitation and fractionation of 

nanoparticles using gas-expanded mixtures 

as tunable solvents. 

S. R. Saunders, C. B. Roberts 

10:00 6. Immobilized nanoparticle coatings 

deposited via gas-expanded liquids for 

improved microtribology control. 

K. M. Hurst, N. Ansari, C. B. Roberts, 

W. Ashurst 

10:20 7. Small angle neutron scattering of 

alkanethiol stabilized nanoparticles in gas 

expanded liquids. G. V. White, 

C. L. Kitchens 

10:40 8. Reversible reactions of CO2 with 

amino-terminated SAM’s employing a 

protection/deprotection mechanism for 

smart surfaces. F. Mohammed, 

C. L. Kitchens 



Fuels 

CO2 Capture, Gas Absorption and 

Separations Sponsored by FUEL, 

Cosponsored by I&EC 


Section A 


Room 160B 

Green Chemistry for Drugs that Make a 

Difference Financially supported by Green 

Chemistry Engineering subdivision of I&EC 

J. Manley, D. Hughes, Organizers, 

Presiding 


1:05 9. How green chemistry can contribute 

to pharmaceutical industry sustainability: 

Accomplishments and opportunites. 

B. W. Cue 

1:25 10. Laropiprant (Tredaptive): Development 

toward an efficient and green 

manufacturing process. G. R. Humphrey 

1:45 11. Green biocatalytic chemistry for 

drug manufacture. J. Grate 


2:20 12. Greening up the Grignard reaction 

in the pharmaceutical industry: Development 

of continuous stirred tank reactor 

(CSTR) processes. M. E. Kopach, 

J. Groh McClary, M. D. Johnson 

2:40 13. Enabling green chemistry through 

process research: Development of large 

scale process for a LFA-1 inhibitor. 

D. Krishnamurthy, X. Wang, R. Frutos, 

L. Nummy, T. Wirth, L. Zhang, Y. Xu, 

X. Sun, D. Reeves, C. H. Senanayake 

3:00 14. Pharmaceutical green chemistry at 

Amgen. J. L. Tucker 



Section A 


Room 160B 

Hydrocarbons from Biomass (HyBi): 

Emerging Research Financially supported by 

National Science Foundation 

S. Morton, Organizer, Presiding 


8:35 15. Hydrocarbons from biomassemerging 

frontier programs funded by the 

National Science Foundation. G. J. Antos 

9:00 16. EFRI-HyBi: Algal oils to “drop-in” 

replacements for petroleum transportation 

fuels. H. H. Lamb, J. Burkholder, 

W. L. Roberts, H. W. Sederoff, 

L. F. Strikeleather 

9:35 17. Bioengineering a system for the direct 

production of biological hydrocarbons 

for biofuels. J. V. Shanks, 

B. J. Nikolau, T. A. Bobik, G. S. Nadathur, 

G. V. Wolfe 

10:10 18. Autothermal conversion of biomass 

compounds to transportation fuels 

using multifunctional stratified reactors. 

M. Skinner, A. Bhan, L. Schmidt, 

M. Tsapatsis 

10:45 19. Fungal processes for direct bioconversion 

of cellulose to hydrocarbons. 

B. A. Peyton, N. D. Mallette, 

R. P. Carlson 


the Interface 







Section A 


Room 160B 

Hydrocarbons from Biomass (HyBi): 

Emerging Research Financially supported by 

National Science Foundation 

S. Morton, Organizer, Presiding 

GEOC/HIST/I&EC 

1:00 20. Maximizing conversion of biomass 

carbon to liquid fuel. F. H. Ribeiro, 

M. M. Abu-Omar, R. Agrawal, 

N. C. Carpita, W. Delgass, M. C. McCann 

1:35 21. Lignin deconstruction for the production 

of liquid fuels. R. Andrews, 

M. Crocker, S. DeBolt, M. Meier, 

S. A. Morton 

2:10 22. Hydrothermal liquefaction of microalgae 

to make crude bio-oils. 

P. Savage 

2:45 23. Green aromatics by catalytic fast 

pyrolysis of lignocellulosic biomass. 

G. W. Huber, J. Cho, T. Carlson, 

R. Coolman, V. Agarwal, S. Almalkie, 

Y. Lin, S. Auerbach, S. de Bruyn Kops, 

T. J. Mountziaris, W. C. Conner, 

J. M. Davis, P. Dauenhauer 

3:20 Moderator’s Remarks 

3:25 24. Biodiesel production potential of algal 

lipids extracted with supercritical carbon 

dioxide. L. Soh, J. Zimmerman 

3:50 25. Intrinsic kinetics and heats of reactions 

for cellulose pyrolysis and char formation. 

J. Cho, Y. Lin, J. M. Davis, 

G. W. Huber 






the Interface 





PRES 





TECH–59

I&EC/INOR TECHNICAL PROGRAM 


Section A 


Room 160B 

Fragrance Design: A Creative Challenge 

Cosponsored by CTA ‡ , and WCC ‡ 

Financially supported by Applied Chemical 

Technology subdivision of I&EC 

M. Moore, Organizer, Presiding 

1:00 26. Fragrance design: A creative challenge. 

M. Papas, J. Conlon 


Section A 


Hall C 


J. T. Ciszewski, Organizer 

7:00–9:00 

27. Improvement of device performance on 

membrane dialysis with ultrafiltration operation. 

C. Ho,J.Tu 

28. Novel triazine phosphonates derivatives 

as economic flame retardant for cotton. 

T. Duong Nguyen, S. Chang, B. Condon, 

E. Graves, J. Smith 

29. Kinetic study of synthesizing 1-(3-phenylpropyl)-pyrrolidine-2,5-dione 

under 

solid-liquid phase transfer catalytic condition 

assisted by microwave irradiation. 

M. Wang,C.Chen 

30. Pyrolysis characteristics and gasification 

of pine and oak trees in a fluidized bed 

reactor. S. Kim, Y. Park, J. Kim, W. Cho, 

Y. Baek 

31. Effect of operational parameters on fast 

pyrolysis of palm kernel cake using fluidized 

bed reactor. T. Ngo, Y. Seo,J.Kim, 

S. Kim 

32. Bio-oil and bio-char production from 

palm by-products in a fluidized bed reactor. 

Y. Park,T.Ngo,J.Kim,S. Kim 

33. Synthesis, characterization and photocatalytic 

activity of doped TiO 2 under visible 

light. J. Virkutyte,R.S.Varma 

34. Model-based optimization of preparative 

batch HPLC for pharmaceutical development. 

N. de Mas, O. K. Lyngberg, 

G. Stroehlein, D. C. Chen 

35. Numerical investigation of the gas production 

behavior of natural gas hydrates 

in porous sediments. X. Ruan, Y. Song, 

H. Liang 

36. Methoxycarbonylation of aliphatic diamines 

promoted by in situ generated hydroxide 

ion. D. Kim, Y. Shim, D. Nguyen, 

H. Kim, M. Cheong 

37. Preparation and characterization of mesoporous 

ceria-based catalysts for the 

production of propylene from CO 2 and 

propane. J. Baek,N.Kim,Y.Choi,J.Yi 

38. Combustion characteristics of biomass 

wastes in a bubbling fluidized bed reactor. 

K. Yoo, M. Jang, s. Park, S. Kim, 

J. Jung 

39. Optimization of operating Parameters of 

the hybrid SNCR-SCR process in a pilot 

scale flow reactor. S. Kim, K. Yoo, 

M. Jang, s. Park, W. Eom 

40. Ionic liquid as extractant for the separation 

of aromatic compounds and aliphatic 

hydrocarbons. D. Kim,H.Kim, 

M. Cheong, J. Kim, B. Ahn 

41. Zinc naphthenate effects evaluation over 

epoxy-based systems applied on insulation 

composites. C. S. Goncalves, 

T. Koreeda, A. D. Polo 

42. Scale up of a continuous pharmaceutical 

process. W. R. Perrault, D. J. Knoechel, 

D. Erdman, A. Fabian, R. Jackson, 

J. Deering, T. Fox, S. Mancini, 

E. K. Moreno, C. Rossman 

60–TECH 


43. Potentials for utilizing the solubility parameters 

in the design of single and 

mixed solvents for recycling used lubricating 

oils. N. O. Elbashir 

44. Removal of sulfur compounds from solvent 

extracts of low rank coal. K. Yi, 

I. Kim, C. Ko, S. Han, J. Kim 

45. Determination of UV filters contained in 

sunscreen cosmetic products by highperformance 

liquid chromatography. 

Y. Zuo, Y. Yang 

46. Removal of sulfones in commercial and 

model diesel by silica adsorbents: Effect 

of oxidant concentration and side products. 

C. Ko, S. Han, S. Lim, J. Park, 

J. Kim, J. Ryu, Y. Chu, Y. Kim, S. Park, 

K. Yi, J. Park, J. Kim 

47. Automatic DockOmatic: Ligand and receptor 

screening made easy. 

R. B. Jacob, C. Bullock 

48. Development of environmentally friendly 

organometallic catalysis for drug discovery. 

N. Hoshiya, S. Shuto, M. Arisawa 


Section A 


Room 160B 

Applied Metal Ion Separation Chemistry 

Financially supported by Separation Science 

and Technology subdivision of I&EC 

G. Fugate, Organizer, Presiding 


8:05 49. New approach for third phase investigation. 

M. Borkowski 

8:30 50. Novel use of ESI-IM-TOFMS for the 

analysis of inorganic uranyl compounds. 

H. H. Hill, Jr., C. L. Crawford, 

G. A. Fugate, P. R. Cable-Dunlap, 

N. A. Wall 

8:55 51. Understanding the electrochemical 

behavior of actinides to aid in their separation. 

A. E. Visser, N. J. Bridges 


9:40 52. Separations using inorganic and 

hybrid ion-exchange materials. 

D. T. Hobbs, K. M. Taylor-Pashow, 

M. C. Elvington, M. D. Nyman, 

A. Clearfield, J. Burns 

10:05 53. Understanding the role of kinetics 

in f element solvent extraction systems. 

L. R. Martin, P. R. Zalupski, 

R. D. Tillotson 

10:30 End of Session Remarks 


Section A 


Room 160B 

Applied Metal Ion Separation Chemistry 

Financially supported by Separation Science 

and Technology subdivision of I&EC 

G. Fugate, Organizer, Presiding 

1:00 Start of Session Remarks 

1:05 54. Role of the kinetics of lanthanide 

aminopolycarboxylate complexation in 

lanthanide/actinide separations. 

K. L. Nash, A. Martin, T. Shehee 

1:25 55. Toward a better understanding of 

the role of lactic acid in the TALSPEAK 

process. C. Marie, K. L. Nash, K. Uruga, 

T. S. Grimes 


2:00 56. Recent advances in extraction 

chromatography for separation of actinides 

and lanthanides. J. Sulakova, 

J. Braley, K. L. Nash 

2:20 57. Contributing to the recent discussions 

of the fundamentals of TALSPEAK 

chemistry. P. Zalupski, L. Martin 



Section A 


Room 160B 


J. T. Ciszewski, Organizer, Presiding 


8:05 58. Poisoning of mixed matrix membranes 

for fuel ethanol production from 

fermentation broths. R. D. Offeman, 

C. N. Ludvik 

8:25 59. Synthesis of novel flame retardant 

organophosphorus compounds for the 

application to cotton textile. 

M. Yoshioka-Tarver,M.W.Easson, 

B. D. Condon 

8:45 60. Multiple linear regression analysis 

of NOx and PM10 emissions from plasma 

cutting operations. R. U. Edgehill 

9:05 61. Comparison of post-stress responses 

of various porous carbon electrodes 

in supercapacitors. G. Gourdin, 

T. Jiang, P. Smith, D. Qu 


9:45 62. Survivability of Bacillus anthracis 

(Sterne strain) in processed liquid eggs. 

S. A. Khan, K. Sung, M. S. Nawaz, 

C. E. Cerniglia, M. L. Tamplin, 

R. W. Phillips, L. C. Kelley 

10:05 63. Microwave-assisted polymerization 

of �-Caprolactone using Stannous 

2-Ethylhexanoate and purposely added 

alcohol. N. T. Nguyen, M. J. Kamaruddin, 

S. M. Howdle, S. W. Kingman, 

J. P. Robinson, D. J. Irvine 



Section A 


Room 160B 


J. T. Ciszewski, Organizer, Presiding 


1:05 65. Toward zero emission of sulfur species: 

Using alumina nanofiber-based adsorbent 

for Claus tail gas processing. 

P. D. Clark, R. Sui 

1:25 66. Green synthesis of highly crystalline 

and visible-light sensitive C-, N- and Scodoped 

with Ag TiO 2 nanocatalysts. 

J. Virkutyte,R.S.Varma 

1:45 67. FCC selectivity studied in lab-scale 

units and pilot plants. G. M. Bollas, 

D. Orlicki, H. Ma 


2:25 68. Nanosized Ti doped �-Fe 2O 3:A 

novel magnetic sorbent for the removal of 

gaseous elemental mercury from flue gas. 

S. Yang, N. Yan,H.He,D.Wu,Q.Zhou 

2:45 69. Direct synthesis of hydrogen peroxide 

based on microreactor technology. 

T. Inoue, K. Ohtaki, Y. Kikutani, K. Sato, 

M. Nishioka, S. Hamakawa, K. Mawatari, 

A. Hibara, F. Mizukami, T. Kitamori 

3:05 70. DSC-like thermal analysis of large 

(gram-sized) materials used in processing, 

agriculture, building and food industries. 

P. Ralbovsky, J. L. Ralbovsky 

3:25 71. Hydrothermal synthesis of construction 

materials from river sediment 

and loess. Z. Jing, F. Jin, L. Lu, X. Pan, 

H. Ishida 

INOR 

Division of Inorganic 

Chemistry 

B. Donovan-Merkert and 

M. Millar, Program Chairs 


Section B 


Room 258C 

Organometallic Chemistry Catalysis 

N. Radu, Organizer 

O. Ozerov, Presiding 

8:30 1. Competitive C-H/C-O oxidative addition 

reactions at pincer-supported Rh 

centers and implications for catalysis. 

O. V. Ozerov, Y. Zhu, D. E. Herbert 

8:50 2. Catalytic carbene transfer reactions 

with iridium(III) porphyrins. B. J. Anding, 

L. K. Woo 

9:10 3. Comparison of the reactivities of a 

terminal alkene and an internal alkyne in 

platinum-catalyzed hydrosilylation reactions. 

M. K. Kolel-Veetil, T. M. Keller 

9:30 4. Catalytic H/D exchange and acetoxylation 

of aromatic compounds using 

novel Pt and Pd complexes. 

M. H. Emmert,M.S.Sanford 

9:50 5. Factors affecting the oxidative addition 

of N-H and C-H bonds to iridium 

complexes. D. Y. Wang, Y. Choliy, 

K. Krogh-Jespersen, J. F. Hartwig, 

A. S. Goldman 

10:10 6. Study of ethylene hydrophenylation 

catalyzed by cationic Pt(II) complexes. 

T. B. Gunnoe, B. A. McKeown, 

M. R. Friedfeld, T. R. Cundari, M. Sabat 


10:35 7. Electrophilic Ir(III) catalyzed 1,2-hydride 

shift/Friedel-Crafts alkylation sequence 

of heteroaryl enones. T. Vaidya, 

A. J. Frontier, R. Eisenberg 

10:55 8. Are formyl complexes intermediates 

in CO2 reduction catalysis? A computational 

and experimental study. 

J. G. Andino,M.Baik 

11:15 9. Oxidative addition of sp 3 -C-F and 

sp 3 -C-O bonds by pincer-ligated iridium 

complexes. J. Choi, T. J. Emge, 

K. Krogh-Jespersen, A. S. Goldman 

11:35 10. Insights into the iridium-catalyzed 

water oxidation mechanism from a DFT 

study. D. Balcells, O. Eisenstein, 

R. H. Crabtree, A. Lledos 

11:55 11. Metal oxo complexes for the catalytic 

activation of syn gas. E. A. Ison, 

J. L. Smeltz, P. D. Boyle 

12:15 12. Experimental and theoretical studies 

on the mechanism of hydrogenation 

by � 6 -arene �-diketiminato -ruthenium 

and -osmium complexes. A. D. Phillips, 

D. Schreiber, P. J. Dyson 

Section D 


Room 259A/B 

Coordination Chemistry 


D. Crans, Organizer 

M. Guo, Presiding 

8:30 13. Fe 8-based contrast agents for MRI: 

Targeting ovarian cancer cells. 

K. A. Parga, I. Chakraborty, R. G. Raptis 

8:50 14. Synthetic strategies for the development 

of novel Pt anticancer compounds. 

J. J. Wilson, J. Fedoce Lopes, 

S. J. Lippard 

9:10 15. Cobalt(III)-cyclophosphate complexes 

in aqueous solutions. M. Montag, 

C. R. Clough, P. Mueller, C. C. Cummins 

9:30 16. Insights into the interaction of thiolate-bound 

Zn 2� with nitric oxide and Snitrosothiols. 

J. Kozhukh, S. J. Lippard 

9:50 17. Rhodamine B lactam-based sensors 

for detecting biologically important 

zinc ions. P. Du, S. J. Lippard 

10:10 18. Mystery behind monomeric 

square-planar cobalt(II) acetylacetonate. 

E. V. Dikarev, J. Yang, V. D. Vreshch, 

A. S. Filatov, H. Zhang 






consent from ACS.

10:30 19. Studies on biologically important 

binary complexes in solution: The systems 

beryllium (II) and cobalt (II)- homoserine. 

B. B. Tewari, B. B. Tewari 

10:50 20. Zn(II) and Cu(II) detection with 

simple Schiff base systems. S. Khatua, 

J. Kang, K. Kim, H. Park, D. G. Churchill 

11:10 21. Development of triggereable chelating 

agents as probes for metal-induced 

oxidative stress. L. M. Hyman, 

K. J. Franz 

11:30 22. Further studies of bis(carboxylato) 

platinum(IV) compounds: Correlation between, 

liphoilicity, reduction potential, 

cellular accumulation and cytotoxicity. 

M. R. Reithofer, A. Bytzek, 

S. M. Valiahdi, C. R. Kowol, M. Groessl, 

M. Galanski, C. G. Hartinger, 

M. A. Jakupec, B. K. Keppler 

11:50 23. Anti-Fenton chemistry and detecting 

oxidative stress induced by metal and 

H 2O 2 in living cells. Y. Wei, Y. Zhang, 

Z. Liu, M. Guo 

12:30 24. Access to well-defined Ru(I) and 

Os(I) metalloradicals. A. Takaoka, 

L. C. Gerber, J. C. Peters 

Section E 


Room 257A 

General Inorganic Chemistry 

B. Donovan-Merkert, Organizer 

F. Beckford, Presiding 

8:30 25. Single-walled metal–organic nanotubes. 

K. Lu, H. Wu, Y. Jao, T. Tseng, 

S. Peng 

8:50 26. Magnificent FOX-7 can be tamed. 

S. Garg, H. Gao, B. Twamley, 

J. M. Shreeve 

9:10 27. Investigations of transition metalthiosemicarbazone 

complexes as medicinal 

agents. F. Beckford 

9:30 28. Mechanistic studies on the inhibition 

of enzymes and zinc finger transcription 

factors with cobalt(III) Schiff base 

complexes. T. A. Atesin,T.J.Meade 

9:50 29. Common fixatives used in the preservation 

of biological tissues. 

S. S. Mantravadi 

10:10 30. Copper cross-linked palindromic 

bipyridine substituted artificial tripeptides 

and the effects of anions on structure. 

J. A. Gallagher, L. A. Levine, 

M. E. Williams* 

10:30 31. Aminoethylglycine-modified ruthenium 

complexes: Scaffolds for photocatalysts. 

C. P. Myers, M. E. Williams* 

10:50 32. Duplex formation of ligand substituted 

aminoethylglycine di- and tri-peptides 

with Cu �2 . M. B. Coppock, 

J. Miller, M. E. Williams* 

11:10 33. Photophysical properties, DNA 

photocleavage, and photocytotoxicity of 

a series of dppn dirhodium (II,II) complexes. 

L. E. Joyce, J. Aguirre, 

A. M. Angeles-Boza, A. Chouai, 

P. K. Fu-Giles, K. R. Dunbar, C. Turro 

11:30 34. Photodynamic therapy for skin 

carcinomas. R. A. Khanke,P.K.Fu 

11:50 35. Impact of triarylboron on the luminescence 

of Pt(II) acetylides: Enhanced 

phosphorescence and chemical sensing. 

C. Sun, Z. M. Hudson, S. Wang 

Section F 


Room 257B 

Chemistry of Materials 

Structure and Properties 

B. Donovan-Merkert, D. Nelson, 

Organizers 

P. Dinolfo, Presiding 

8:30 36. Studying protein-inorganic nanoparticle 

interactions in ferritin model systems. 

L. Zhang, D. Liu, J. Cheung-Lau, 

J. Swift, C. Butts, I. J. Dmochowski 

8:50 37. Perfluorographane: Synthesis and 

measurement of electrical and mechanical 

properties. J. S. Burgess, 

J. T. Robinson, M. Zalalutdinov, 

K. Perkins, P. Campbell, E. S. Snow, 

B. H. Houston, J. W. Baldwin 

9:10 38. Layer-by-layer formation of molecular 

multilayers using “click” chemistry: 

Synthetic versatility and thin-film characterization. 

P. H. Dinolfo, P. K. Palomaki, 

A. Krawicz 

9:30 39. Synthesis, electronic structure, and 

alignment of graphene thin films. V. Lee, 

R. V. Dennis, C. Jaye, D. A. Fischer, 

S. Banerjee 

9:50 40. Synthesis, reaction, characterization, 

and properties of high density energetic 

alkoxynitroiminotetrazoles. Y. Joo, 

J. M. Shreeve 

10:10 41. Microemulsion strategy for the 

synthesis of nano-LiFePO 4/C composites. 

S. Jheng, J. R. Carey, J. Chen 


10:50 42. Theoretical studies and investigations 

of a proposed new allotrope of carbon. 

P. J. Bonk 

11:10 43. High power oscillating thermoelectric 

waves from exothermic reactions 

around nanoscale thermal conduits. 

M. S. Strano, J. T. Abrahamson, 

W. Choi, J. Han, K. Kalantar-zadeh 

11:30 44. Electrostatic charging of fumed 

silica particles: Effect of surface treatment 

with alkylfluorosilanes. J. Liu, 

J. K. Floess, H. Tu, D. Fomitchev 

11:50 45. Catalytic activity of aggregated 

gold nanoparticles upon irradiation of 

light. J. Kim, B. W. Lavin 

12:10 46. Chemical processing of ferroelectric 

nanostructures with variable architectural 

complexity. G. Caruntu, 

S. Adireddy, A. Yourdkhani, C. Lin 

Section G 


Room 256 

Nanoscience 

Properties and Applications 

S. Wong, Organizer 

D. Dudis, Presiding 

8:30 47. Dynamic thin film fabrication of Palladium 

nanomaterials for application in 

hydrogen gas sensing. J. Zou, S. Iyer, 

C. Raston 

8:50 48. Graphene and nanowire transistors 

for cellular interfaces and electrical recording. 

T. Cohen-Karni, Q. Qing, 

L. Qiang, Y. Fang, C. M. Lieber 

9:10 49. Size-dependant magnetism in lanthanide 

chalcogenide nanomaterials. 

W. L. Boncher, S. L. Stoll 

9:30 50. Energy generation in carbon nanotube 

induced by the chemical reaction: 

Thermopower waves. W. Choi,S.Hong, 

J. Abrahamson, J. Han, C. Song, N. Nair, 

S. Baik, M. Strano 

9:50 51. Fullerene-based Superatom thermoelectric 

materials. D. S. Dudis, 

M. Check, H. A. Seibel, J. B. Ferguson, 

B. Elliott, J. Gengler, M. Leamy 


10:40 52. Effect of surfactant and surfactant 

content on electrical conductivity of single 

walled carbon nanotubes thin films. 

J. Hahn 

11:10 53. Novel, lanthanide-based nanoparticles 

for NIR to UV energy conversion. 

J. A. Ayres, I. N. Stanton, M. J. Therien 

11:30 54. Engineering nanoparticle catalysis 

via a multimetallic core/shell structure. 

V. Mazumder,S.Sun 


12:10 56. Enhanced solar energy conversion 

at quantum dot sensitized TiO 2 photonic 

crystals and disordered films by slow 

light effects. M. El Harakeh, S. Bayram, 

S. Jaber, L. Halaoui 

Section A 


Room 258A 

Organometallic Chemistry 

Applications to Materials and Polymer 

Science 


E. Chen, Presiding 

9:00 57. Chiroptical and stereoregular polymers 

from achiral polar vinyl monomers 

by chiral metallocenium catalysts. 

E. Y. Chen 

9:20 58. “Click” synthesis of heteroleptic cyclometalated 

iridium(III) and platinum(II) 

complexes. S. Liu,T.M.Swager 

9:40 59. Tuning of electronic bandgap in 

conjugated polymers by chlorotricarbonyl 

rhenium(I) complexes. C. S. Mak, 

W. Cheung, Q. Leung, W. Chan 

10:00 60. Structure and catalysis of oxidesupported 

Ir-dimer catalysts for transfer 

hydrogenation. S. Muratsugu, 

Y. Kushida, H. Nakai, K. Isobe, T. Sasaki, 

M. Tada 


10:25 61. Isocyanate- and isothiocyanatederived 

Grubbs-Hoveyda type catalysts: 

Synthesis, structure, and activity. 

M. R. Buchmeiser, S. Kumar, I. Ahmad 

10:45 62. Ring-opening metathesis polymerization-based 

pore-size-selective 

functionalization of glycidyl methacrylatebased 

monolithic media: Access to sizestable 

nanoparticles for ligand-free metal 

catalysis. M. R. Buchmeiser, R. Bandari, 

T. Hoeche, K. Dirnberger, A. Prager 

11:05 63. Cobalt catalysts for the copolymerization 

of epoxides and carbon dioxide. 

M. R. Kember, C. K. Williams 

11:25 64. Hybrid polyoxometalates embedded 

in porous polymeric materials as heterogeneous 

catalytic systems. 

M. Carraro, M. Gardan, M. Bonchio, 

A. Sartorel, G. Scorrano 

Section C 


Room 258B 

Main Group Chemistry 


F. Gabbai, Presiding 

9:00 65. Dimethyl sulfide adduct of 9,10-dihydro-9,10-diboraanthracene: 

A powerful 

ditopic reagent for hydroboration and 

other transformations. A. Lorbach, 

M. Bolte, H. Lerner, M. Wagner 

9:20 66. Approaches to a novel boronbased 

cationic Lewis acid. A. Schnurr, 

M. Bolte, M. Wagner 

9:40 67. Synthesis of oligotopic arylborohydrides: 

Coordination chemistry and hydroboration 

reactivity. D. Franz, 

M. Wagner, M. Bolte 

10:00 68. Chiral organoborane derivatives 

based on the 1,2-ferrocenyl framework. 

J. Chen, T. Pakkarisamy, 

K. Venkatasubbaiah, F. Jäkle 

10:20 69. Carbene-stabilization of unusual 

main group molecules. Y. Wang, 

M. Abraham, P. V. Schleyer, 

G. H. Robinson 


10:50 70. Predicting the observed effect of 

force on S N2 cleavage kinetics of C–O, 

Si–O, and P–O bonds. T. J. Kucharski, 

Q. Yang, S. Akbulatov, Z. Huang, 

R. Boulatov 

11:10 71. Protonated clusters of M@Sn 9H 3and 

their relationships to the fused deltahedral 

clusters. F. S. Kocak, P. Y. Zavalij, 

B. W. Eichhorn 

11:30 72. Synthesis and anion-binding 

properties of a telluronium borane. 

H. Zhao,F.P.Gabbaï 


Section B 


Room 258C 

Young Investigator Symposium 

F. Walker, Organizer, Presiding 

1:30 73. Mechanochromic luminescence of 

difluoroboron �-diketonate molecular solids. 

G. Zhang, J. Lu, M. Sabat, 

C. L. Fraser 

2:00 74. Magnetic resonance imaging 

agents for selective copper detection. 

E. L. Que,C.J.Chang 

2:30 75. Carbon monoxide-induced cleavage 

of dinitrogen promoted by group 4 

metallocene compounds. 

D. J. Knobloch, E. Lobkovsky, 

P. J. Chirik 

3:00 76. Synthesis and anion binding properties 

of cationic main group Lewis acids. 

Y. Kim,F.P.Gabbaï 


3:40 77. Synthetic and mechanistic studies 

of the ring-opening and denitrogenation 

of pyridine and picolines by a Ti-C multiple 

bond. A. R. Fout, B. C. Bailey, 

D. M. Buck, H. Fan, J. C. Huffman, 

M. Baik, D. J. Mindiola 

4:10 78. Pathways of hydrogen evolution 

catalyzed by cobalt(II) diglyoxime complexes. 

J. L. Dempsey, J. R. Winkler, 

H. B. Gray 

4:40 79. Optical resonances in semiconductor 

nanowires. L. Cao, M. L. Brongersma 

5:10 80. Chalcogels: Novel porous metalchalcogenide 

aerogels. S. Bag, 

M. G. Kanatzidis 

Section C 


Room 258B 

Bioinorganic Chemistry 

Enzymes and Coenzymes 

M. Millar, Organizer 

E. Rybak-Akimova, Presiding 

1:30 81. Nature of the ferryl heme species in 

Compounds I and II. E. Raven, 

A. Gumiero, P. C. Moody 

1:50 82. Open conformational states of 

P450cam and a detailed pathway for 

opening of the substrate access channel. 

D. B. Goodin, Y. Lee, E. C. Glazer, 

R. F. Wilson, I. Rupniewski 

2:10 83. Using myoglobin as a model to 

study electron transfer in cytochromes 

P450 on the single molecule level. 

J. E. Jett, D. Li, D. Lederman, 

P. M. Gannett 

2:30 84. N 2 and H 2 activation by �-diketiminato 

Nickel(I) complexes and hydrogenase 

activity of resulting hydrides. 

C. Limberg, S. Pfirrmann, R. Stößer, 

B. Braun, C. Herwig 

2:50 85. ONIOM Study on a missing piece in 

our understanding of heme chemistry: 

Bacterial tryptophan 2,3-dioxygenase 

(TDO) with dual oxidants. L. Chung,X.Li, 

K. Morokuma 

3:10 86. Studying the mechanism of NO reduction 

in flavodiiron proteins with a flavin-free 

enzyme. T. Hayashi, J. Caranto, 

D. A. Wampler, D. M. Kurtz, Jr, 

P. T. Moenne-Loccoz 






INOR 

TECH–61

INOR TECHNICAL PROGRAM 

3:40 87. NMR solution studies on NikR and 

UreE: Proteins involved in the biochemistry 

of nickel. S. Ciurli 

4:00 88. Carboxylic acids enhance the activity 

of biomimetic 3d-metal complexes in 

hydrogen peroxide activation reactions. 

E. V. Rybak-Akimova, O. V. Makhlynets, 

V. G. Organo, T. D. Palluccio 

4:20 89. Ligand and metal effects on the formation 

of O 2-reactive divalent metal enolate 

complexes: Evaluation of the influence 

of water. K. Grubel, K. Rudzka, 

C. Read, A. Fuller, L. M. Berreau, 

A. M. Arif 

4:40 90. Synthesis and stability of the clusters 

[Fe 4S 4(SR) 4] 2- in aqueous and partially 

aqueous media. W. Lo,T.A.Scott, 

R. H. Holm 

5:00 91. Site-differentiated iron-sulfur single 

cubanes as possible building blocks in 

the synthesis of higher-nuclearity clusters. 

A. Majumdar,L.Deng,R.H.Holm 

Section D 


Room 259A/B 


Synthesis 


J. Scott, Presiding 

1:30 92. Zeolitic boron imidazolate frameworks. 

T. Wu, J. Zhang, C. Zhou, 

L. Wang, X. Bu, P. Feng 

1:50 93. Rational design of a porous metal 

organic framework and its gas absorption 

properties. X. Zhao,T.Wu,X.Bu, 

P. Feng 

2:10 94. Different ferroelectricity in two isostructural 

1D coordination polymers. 

L. Long 

2:30 95. Clathrochelate frameworks as the 

promising molecular scaffolds for new 

nanosized (photo)electronic devices and 

(radio)pharmaceuticals. Y. Z. Voloshin, 

O. A. Varzatskii, S. V. Shul’ga, 

A. S. Belov, I. G. Makarenko, 

K. Y. Zhizhin, N. T. Kuznetsov, 

Y. N. Bubnov 

2:50 96. Construction of high-nuclearity silver 

alkynyl clusters with anion templates. 

Q. Wang 

3:10 97. Magnetic chain compounds incorporating 

[ReCl 4(CN) 2] 2- . T. D. Harris, 

M. V. Bennett, R. Clerac, J. R. Long 


3:40 98. Using tripodal amine ligands to 

synthesize Cu-Gd bimetallic complexes. 

C. A. Barta, J. Post, B. Hervert, J. Kranz 

4:00 99. Synthesis of biorelevant zinc and 

copper complexes by utilizing bulky 

Tris(3-R-5-R�-1,2,4-triazolyl)borate 

(Ttz R,R� ) ligands. M. Kumar, E. T. Papish, 

M. Zeller 

4:20 100. New reactivity of anionic niobium 

phosphide complexes: Activation of P 4 

and generation of diatomic PN. D. Tofan, 

C. C. Cummins 

4:40 101. Design and development of reactive 

metal-ligand systems. C. C. Lu 

5:00 102. Trinuclear manganese clusters assembled 

with a novel tripodal tacn-based 

ligand. R. Cao, S. J. Lippard 


transition metal complexes supported by 

triazine-based ligands. K. D. Chisholm, 

J. Cull, J. Scott 

Section E 


Room 257A 

Electrochemistry 

62–TECH 


Y. Hao, Presiding 


1:30 104. Development of non-flammable 

electrolytes for lithium ion batteries. 

S. Dalavi, M. Xu, B. Ravdel, B. L. Lucht 

1:50 105. Inhibition of electrolyte oxidation 

in lithium ion batteries with electrolyte additives. 

T. Markmaitree,L.Yang, 

B. Lucht 

2:10 106. Electrochemical reduction of dinitrogen 

to ammonia using the 

[HIPTN 3N]Mo catalyst. T. Munisamy, 

R. R. Schrock 

2:30 107. Oxygen evolution mediated by a 

cobalt based thin film electrocatalyst. 

Y. Surendranath, D. G. Nocera 

2:50 108. Investigation of photocatalytic hydrogen 

generation by light-initiated chronoamperometry. 

J. I. Goldsmith 


3:20 109. Electrocatalysis of oxygen evolution 

reaction in Li-air batteries for energy 

storage application. Y. Lu, 

H. A. Gasteiger, Y. Shao-Horn 

3:40 110. Remarkable reactivity of ruthenium 

catalyst for C-H activation: A case 

study of alcohol oxidation. A. Paul, 

J. Hull, Z. Chen, T. J. Meyer 

4:00 111. Electron transfer on vertically 

aligned carbon nanofibers. E. C. Landis, 

R. J. Hamers 

4:20 112. Effect of cationic species on the 

oxygen reduction reaction (ORR) activity 

of perovskite transition metal oxides in 

the alkaline environment: Elucidating the 

charge transfer mechanism on model oxide 

surfaces. J. Suntivich, N. Yabuuchi, 

H. A. Gasteiger, Y. Shao-horn 

4:40 113. Formation of Au nanoparticles 

through reduction of Na 3Au(SO 3) 2 by 

electrochemically evolved hydrogen. 

Y. Hao, Y. Li, C. Huang, C. Muangphat 

Section F 


Room 257B 


Novel Applications 

D. Nelson, Organizer 

P. Kim, Presiding 

1:30 114. Employing permanganate oxidations 

in organic chemistry as a synthetic 

route toward LiMn 2O 4 spinel, a Li-ion 

battery cathode material. B. M. Bartlett, 

B. J. Liddle, B. P. Clifford 

1:50 115. Cobalt-based catalyst deposited 

on low-bandgap semiconductor photoanodes 

for visible-light induced water oxidation. 

R. Costi, E. R. Young, V. Bulovic, 

D. G. Nocera 

2:10 116. Hafnium (IV) and zirconium (IV) 

porphyrinato and phthalocyaninato diacetate 

complexes as new dyes for solar 

cell devices. I. Radivojevic, C. M. Drain, 

M. Sfeir, C. T. Black, B. P. Burton-Pye 

2:30 117. New Tantalum (oxy)nitride photocatalysts 

designed for overall water splitting 

under visible light. C. Ho, 

M. J. Randall, P. T. Snee, K. Low 

2:50 118. Role of inorganic anions in crystal 

engineering of novel materials for nonlinear 

optics based on hydrogen bonded 

salts of polarizable organic molecules. 

I. Nemec, I. Matulkova, M. Fridrichova, 

I. Cisarova, R. Gyepes, P. Nemec 

3:10 119. Hierarchical self-assembly of 

nanoparticles and nanofibers: Toward 

photocatalysis. F. O. Ochanda, 

M. R. Barnett 


3:50 120. Development of thin film cobalt 

metal anode as scaffold and Co 2� source 

for formation of cobalt-based water oxidation 

catalyst. E. R. Young, V. Bulovic 

4:10 121. Facile size-tuning of gold nanoparticles 

onto thiol functionalized carbon 

nanotubes and their electrocatalytic activity 

for oxygen reduction reaction. 

J. Kim, S. Lee, S. Chen, Y. Shao-Horn 

4:30 122. Phthalocyanines for thermoelectric 

applications. D. S. Dudis, 

J. Shumaker, C. Chen, J. B. Ferguson, 

J. E. Schmidt, E. Kemp, A. V. Fratini 

Section G 


Room 256 

Nanoscience 

Zero-dimensional Structures 


J. Pettibone, Presiding 

1:30 123. AuPt nanoparticles with a Pt-rich 

surface layer. Z. Xu, J. Suntivich, J. Kim, 

C. Carlton, H. Gasteiger, Y. Shao-Horn, 

K. Hamad-Schifferli 

1:50 124. Pd 0 ,Ag 0 , and Au 0 nanoparticles 

supported on porous, thermally stable 

M IV phosphonate frameworks. 

H. P. Perry, J. Law, A. Clearfield 

2:10 125. Synthesis and shape control of Pt 

and Pt-based alloy nanocrystals. 

Y. Kang, X. Ye, C. B. Murray 

2:30 126. Nanocomposite materials: A simple 

route toward effective supported 

nanocatalysts. S. E. Hunyadi Murph, 

E. B. Fox, S. Serkiz, H. Colon-Mercado, 

L. Sexton, R. D. Torres, M. Siegfried 

2:50 127. Growth and formation of tunable, 

monodisperse phosphine-protected gold 

clusters. J. M. Pettibone, J. W. Hudgens 


3:30 128. Shape controlled colloidal synthesis 

of rock-salt lead selenide nanocrystals. 

A. M. Jawaid, D. Asunskis, 

L. Hanley, P. T. Snee 

4:00 129. Quantitative and size-tunable 

quantum growth using sec-phosphine 

chalcogenide anion sources. 

C. M. Evans 

4:20 130. Rational synthesis of heterostructured 

nanoparticles with shape control. 

C. Wang, V. R. Stamenkovic, 

N. M. Markovic 

4:40 131. Generalized strategy for the photochemical 

synthesis of group II-VI nanoparticles. 

T. Warwick, W. Thornley, 

T. E. bitterwolf 

5:00 132. Simple synthesis of Pd-Fe3O4 

heterodimer nanocrystals and their applications 

to magnetically recyclable catalyst 

for Suzuki cross-coupling reactions. 

Y. Jang,T.Hyeon 

Section A 


Room 258A 

Commemoration of the Founding of the 

ACS Journal Organometallics 

Reminiscences, Catalysis, Main Group, 

Organosilicon 

D. Lichtenberger, Organizer 

M. Bochmann, Presiding 


2:00 133. Third generation: Thousands of 

new catalysts for olefin metathesis. 

R. R. Schrock, A. J. King, S. Marinescu, 

Y. Zhao, A. Lichtscheidl, M. Flook, 

L. Gerber 

2:30 134. Dietmar Seyferth’s favorites: The 

elements of group 14. H. W. Roesky 

3:00 135. Researches on unusual molecular 

organic compounds of the lanthanides. 

M. F. Lappert 


3:45 136. New pathways in metal-mediated 

transformations of organosilicon compounds. 

D. Tilley 

4:15 137. Stoichiometric and catalytic reactions 

of the (pentamethylcyclopentadienyl)silicon(II) 

cation. P. Jutzi, 

K. Leszczynska, A. Mix, B. Rummel 

4:45 138. Heteroallenes E�C�E� (E, E�� 

group 14 and 15 elements). J. Escudie 

5:15 139. Changing pathways by replacing 

carbon by silicon: Examples in d and f 

transition metal compounds. 

O. Eisenstein 

Synthetic Chemistry for Biological Imaging, 

Quantitation, and Discovery Sponsored by 

BIOL, Cosponsored by INOR 


Section A 


Hall C 



7:00–9:00 

140. New chiral dinuclear platinum(II) complexes 

bridged by tartrate: Unique diastereoselective 

effect on antitumor growth 

inhibition. S. Kaizaki 

141. Analysis of DNA mismatches and potassium 

ions using an aptamer probe and 

light switch complex. J. Kim 

142. Detection of small molecules and ions 

using conformational changes of DNA 

aptamers. J. Kim, B. N. Oh,M.Cha 

143. Near-stoichiometric conversion of hydrogen 

peroxide to oxoiron(IV) intermediates 

at nonheme iron centers. F. Li, 

J. England, L. Que 

144. Olefin cis-dihydroxylation with bio-inspired 

iron catalysts containing facial N, 

N, O-ligands that mimic the active site of 

Rieske dioxygenases. Y. Feng, 

P. D. Oldenburg, L. Que 

145. Reaction paths in Mg(II) and Ca(II) catalyzed 

transesterification of an RNA model 

phosphodiester. D. O. Corona-Martínez, 

A. K. Yatsimirsky 

146. Reactivity of thiolate dinitrosyl iron 

complexes with dioxygen. H. Kalyvas, 

E. Kim 

147. Synthesis and dioxygen reactivity of Nbound 

dinitrosyl iron complexes. 

K. M. Skodje,N.Tran,E.Kim 

148. Investigating the NO reduction mechanism 

in terminal oxidases by low temperature 

photolysis studies. T. Hayashi, 

P. T. Moenne-Loccoz 

149. Active site of carbon monoxide dehydrogenase: 

Electronic structure studies of 

bridged molybdenum-copper complexes. 

A. Dinescu,J.Ash 

150. Investigating the nickel- and cobaltspecific 

response in the E. coli transcriptional 

derepressor, RcnR. K. A. Higgins, 

M. J. Maroney 

Section B 


Hall C 


B. Donovan-Merkert, M. Millar, Organizers 

7:00–9:00 

151. Transition metal-salicylaldehyde complexes: 

Photophysical properties and applications. 

J. E. Bates, J. E. McGarrah 

152. Novel hydrogen-bonded host lattice 

built of 1-(diaminomethylene)thiourea and 

its derivative of 3-amino-1,2,4-thiadiazole-5-carbamate 

anion. J. Zhang, Q. Li 

153. Synthesis, luminescent and electrical 

characterization of two ruthenium complexes. 

S. Manickam, S. Sivasankaran, 

B. Varghese, R. Ramanathan 

154. Characterization of proton coupled 

electron transfer in a biomimetic oxomanganese 

complex: Evaluation of the DFT 

B3LYP level of theory. T. Wang, 

G. Brudvig, V. Batista 

155. New class of chiral ligands for the aqueous, 

lanthanide-catalyzed carbon–carbon 

bond-forming reactions. Y. Mei, 

P. Dissanayake, M. J. Allen 






consent from ACS.

156. Correlation of Lewis acidity with halogen 

substitution of triphenyl borate: Acceptor 

number determinations from 31 P 

NMR data of Et 3PO-B(OAr) 3 adducts. 

D. C. Wilson, R. Potter, 

T. D. Smurthwaite, D. M. Camaioni, 

J. C. Linehan, T. Autrey, D. M. Schubert 

157. Attachment of tris(pyrazolyl)borate ligands 

to synthesis beads. R. M. Tarkka, 

P. J. Desrochers, B. Bowlin, A. Roller 

158. Effect of sintering conditions on micro 

structure and chemical properties of 

polyphenylcarbosilane. W. Kwon,S.Kim, 

Y. Lee, Y. Kim, R. R. Bhave 

159. Transition metal isomorphous substitution 

in vanadosilicate AM-6 framework. 

M. N. Ismail, D. Shea, J. Warzywoda, 

A. Sacco, Jr. 

160. Effects of chirality on Shiff base ligands 

and complexes. M. A. O’Connor, 

A. W. Addison 

161. Heterometallic metal-titanium(IV) oxo 

cages: Key building blocks for hybrid materials. 

S. Eslava, F. Hengesbach, 

M. McPartlin, D. S. Wright 

162. Magneli phases from ilmenite and rutile 

at lower temperature. S. Sivasankaran, 

S. B, R. Ramanathan 

163. Synthesis and characterization of aminoaryl 

substituted cyclic and polymeric 

phosphazenes. C. Kumas, P. Devulapalli, 

P. Wisian-Neilson 

Section C 


Hall C 

Nanoscience 

Novel Nanostructures 


7:00–9:00 

164. Structures, spectra, reaction energies 

and oxidation trends of NH 4Cl nanocrystallites. 

R. Q. Topper, W. V. Feldmann, 

I. Markus 

165. Investigation of laser-induced fabrication 

of free-standing, 3D metal microstructures. 

D. W. Bemis, S. Converse, 

M. Amos, R. A. Farrer 

166. Organometallic, light-harvesting building 

blocks for double salt complexes. 

V. Phillips, L. H. Doerrer 

167. On the expanding role for ionic liquids 

in nanomaterials synthesis. 

J. D. Woodward, G. A. Baker, S. Dai, 

S. N. Baker, A. J. Rondinone, P. Fulvio, 

H. Zhao 

168. Single molecule super-resolution imaging 

of surface enhancement hotspot. 

H. Cang, X. Zhang 

169. Growth and density control of nanometric 

FeNi cyanide-bridged objects on functionalized 

Si(100) surface. S. Tricard, 

B. Fleury, F. Volatron, 

C. Costa-Coquelard, S. Mazerat, V. Huc, 

C. David, F. Brisset, F. Miserque, 

P. Jegou, S. Palacin, T. Mallah 

170. Exploring formation and magnetic behavior 

of metal co-ordinated 

pyrogallol[4]arene capsules. H. Kumari, 

C. Dennis, A. Mossine, J. L. Atwood 

171. Chlorination for retrieving non-IPR 

fullerene[78]. S. Xie, L. Zheng, R. Huang 

172. Preparation of highly conductive and 

transparent thin films from single-walled 

carbon nanotubes via spin coating process. 

J. Jo, J. Jung, J. Lee, W. Jo 

173. Noncovalent functionalisation of purified 

and filled carbon nanotubes by fluorescent 

and biocompatible hosts for molecular 

imaging applications. Z. Hu, 

R. Arrowsmith, R. M. Tyrrell, S. I. Pascu 

174. Electrocatalytic activity of nitrogendoped 

carbon nanotube cups. Y. Tang, 

B. L. Allen, D. R. Kauffman, A. Star 

175. Kinetic Monte Carlo model predicting 

the short-circuit current of a P3HT-SWNT 

planar heterojunction solar cell. 

G. L. Paulus, M. Ham, M. S. Strano 

Section D 


Hall C 


D. Nelson, M. Millar, Organizers 

7:00–9:00 

176. Identification of DNA structural motifs 

for hydroxyapatite binding and biomineralization. 

S. Ngourn, S. Landry, 

J. Anderson, A. E. Gerdon 

177. Spin lattice model of vanado-alkyldiphosphonate 

determined by electronic 

structure calculations. H. Koo 

178. Antimicrobial-modified mesoporous 

particles as functional carriers for hygienic 

paper. J. Snow, Z. Ziaee, H. Xiao 

179. New ALD and MOCVD metal precursors 

for transparent oxide thin films. 

T. Chung, C. G. Kim, I. Jung, B. K. Park 

180. Growing superconducting ironoxypnictide 

nanowires. P. Sood, M. Nath, 

S. Patil, E. S. Hallstrom 

181. Preparation and characterization of mesoporous 

tin oxide thin film. Y. Kim, 

E. Jung, S. Kim, W. Seo, Y. Lim 

182. Novel germanium complexes as promising 

precursors for nonvolatile memory 

Ge 2Sb 2Te 5 (GST) device. T. Chung, 

C. G. Kim, B. K. Park, Y. Lee 

183. Modified TiO 2: Visible light responding 

photocatalyst. F. Zuo, L. Wang, T. Wu, 

D. Borchardt, P. Feng 

184. Assembly of supertetrahedral T5 copper-indium-sulfide 

clusters into super-supertetrahedron 

of infinite order. L. Wang, 

F. Zuo, T. Wu, X. Zhao, X. Bu, J. Wu, 

P. Feng 

185. Solid solubility limit of manganese in 

AgInSe 2 chalcopyrites. J. D. Lucas, 

K. Balamurugan, J. Yao, J. A. Aitken 

186. Proximity effect in Pt and CoFe 2O 4 

nanoparticles confined within the mesoporous 

shell of a silica microsphere. 

D. Kang, M. Eum, K. Lee, H. Lim, N. Hur 

187. Making molecular multilayers using 

“click” chemistry: Growth and thin film 

characterization. P. K. Palomaki, 

P. H. Dinolfo 

Section E 


Hall C 



D. Crans, M. Millar, Organizers 

7:00–9:00 

188. Syntheses, structures, and properties of 

Co(II)-based ionic liquids. T. Peppel, 

M. Köckerling 

189. Reversible 2D-3D framework transformation 

within a prototype metal-organic 

framework. Z. Chen, S. Xiang, D. Zhao, 

B. Chen 

190. Selective gas adsorption within a fiveconnected 

porous metal-organic framework. 

M. Xue, Z. Zhang, S. Xiang, 

C. Liang, Z. Jin, G. Zhu, S. Qiu, B. Chen 

191. Reactivity of a reduced zirconium-heterobimetallic 

toward small molecule activation. 

B. P. Greenwood,G.T.Rowe, 

C. M. Thomas 

192. Comparison of the reactivity of zirconium-cobalt 

complexes with small molecules. 

J. W. Napoline, B. P. Greenwood, 

C. M. Thomas 

193. Speciation of Hg2� and Zn2� in the 

presence of tridentate N,N,S ligand: An 

electrospray ionization mass spectrometry 

study. M. Nestor, D. Bebout 

194. Luminescent nitrogen and sulfur adducts 

of copper(I) salts. R. D. Pike, 

S. M. McCullough, J. P. Safko, 

L. E. Dunaway, M. D. Dembo, 

H. H. Patterson, C. A. Bayse 

195. Ground and excited-state coordination 

of Ru(bpy) 2(ppz) 2� (ppz-4�7�-phenathrolino-5�6�:5,6-pyrazine). 

A. Perri, 

H. D. Gafney, J. Kolombogias, N. Alper, 

S. Chow, G. Iberrola 

196. Comproportionation reactions as a 

route to new high oxidation state manganese 

clusters and single-molecule magnets. 

S. Mukherjee, K. A. Abboud, 

W. Wernsdorfer, G. Christou 

197. Precursor Chemistry for MOCVD of 

functional metal oxides of Zn and Co. 

D. Bekermann, M. G. Walawalkar, 

A. Devi, R. A. Fischer 

198. Octahedral hexanuclear transition metal 

clusters: Novel small molecule transformations. 

L. Szczepura 

Section F 


Hall C 


Synthesis 


7:00–9:00 

199. Stereogenic nitrogen centers with specific 

configuration: Coordination of chiral 

diamines to transition metals. 

P. K. Eckert, G. Dropalla, V. H. Gessner, 

C. Strohmann 

200. Study of ferrocene and ruthenocene 

based dipyrromethene ligands and their 

metal complexes. M. R. Malachowski, 

M. F. Grau, J. Thomas, A. B. Dru, 

L. Margerum 

201. Synthesis of new N-functionalized 

1,4,7-triazacyclononane (TACN) ligands 

and their Copper(II) coordination chemistry. 

E. Garcia, G. R. Weisman, 

E. H. Wong, C. Moore, J. A. Golen, 

A. L. Rheingold 

202. Coordinatively unsaturated polynuclear 

mixed-valent oxo-centered tin carboxylates. 

A. V. Zabula, A. S. Filatov, 

M. A. Petrukhina 

203. Tetranuclear copper(I) carboxylates: 

The effect of a stepwise increase in Lewis 

acidity on solid state structures and photoluminescence. 

O. Hietsoi, C. Dubceac, 

A. S. Filatov, M. A. Petrukhina 

204. Energy transfer in highly-ordered multilayer 

thin films of CdSe quantum dots 

and Au nanoparticles. T. M. Dansereau, 

S. K. Panda, M. A. Petrukhina 

205. First palladium �-complex of corannulene. 

S. N. Spisak, A. S. Filatov, 


206. Dirhodium paddlewheels with functionalized 

carboxylate bridges: Self-Assembly 

and catalytic properties. M. Napier, 

K. D. Kumar, A. S. Filatov, E. V. Dikarev, 


207. Structure and reactivity of gold(III) terpyridine 

complexes. M. C. Hardwick, 

V. Gomez, C. Hahn 

208. Synthesis and characterization of Ag(I) 

and Pd(II) complexes with pyridine substituted 

N-heterocyclic carbene ligands. 

G. Y. Kim, H. J. JUng, G. Park, D. Lee 

209. Mixed-valence tri- and octanuclear iron 

oxo pyrazolate complexes: Effect of terminal 

substitutions on electronic delocalization 

probed by various spectroscopic 

analyses. I. Chakraborty, D. M. Pinero, 

Y. Sanakis, R. G. Raptis 

210. Heterometallic mixed-ligand alkoxide/ 

beta-diketonate complexes of tin and 

transition metals. C. M. Lieberman, 

V. D. Vreshch, E. V. Dikarev 

211. Chemical and thermal stability, and 

gaseous catalytic and sensing behaviors 

of ZnO/(La,Sr)CoO 3 composite nanowire 

arrays. A. Cai 

Section G 


Hall C 



7:00–9:00 

212. Synthesis, electrochemistry and chemical 

oxidation of ferrocenyl(phenyl)phosphine 

chalcogenides. R. U. Kirss, 

M. J. Verschoor-Kirss, R. Conry, 

C. M. Verschoor, O. Hendricks 

213. Investigation of novel electrolytes for 

lithium ion batteries. L. Zhou,M.Xu, 

B. L. Lucht 

214. Suppression of internal pressure in Li 

ion battery containing oxygen gas from 

lithium rich layered oxide. D. Lee,D.Im, 

Y. Ryu, V. Roev, S. Lee, J. Yoon, W. Choi, 

J. Lee, C. Back, I. Jung, S. Lee, S. Doo 

215. Surface proton-couple electron transfer: 

Effects of diversified factors. Z. Chen, 

J. J. Concepcion, J. W. Jurss, T. J. Meyer 

216. Interlocking electrodes fabricated by RF 

magnetron sputtering for lithium thin film 

batteries. Y. Chung,H.Kim,S.Yu, 

K. Kim, Y. Sung 

217. Structural improvement of cathode catalyst 

layer in direct methanol fuel cell. 

N. Jung,Y.Cho,J.Lim,M.Ahn,Y.Kang, 

D. Chung, Y. Sung 

218. Electrocatalytic reduction of nitric oxide 

(NO) mediated by the inducible nitric oxide 

synthase oxygenase domain (iN- 

OSoxy). J. Boutros, M. Bayachou 

219. Composite electrode for improved oxygen 

reduction. A. C. Marschilok, S. Lee, 

S. Zhu, C. Lee, C. Milleville, P. Chen, 

E. S. Takeuchi, K. J. Takeuchi 

220. New synthetic strategies towards lower 

cost, sustainable energy materials. 

K. J. Takeuchi, S. Zhu, A. C. Marschilok, 

E. S. Takeuchi 

221. Vanadium based cathodes for use in 

lithium based batteries: Opportunities for 

multiple electron transfer. E. S. Takeuchi, 

C. Lee, Y. Kim, A. Subramanian, 

A. C. Marschilok, K. J. Takeuchi 

Section H 


Hall C 

Inorganic Catalysts 


7:00–9:00 

222. Hydrogen generation from the sodium 

borohydride hydrolysis reaction using 

hollow nanoparticles as catalysts. Q. Cui, 

Y. Sha, J. Pelealuw, J. Chen, Z. Gu 

223. Substituent effects in 

[Ni(P 2 R N2 R� )2](BF 4) 2 proton reduction 

electrocatalysts. U. J. Kilgore, 

D. H. Pool, J. A. Roberts, A. M. Appel, 

D. L. DuBois, R. M. Bullock 

224. Modifying the oxide composition of carbon 

supported PtRu-M ternary nanoparticles 

via pH control for methanol oxidation 

reaction. K. Choi, T. Jeon, H. Park, 

N. Jung, Y. Chung, Y. Sung 

225. Development of chiral diketiminate type 

ligands for asymmetric catalysis. G. Du, 

S. Abbina, Z. Lu, P. I. Binda 

226. Niobium-based oxide semiconductor 

nanowires possessing superior photocatalytic 

properties. K. Saito,A.Kudo 

227. Structural and dynamics studies of catalytic 

intermediates of hydrogen oxidation 

catalysts containing proton relays. 

M. J. O’Hagan,J.Y.Yang,W.J.Shaw, 

R. Bullock, D. L. DuBois 

228. New ligands for dimeric transfer hydrogenation 

catalysts. E. Macintosh, 

S. Muhia, B. Avitia, E. Kelson 

229. Preparation of nickel and palladium 

electrocatalysts for the reduction of CO 2. 

B. J. Boro, M. Bullock, D. L. DuBois 

230. Microwave-assisted synthesis of manganese 

oxide octahedral molecular 

sieves: Effects of flow rates, power delivery, 

and solvent system. N. N. Opembe, 

C. K. King’ondu, S. L. Suib 





INOR 

TECH–63


231. Biotransformation using artificial cofactors 

photogenerated by metal complexes. 

J. Kim,J.A.Kim 

232. Synthesis and structure of intermediates 

in copper-catalyzed alkylation of diphenylphosphine. 

M. F. Cain, 

R. P. Hughes, D. S. Glueck, J. A. Golen, 

C. E. Moore, A. L. Rheingold 

Section I 


Hall C 


Catalysis 


7:00–9:00 

233. Synthesis, characterization and reactivity 

of a novel arylspiroboronate ester. 

G. M. Lee, C. M. Vogels, A. Decken, 

S. A. Westcott 

234. Approaches to the synthesis of C 3symmetric 

P-stereogenic triphosphine ligands. 

M. F. Cain, D. S. Glueck 

235. Platinum (II) catalysts for the hydroarylation 

of olefins: Effect of ligand donor 

strength on catalytic activity. 

M. R. Friedfeld,B.A.McKeown, 

M. Sabat, T. B. Gunnoe 

236. Transformation of bridging methylene 

to methyl in complexes of Rh/Os and Ru/ 

Ir. R. L. DeKock, B. J. Burkhart, 

B. M. Brandsen 

237. Double activation of the geminal 

carbon�hydrogen bonds in 1,3-butadiene 

by a diiridium complex. 

B. J. Burkhart,R.L.DeKock 

238. Formation of methyl acrylate from CO 2 

and ethylene via methylation of nickelalactones. 

C. Bruckmeier, 

M. W. Lehenmeier, R. Reichardt, 

S. Vagin, B. Rieger 

239. Visible light-driven hydrogen production 

catalyzed by nickel and cobalt catalysts 

containing cyclic phosphine ligands with 

pendant bases. M. P. McLaughlin, 

T. M. McCormick, R. S. Eisenberg, 

P. L. Holland 

240. Catalytic epoxidation of alkenes using 

tripodal titanium polyhedral oligomeric 

silsesquioxane (Ti-POSS). E. H. Aish, 

M. Crocker, F. T. Ladipo 

241. Palladium-catalyzed synthesis of carbazoles 

via C-C cleavage. S. L. Rogers, 

A. R. Chianese 

242. Synthesis, characterization, and catalytic 

activity of iridium-CCC-pincer complexes. 

A. Mo, A. R. Chianese 

243. Rigid, sterically diverse N-heterocyclic 

carbene-pyridine chelates: Synthesis, 

mild palladation, and palladium-catalyzed 

allylic substitution. P. T. Bremer, 

A. R. Chianese 

244. Preparation of ruthenium carbene complexes 

based on a novel NHCP ligand for 

ROMP reactions. H. Salem, M. Schmitt, 

U. Blumbach, P. Hofmann 

245. Cationic Pt and Pd complexes for C—H 

bond functionalization. M. H. Emmert, 

M. S. Sanford 

246. Theoretical studies of the activation of 

carbon dioxide using transition metal 

�-diketiminato complexes. C. Liu, 

T. Cundari, A. Wilson 

247. How might intermediate Q of methane 

monooxygenase oxidize strong C-H 

bonds: Mechanistic insights from studying 

synthetic models. G. Xue,R.DeHont, 

E. Münck, L. Que, Jr. 

248. Search for the catalytic allylic CH-amination 

of alkenes by Pd(II) and Pt(II) complexes 

supported by bis-(di-t-butylphosphino)methane 

(dtbpm). M. Ferreira, 

P. Hofmann, V. B. Romakh, C. Jokisch 

249. Novel dinuclear Ru-complex for water 

oxidation. E. V. Johnston, E. A. Karlsson, 

M. D. Kärkäs, B. Lee, B. Åkermark 

64–TECH 


Section J 


Hall C 

Environmental Aspects of Inorganic 

Chemistry 


7:00–9:00 

250. DFT calculations leading to multiscale 

modeling of CO 2 solutions. 

O. A. Olatunji-Ojo, T. R. Cundari, 

S. K. Boetcher 

251. Comparison between acid aerosol exposure 

of asthmatic schoolchildren and 

traffic density in metropolitan Taipei. 

C. Lin,I.Mao,Y.Chen,F.Sung,M.Chen 

252. Characterization and carbon dioxide reactivity 

of dinuclear molybdenum complexes. 

C. T. Tran,E.Kim 

253. Activation of CO 2 by bis(dithiolene- 

)tungsten complexes relevant to DMSO 

reductase. J. Seo,E.Kim 

254. Rhodamine based sensor for nerve gas 

mimics: Crystal structures and structure 

function relationship. A. J. Weerasinghe, 

C. S. Schmiesing, E. Sinn 


Section C 


Room 258B 


Synthesis and Characterization 


C. Thomas, M. Buchmeiser, Presiding 

8:30 255. Alkyne chemistry of low valent Cr 

complexes supported by �-diimine ligands. 

J. Shen,G.P.Yap, 

K. H. Theopold 

8:50 256. Coordination of a novel family of 

tridentate bis-aryloxide-NHC chelating ligands 

to Ti(IV) and Zr(IV): Synthesis, 

structure, reactivity and use of the derived 

complexes in the controlled ROP of 

rac-lactide. S. Dagorne, 

S. Bellemin-Laponnaz, C. Romain 

9:10 257. Electronic factors affecting metalmetal 

interactions in early/late heterobimetallics: 

Substituent effects in Pt/Zr 

bis(phosphinoamide) complexes. 

B. G. Cooper,C.M.Thomas, 

C. M. Fafard 

9:30 258. Unique primary carbon-nitrogen 

bond scission across a W-W multiple 

bond and methyl dehydrogenation. 

S. Sarkar, J. A. Culver, A. R. Peloquin, 

I. Giviriga, K. A. Abboud, A. S. Veige 


9:55 259. Amidinate-supported tungsten(VI) 

silyl complexes. M. E. Fasulo, T. D. Tilley 

10:15 260. Synthesis, interconversion, and 

reactivity of titanaaziridines and titanaoxiranes. 

L. Li, K. E. Kristian, J. R. Norton 

10:35 261. Carbon dioxide reduction by 

low-valent molybdenum complexes. 

W. H. Bernskoetter, B. Tyler 

10:55 262. When “dispersion” means “cohesion”: 

The crucial role of London force 

in bimetallic systems. J. Djukic, 

S. Grimme, T. Schwabe, I. Hyla-Kryspin 

11:15 263. Mid-valent early transition metal 

chemistry with derivatives of the bicyclic 

guanidinate hpp — (hexahydropyrimidopyrimidinate). 

L. Messerle 

11:35 264. Polymer-supported, CO 2-protected 

N-heterocyclic carbenes: Synthesis 

and application in organo- and organometallic 

catalysis. M. R. Buchmeiser, 

G. M. Pawar 

Section D 


Room 259A/B 

Luminescence and Magnetism of 

Lanthanide-Containing Materials 

A. De Bettencourt Dias, Organizer 

C. Cahill, Organizer, Presiding 


8:35 265. Luminescent Eu(III) complexes incorporated 

into bulge-like structures in 

DNA selectively bind small molecules. 

J. R. Morrow, J. J. Kim, M. G. Frith, 

R. Haner 

9:05 266. Synthesis, crystal chemistry and 

magnetic properties of RE 5–xMg xGe 4 

(RE � Gd-Lu and Y) and RE 5–xLi xGe 4 

(RE � Nd, Sm, Gd). S. Bobev 

9:35 267. Controlling and exploiting energy 

transfer pathways in luminescent lanthanide 

complexes. S. Faulkner 


10:15 268. Benefits from polarized luminescence 

of Ln(III)-containing systems. 

G. Muller 

10:45 269. Lanthanide-based hybrid nanoparticles 

for biomedical imaging. W. Lin 

11:15 270. Naphthalimide sensitized lanthanide(III) 

luminescence. A. H. Shelton, 

D. Sykes, M. D. Ward 

11:35 271. Room temperature colloidal synthesis 

of magnetic EuTe nanoparticles. 

W. He, S. Somarajan, D. Koktysh, 

J. Dickerson 


Section E 


Room 257A 

Inorganic Chemistry 

M. Millar, S. Koch, Organizers 

J. Protasiewicz, W. Armstrong, Presiding 

8:30 272. Inorganic physiology: Remodeling 

of the cellular metallome in infectious disease 

and mammalian development. 

T. V. O’Halloran 

9:10 273. Facile photochemical release of 

NO from a rhodium nitrosyl complex. 

A. Bakac, W. Song, K. Kristian 

9:30 274. Electroactive cages and their linear 

conjugates: Inorganic-organic hybrid 

platforms for chemical sensing and electron 

transport. D. Lee 

9:50 275. Structural chemistry and properties 

of metal organic frameworks based 

on polyazaheteroaromatic ligands. 

W. Ouellette, A. V. Prosvirin, 

K. R. Dunbar, J. A. Zubieta 

10:10 276. Platinum in molecules and platinum 

in chains. L. H. Doerrer 

10:30 277. Postsynthetic modification of 

aluminum-based metal-organic frameworks. 

S. M. Cohen 

10:50 278. Synthesis and reactivity of metal 

ion clusters. S. Banerjee, X. Zhang, 

W. Lo, S. Vaddypally, W. H. Armstrong 

11:10 279. Synthesis and iron chemistry of 

novel biomimetic triptycene-based ligands. 

Y. Li, S. J. Lippard 

11:30 280. Phosphorus as a carbon-copy 

and as a photo-copy. J. D. Protasiewicz, 

M. P. Washington, V. B. Gudimetla 

11:50 281. Selective aerobic oxidation reactions 

involving organometallic C-H activation 

pathways. S. S. Stahl 

12:10 282. Catalytic, selective C-H bond 

functionalizations with main group reagents. 

J. F. Hartwig, D. W. Robbins, 

C. W. Liskey, E. M. Simmons 

Section F 


Room 257B 


Magnetism and Electronic Effects 


G. Halder, I. Bersuker, Presiding 

8:30 283. Single-molecule magnetic and dipolar 

bistability induced by the Jahn- 

Teller effect. I. B. Bersuker, 

P. Garcia-Fernandez 

8:50 284. Cobalt coordination and clustering 

in �-Co(OH) 2: Tuning magnetic properties 

with kinetically controlled hydrolysis. 

J. R. Neilson, J. A. Kurzman, 

B. C. Melot, D. P. Shoemaker, 

R. Seshadri, D. E. Morse 

9:10 285. Catalysts supported on magnetic 

mesocellular foams for versatile organic 

transformations. S. Lee,S.N.Riduan, 

N. Erathodiyil, J. Lim, Y. Han, J. Y. Ying 

9:30 286. Magnetic and structural studies of 

the frustrated kagomé antiferromagnet 

Herbertsmithite, ZnCu 3(OH) 6Cl 2 and its 

structural analogs. D. E. Freedman, 

T. McQueen, R. Chisnell, T. Han, 

Y. S. Lee, D. G. Nocera 

9:50 287. Pressure-induced sequential orbital 

reorientation in a magnetic framework 

material. G. J. Halder, 

K. W. Chapman, J. A. Schlueter, 

J. L. Manson 


10:30 288. Phase controlled synthesis of 

iron silicide (Fe 3Si and FeSi 2) nanoparticles 

in solution. V. Chikan, N. Dahal 

10:50 289. Synthesis, electronic structure, 

and phase transitions of M xV 2O 5 nanostructures. 

C. J. Patridge, S. Banerjee 

11:10 290. Efficient charge transfer antenna 

tetrathiafulvalene ligand for the sensitization 

of Yb(III) luminescence. L. Ouahab, 

F. Pointillart, T. Cauchy, O. Cador, 

S. Golhen, O. Maury 

11:30 291. Solvation effects on spin-crossover 

complexes. J. Tao 

11:50 292. True-Blue Alq 3: Combined substituent 

effect in 8-hydroxyquinoline ligands 

on emission color and triplet energy 

tuning. P. Anzenbacher, 

C. Pérez-Bolívar, S. Takizawa, 

G. Nishimura, V. A. Montes 

Section G 


Room 256 

Nanoscience 

One-dimensional Structures 


B. Wiley, Presiding 

8:30 293. Gallium functionalization of nitrogen-doped 

carbon nanotubes to form 

gallium nitride carbon nanotube hybrid 

material. T. J. Simmons, 

M. Bravo Sanchez, E. Lopez Luna, 

M. A. Vidal Borbolla, 

H. Navarro Contreras 

8:50 294. Fabrication and physical properties 

of ZnO/CuO heterostructured nanowires. 

K. Liao, P. Shimpi, P. Gao 

9:10 295. Synthesis of single-crystalline 1D 

LiNbO 3 nanorods. A. C. Santulli, 

H. Zhou, S. Berweger, M. B. Raschke, 

E. Sutter, S. S. Wong 

9:30 296. Nonaqueous synthesis of molybdenum 

dioxide nanorodes: Comprehensive 

study of growth of nanoparticles, insitu 

EXAFS monitoring of inorganic 

reaction mechanism and their electrochemical 

properties. D. Koziej, 

A. Hintennach, J. Grunwaldt, 

M. D. Rossell, P. Novak, M. Niederberger 

9:50 297. Exfoliation of boron nitride nanotubes 

prepared from a solid gas chemical 

reaction. C. Hung, J. Hurst 







consent from ACS.

10:30 298. Growth mechanism of copper 

nanowires and their properties in flexible, 

transparent conducting films. 

A. R. Rathmell, S. M. Bergin, Y. Hua, 

Z. Li, B. J. Wiley 

11:00 299. Effects of salt selection on the 

rapid synthesis of silver nanowires. 

S. Nandikonda, E. W. Davis 

11:20 300. Synthesis of Ni and FeNi coreshell 

nanorods. N. Shukla, J. B. Miller, 

E. Coletta, A. Ondeck, J. Chung Lee, 

A. J. Gellman 

11:40 301. One-pot hydrothermal synthesis 

of silver nanowires via citrate reduction. 

Z. Yang, H. Qian, H. Chen, J. N. Anker 

12:00 302. Boron nitride nanotubes from 

graphene sheets. S. Xie, R. Huang, 

L. Zheng 

Section A 


Room 258A 



Synthesis and Catalysis 


L. Liebeskind, Presiding 

9:00 303. Synthesis and chemistry of electrophilic 

iridium and rhodium pincer complexes. 

M. Brookhart, 

W. H. Bernskoetter, M. Findlater, 

C. Schauer, M. D. Walter 

9:30 304. Reductive coupling of carbon 

monoxide in Re and Mn carbonyl complexes 

with pendant Lewis acids. 

J. E. Bercaw, N. West, J. A. Labinger, 

S. Yu, A. Hazari, A. J. Miller 

10:00 305. Organometallic chemistry of synthetic 

methods. J. F. Hartwig 


10:45 306. From 5-membered metallacyclo-cumulenes, 

–pentynes and –allenes 

to 4-membered metalla-dihetero-cycloallenes 

and its complexes. O. Theilmann, 

A. Villinger, A. Schulz, M. Lamac, 

K. Kaleta, T. Beweries, P. Arndt, 

W. Baumann, A. Spannenberg, 

U. Rosenthal 

11:15 307. Unique chemical properties of 

non-traditional metal-carbon bonds. 

Z. Xie 

11:45 308. Methane activation and functionalization 

by a transient titanium alkylidyne. 

D. J. Mindiola, J. A. Flores, 

D. M. Buck, G. Chen, J. E. Bercaw, 

J. G. Andino 

Section B 


Room 258C 

Inorganic Materials: Electrochemistry and 

Battery Applications 

A. Marschilok, K. Takeuchi, Organizers 

E. Takeuchi, Organizer, Presiding 

9:00 309. Opportunities for multiple electron 

transfer in cathode materials. 

E. S. Takeuchi, C. Lee, Y. Kim, 

A. Subramanian, A. C. Marschilok, 

K. J. Takeuchi 

9:30 310. Electrochemistry-materials interactions 

and impact on battery design. 

Y. Chiang 

10:00 311. Aqueous electrolyte energy storage: 

Materials and devices. J. Whitacre 

10:30 312. Li-diffusion mechanisms and the 

role of coherency strains during twophase 

reactions in titanate electrodes for 

Li batteries. A. Van der Ven, 

J. Bhattacharya, A. Dalton, Y. Wang 


nanophosphate batteries. B. Riley 


the Interface 







Section C 


Room 258B 

Ligand Design and Metal Behavior 

L. Doerrer, M. Millar, Organizers 

S. Koch, Organizer, Presiding 


1:35 314. Catalytic reduction of dinitrogen 

to ammonia with molybdenum under mild 

conditions. R. R. Schrock, B. Hanna, 

J. Chin, M. Reithofer 

2:15 315. Designing polymetallic reaction 

sites: Ligand control of M-M interactions. 

T. Betley 

2:45 316. Building bulkier �-diketiminate ligands 

for applications in bioinorganic 

chemistry and catalysis. P. L. Holland, 

T. R. Dugan, B. R. Dible, 

W. W. Brennessel 


3:25 317. Ligand effects on copper-oxygen 

reactivity. W. B. Tolman 

3:55 318. Nickel catalysts for hydrogen oxidation 

and production containing diphosphine 

ligands with pendant amine bases. 

M. Rakowski-DuBois, D. DuBois, 

R. M. Bullock 

4:25 319. Regulating the primary and secondary 

coordination sphere within transition 

metal complexes through ligand design. 

A. Borovik 

4:55 320. Ligand effects on the chemistry of 

O 2-reactive divalent metal enolate and 

enediolate complexes. L. M. Berreau 

Section D 


Room 259A/B 

Luminescence and Magnetism of 

Lanthanide-Containing Materials 

C. Cahill, Organizer 

A. De Bettencourt Dias, Organizer, 

Presiding 


1:35 321. All oxygen donor ligands as efficient 

antennae for lanthanide luminescence. 

K. N. Raymond 

2:05 322. Structure-relaxivity relationships 

among macrocyclic gadolinium(III) complexes. 

V. Jacques, S. Dumas, 

M. T. Greenfield, W. Sun, J. S. Troughton, 

P. Caravan 

2:35 323. Interaction of luminescent lanthanide-functionalized 

gold nanoparticles 

with bovine serum albumin (BSA). 

S. Comby, T. Gunnlaugsson 


3:15 324. Developing lanthanide-based responsive 

complexes. S. Pope, 

M. Andrews, J. Jones 

3:45 325. Gd-labeled porous silica microparticles 

with large relaxivities studied in 

vivo by MRI. C. Landry, J. Steinbacher, 

S. Lathrop, J. Hillegass, B. Mossman 

4:15 326. Lanthanide complexes utilizing 

bis(pyrazolyl)pyridine and beta-diketonate 

ligands to efficiently sensitize lanthanide 

luminescence. J. M. Stanley, 

B. J. Holliday 

4:35 327. Buckyball maracas: Chemical and 

electrochemical properties of trimetallic 

nitride endohedral fullerenes. 

L. Echegoyen, N. Chen, J. Pinzin 

4:55 328. Physical properties of PbEuS 

nanocrystals. S. Somarajan,W.He, 

D. Koktysh, J. Dickerson 


Section F 


Room 257B 


DNA, RNA and Enzymes 


C. Goldsmith, Presiding 

1:30 329. Silver and its roles in combating 

diseases. J. R. Ellis 

1:50 330. Photo-enhanced oxidative DNA 

cleavage with non-heme iron complexes. 

Q. Li, G. Roelfes 

2:10 331. Two metals are better than one: 

Interactions between dinuclear metal 

complexes and quadruplex DNA. 

R. Vilar, K. Suntharalingam 

2:30 332. Computational study of the 

nucleobase electronic structure dynamics: 

How to do a fast but accurate job. 

S. Keinan, R. Venkatramani, A. Balaeff, 

D. N. Beratan 

2:50 333. Hydrolysis of plasmid DNA by 

metal complexes of modified cyclen. 

I. O. Kady 

3:10 334. Turning genes on and off with 

light. B. Ruble, J. L. Richards, X. Tang, 

J. Griepenburg, I. J. Dmochowski 


3:40 335. Mechanism of assembly of the dimanganese(III)-tyrosyl 

radical cofactor of 

Escherichia coli class Ib ribonucleotide 

reductase. J. A. Cotruvo,J.Stubbe 

4:00 336. Site-specific incorporation of 3-nitrotyrosine 

as a probe of pK a perturbation 

of redox-active tyrosines in ribonucleotide 

reductase. K. Yokoyama, U. Uhlin, 

J. Stubbe 

4:20 337. Characterization of radical intermediates 

on the PCET pathway in aminotyrosine-substituted 

ribonucleotide reductases. 

E. C. Minnihan, 

M. R. Seyedsayamdost, J. Stubbe 

4:40 338. Identification of a radical intermediate 

in the catalytic cycle of methyl-coenzyme 

M reductase. M. Dey,X.Li, 

J. Telser, G. Gerfen, B. M. Hoffman, 

S. W. Ragsdale 

Section G 


Room 256 

Nanoscience 

PUI/Community College Nanoscience 

S. Wong, Organizer, Presiding 

1:30 339. Unusual phenomena at nanometer-sized 

electrochemical interfaces. 

M. V. Mirkin, J. Velmurugan 

2:00 340. Nanostructured 3D architectures 

incorporating bioactivity. 

A. S. Harper-Leatherman, M. Iftikhar, 

A. Ndoi, S. J. Scappaticci 

2:30 341. Immobilization of inorganic nanoparticles 

into smart polymer nanogels for 

integration of sensing, cell imaging, and 

controlled drug delivery. W. Wu,J.Shen, 

P. Banerjee, S. Zhou 


3:20 342. Directed self-assembly within laponite 

nanoscaffolds. M. E. Hagerman 

3:50 343. Silver nanoparticle thin films: Factors 

influencing formation and stability. 

N. T. Flynn,M.I.Vara 

4:20 344. Formation of Tris(trimethoxysilylpropyl) 

Isocynurate (TTPI) capped palladium 

nanoparticles onto single-walled 

carbon nanotubes. T. Hemraj-Benny, 

M. Chauhan, C. Wong, E. Kim 

Section A 


Room 258A 



Synthesis, Devices, Hydrogen, Catalysis 


T. Marks, Presiding 

2:00 345. Luminescent organometallics: 

From design to assembly and functions. 

V. W. Yam 

2:30 346. Activation of dihydrogen by pentaarylboroles. 

W. Piers,C.Fan, 

L. Mercier, A. Houghton, M. Parvez 

3:00 347. Molecular catalysts for oxidation 

of hydrogen and production of hydrogen: 

Shoving protons around with pendant 

amines. R. M. Bullock,J.Y.Yang, 

E. S. Wiedner, K. D. Welch, D. L. DuBois 


3:45 348. Reactivity studies on M(� 5 - 

C 5Me 5) complexes (M � Rh, Ir) of a cyclometalated 

aryl phosphine ligand. 

E. Carmona 

4:15 349. PSiP-Pincer palladium complexes 

for innovative catalytic reactions. 

N. Iwasawa 

4:45 350. Molecular magnesium(I) complexes: 

From chemical landmarks to versatile 

reagents. C. Jones 

5:15 351. Carbene-stabilization of highly reactive 

diatomic molecules. 

G. H. Robinson 

Section B 


Room 258C 



A. Marschilok, E. Takeuchi, Organizers 

K. Takeuchi, Organizer, Presiding 


electrochemical properties of silver hollandite 

(Ag xMn 8O 16). K. J. Takeuchi, 

S. Zhu, A. C. Marschilok, E. S. Takeuchi 

2:30 353. Materials challenges and opportunities 

of lithium-ion battery technology. 

A. Manthiram 

3:00 354. Science and practical performance 

of metal fluoride nanocomposites 

for advanced energy storage. F. Badway, 

N. Pereira, A. Gmitter, I. Plitz, L. Wu, 

G. G. Amatucci 

3:30 355. Advanced Li-ion battery cathode 

materials for vehicle technologies. 

M. M. Doeff, T. Conry, K. Kam, A. Chern 

4:00 356. Targeting new materials. 

K. R. Poeppelmeier 


electrochemical properties of magnetite 

(Fe 3O 4). S. Zhu, A. C. Marschilok, 


Section E 


Room 257A 

Inorganic Spectroscopy and 


S. Ronco, Organizer 

H. Patterson, Presiding 

2:00 358. Spectroscopic study of heterometallic 

d 8 -d 10 and d 10 -d 10 exciplex nanoclusters 

doped in alkali halide single crystals. 

H. H. Patterson, F. Baril-Robert, 

X. Li, D. A. Welch, C. L. Larochelle 

2:20 359. Spectroscopic and electronic 

structure studies of copper (II) binding to 

His111 in the human prion protein fragment 

106-115: Evaluating the role of protons 

and methionine residues. 

L. Rivillas-Acevedo, R. Grande-Aztatzi, 

I. Lomelí, E. Barrios, S. Teloxa, J. García, 

A. Vela, L. Quintanar 





INOR 

TECH–65


2:40 360. Influence of morpholgy and processing 

on X-ray photoelectron spectroscopic 

characterization of SrO-CaO- 

ZnO-SiO2 bioglass. F. R. Laffir, 

A. W. Wren, M. R. Towler 


3:10 361. Identification and quantification of 

oxygen containing surface functional 

groups on carbon materials by X-ray absorption 

near edge structure (XANES) 

spectroscopy. Y. Chen,K.Kim,P.Zhu 

3:30 362. Developing turn-on fluorescent 

sensors for iron imaging in live neuronal 

cells. Y. Wei, Z. Aydin, Y. Zhang, Z. Liu, 

M. Guo 

3:50 363. Na-ion cathode electrodes for grid 

scale energy storage. Y. Fan, T. Gardner, 

V. Abdelsayed 

4:10 364. Electrogenerated chemiluminescence 

of Pt(II) complexes and corresponding 

metallopolymers. X. Chen, 

X. Yang, B. J. Holliday 

4:30 365. Non-noble metal catalysts impregnated 

in chemically reduced graphene 

for oxygen reduction reaction. 

H. Byon, J. Suntivich, S. Yang 






the Interface 





PRES 


Inorganic Chemistry Sponsored by CHED, 

Cosponsored by INOR and SOCED 



Hall C 

Sci-Mix 


8:00–10:00 

140, 142, 150, 154, 155, 160, 161, 168, 187, 

188, 191, 194, 195, 196, 199, 203, 205, 

207, 209, 212, 213, 215, 223, 227, 228, 

229, 230, 231, 234, 235, 239, 245, 248, 

250, 252, 253, 254. See previous listings. 

484, 487, 492, 494, 502, 503, 521, 524, 529, 

531, 534, 538, 539, 550, 556, 674, 734, 

736, 737, 744, 745, 751, 753, 754, 761, 

764, 766, 767, 770, 772, 775, 779, 782, 



Section C 


Room 258B 


L. Doerrer, M. Millar, S. Koch, Organizers 

T. Agapie, Presiding 

8:30 366. Multinuclear metal complexes 

supported by diphenylbenzene and triphenylbenzene 

frameworks decorated 

with P, N, and O donors. T. Agapie, 

A. Velian, S. Lin, E. Tsui, J. Kanady 

9:00 367. Masked three-coordinate vanadium(II) 

complexes. B. L. Tran, M. Pink, 

D. J. Mindiola 

9:30 368. Small molecule activation at reactive 

iron and uranium centers: Control of 

reactivity via molecular architecture. 

K. Meyer 


10:10 369. Tuning metal ligands for specific 

songs. K. N. Raymond 

66–TECH 


10:50 370. Exploring the feasibility of N 2 fixation 

at single and multiple iron sites. 

J. C. Peters 

11:20 371. Iron–TAML activators: Designing 

ligands to achieve peroxidase mimics. 

T. J. Collins 

Section E 


Room 257A 



A. Barrios, K. Franz, Presiding 

8:30 372. Targeting DNA mismatches with 

metalloinsertors. J. K. Barton 

9:10 373. X-ray structure and mechanism of 

RNA polymerase II stalled by a monofunctional 

antineoplastic agent. D. Wang, 

G. Zhu, X. Huang, S. J. Lippard 

9:30 374. Probing the outer reaches of the 

folding funnel of c-type cytochromes. 

B. E. Bowler, T. A. Dar, F. O. Tzul, 

M. L. Finnegan, K. A. Khan, 

T. A. Danielson 

9:50 375. Molecular probes put tyrosine 

phosphorylation in the spotlight. 

A. M. Barrios 

10:10 376. Nickel binding and release by 

Escherichia coli hydrogenase biosynthetic 

proteins. D. B. Zamble, 

H. Kaluarachchi, K. C. Chan Chung, 

F. Cai 


10:40 377. Cu(II) complexes of (oligo)nucleotides: 

Structure determination with the 

help of pulsed EPR spectroscopy. 

M. Santangelo, P. M. Antoni, 

A. Medina-Molner, G. Mitrikas, 

G. Jeschke, B. Spingler 

11:00 378. Evolutionary constraint on DNA 

structure in the human genome. 

T. D. Tullius, S. C. Parker, 

E. H. Margulies 

11:20 379. Insights into the role of histidine 

in Ctr1-dependent copper uptake. 

K. J. Franz,K.L.Haas 

11:40 380. Judicious placement of a methylene 

or methyl group on a ligand for copper: 

Subsequent copper complex redox 

behavior or dioxygen chemistry. 

K. D. Karlin 

Section G 


Room 256 



C. Berlinguette, Presiding 

8:30 381. Design of a molecularly-imprinted 

Ru-complex catalyst for regio- and 

shape-selective limonene epoxidation. 

S. Muratsugu, Y. Yang, M. Kinoshita, 

M. Tada 

8:50 382. Electrocatalytic oxygen reduction 

mediated by metalo-hangman-xantheneporphyrin 

and –corrole complexes. 

R. McGuire, D. K. Dogutan, 

Y. Shao-Horn, D. G. Nocera 

9:10 383. New visible light photocatalyst, 

ZnBiGaO 4 for photocatalytic solar hydrogen 

production. J. Baeg,S.Moon, 

K. Kong 

9:30 384. Electrocatalytic C-H bond activation 

with Ru: Transferring reactivity from 

homogeneous solution to nanomaterial 

electrode surfaces. J. F. Hull,Z.Chen, 

T. J. Meyer 

9:50 385. Self-healing oxygen-evolving catalyst. 

D. A. Lutterman, Y. Surendranath, 

D. G. Nocera 


10:20 386. Critical examination of catalytic 

water oxidation by mononuclear complexes. 

C. P. Berlinguette 

10:40 387. Preparation of supported intermetallic 

AuCu and AuCu 3 nanoparticle 

catalyst for CO oxidation. J. C. Bauer, 

D. Mullins, S. H. Overbury, S. Dai 

11:00 388. Tailoring Pt-bimetallic alloy 

nanoparticles for electrocatalytic reduction 

of oxygen. C. Wang, 

V. R. Stamenkovic, N. M. Markovic 

11:20 389. From surface-inspired oxovanadium 

silsesquioxane models to active 

catalysts for the oxidation of alcohols 

with O 2: The cinnamic acid/metavanadate 

system. C. Limberg,C.Ohde 

11:40 390. Aerobic alcohol oxidation catalyzed 

by vanadium(V) complexes. 

S. K. Hanson, R. T. Baker, J. C. Gordon, 

B. L. Scott, L. A. Silks, D. L. Thorn, R. Wu 

Section A 


Room 258A 





D. Sweigart, Presiding 

9:00 391. Homogeneous and biocatalysis in 

concert: Hybrids of ECE-pincer organometallics 

and lipases. G. van Koten 

9:30 392. Direct �-alkylation of amines: Catalytic 

hydroaminoalkylation with amidate 

complexes. L. L. Schafer 

10:00 393. F-block complexes with labile Nheterocyclic 

carbenes: Small molecule 

activation and unusual new bonding motifs. 

P. L. Arnold, Z. R. Turner, 

A. I. Germeroth, S. Zlatogorsky, 

S. M. Mansell, B. F. Perandones, 

R. M. Bellabarba, R. P. Tooze 


10:45 394. Pursuit of a terminal uranium nitride 

using mixed-ligand frameworks. 

J. L. Kiplinger 

11:15 395. Subtleties in organometallic 

bond activation. W. D. Jones 

11:45 396. Reactions of frustrated Lewis 

pairs with alkenes and alkynes. 

C. Mömming, C. Chen, P. Feldhaus, 

O. Ekkert, T. Voss, G. Kehr, R. Fröhlich, 

G. Erker 

Section B 


Room 258C 



E. Takeuchi, K. Takeuchi, Organizers 

A. Marschilok, Organizer, Presiding 

9:00 397. Novel composite air cathodes for 

energy storage. A. C. Marschilok,S.Lee, 

S. Zhu, C. Milleville, C. Lee, P. Chen, 


9:30 398. Using disorder and architectural 

design to improve electrical energy storage 

devices. J. W. Long, B. P. Hahn, 

M. B. Sassin, J. Wallace, K. A. Pettigrew, 

M. Osofsky, A. N. Mansour, 

D. R. Rolison 

10:00 399. Electrodeposition as a key tool 

for the fabrication of 3D lithium-ion rechargeable 

batteries. A. L. Prieto, 

T. S. Arthur, D. C. Johnson, J. M. Mosby 

10:30 400. Lithium phosphorus oxynitride 

solid electrolyte: Applications beyond thin 

film batteries. N. J. Dudney,Y.Kim, 

W. Tenhaeff, E. Herbert, G. Veith 

11:00 401. Catalysis studies and electrode 

design considerations for Lithium-air batteries. 

Y. Lu, J. R. Harding, Y. Tsukada, 

H. A. Gasteiger, Y. Shao-Horn 

Section D 


Room 259A/B 

ACS Inorganic Nanoscience Award: 

Symposium in Honor of Frank Osterloh 

D. Nelson, Organizer, Presiding 

9:00 History of Nanoscience Award and Introduction 

of Dr. Frank Osterloh 

9:10 402. Making fuel from sunshine: Inorganic 

nanomaterials for photocatalytic 

hydrogen production. F. E. Osterloh 

9:55 403. New functional materials from topochemical 

reactions of layer perovskites. 

C. N. Henderson, S. Kannan, 

E. C. Sklute, M. Eguchi, Y. Kobayashi, 

J. Kwak, T. E. Mallouk 


10:40 404. Applications of coordination 

chemistry in the synthesis of single-molecule 

magnets. J. D. Rinehart, T. Harris, 

D. E. Freedman, J. M. Zadrozny, 

K. R. Meihaus, X. Feng, 

P. Dechambenoit, B. Bechlars, 

D. M. Jenkins, D. M. D’Alessandro, 

J. R. Long 

11:10 405. New strategies for improving 

photoresponse for solar energy conversion 

using nanocomposites. J. Z. Zhang 

11:40 406. Pathway from a molecular precursor 

to silver nanoparticles: The prominent 

role of aggregative growth. 

V. N. Richards, N. P. Rath, W. E. Buhro 

Section F 


Room 257B 


Applications to Organic Transformations 


D. Balcells, Presiding 

9:00 407. Development of one-pot, single 

solvent processes for aromatic C-H borylation/Suzuki-Miyaura 

cross-coupling sequences. 

P. Harrisson, J. Morris, 

P. G. Steel, T. B. Marder 

9:20 408. Oxidation of olefins with hydrogen 

peroxide and polyoxometalates in ionic 

liquids and fluorinated alcohols as “magic 

solvents”. M. Carraro, S. Berardi, 

M. Gardan, M. Bonchio, G. Scorrano, 

A. Sartorel 

9:40 409. Ionic liquids in transition metal catalysis: 

An efficient route to valuable compounds. 

P. S. Bauerlein,T.L.terLaak, 

P. de Voogt, C. Müller, D. Vogt, 

I. J. Fairlamb, J. M. Slattery, 

A. C. Whitwood, A. F. Lee 


10:05 410. Chiral SPAN ligands: A new toolbox 

of ligands for asymmetric catalysis. 

N. D. Clément, O. Jacquet, 

P. W. van Leeuwen 

10:25 411. C-H oxidation by Mn porphyrins: 

A DFT study on the nature of the active 

species and the reaction mechanism. 

D. Balcells, C. Raynaud, O. Eisenstein, 

R. H. Crabtree 

10:45 412. Rational design approach toward 

developing chiral diNHC ligands: New 

Pd(NHC) complexes and their use in enantioseletive 

cross coupling reactions. 

M. S. Jeletic, I. Ghiviriga, K. A. Abboud, 

A. S. Veige 

11:05 413. Carbenes by elimination of �-halosilanes 

under mild conditions. 

C. M. Loeschel, N. T. Allison 






consent from ACS.


Section B 


Room 258C 

ExxonMobil Solid State Chemistry Faculty 

Fellow Award 

Symposium in Honor of Sarbajit Banerjee 

S. Brock, Organizer, Presiding 


1:40 414. Understanding the influence of finite 

size on the phase transitions and 

phase stabilities of early transition metal 

oxides. S. Banerjee, L. Whittaker, 

C. J. Patridge, S. W. Depner, 

J. M. Velazquez, K. R. Kort 

2:10 415. Nanomaterials for energy storage. 

M. Whittingham 

2:40 416. Chemical strategies in nanoscience. 

S. S. Wong 


3:25 417. Using local structural probes to 

understand and optimize the functioning 

of lithium ion battery materials. B. Key, 

R. Bhattacharyya, N. Trease, C. P. Grey 

3:55 418. Nanomaterials composed of 

nanocomponents: Nanoparticle supercrystals 

and hybrids. I. P. Herman 

4:25 419. Discovery and characterization of 

novel materials for electrical energy generation 

and storage: Fuel cells, batteries 

and super-caps. H. D. Abruña 


Section C 


Room 258B 



L. Doerrer, Organizer, Presiding 

1:30 420. Monobridged, binuclear metallacycles 

supported by third generation 

bis(1-pyrazolyl)methane ligands: Unusual 

magnetic properties. D. L. Reger, 

E. A. Foley, R. P. Watson, A. E. Pascui, 

M. D. Smith 

2:00 421. Design of phosphine ligands for 

electrocatalytic carbon dioxide reduction 

and formate oxidation. D. DuBois, 

B. Boro, J. Linehan, J. Roberts, B. Galan, 

J. Schoffel, C. Kubiak 

2:30 422. Bimetallic cooperativity in catalysis 

based on a binuclating tetraphosphine 

ligand. G. G. Stanley, D. Polakova, 

A. R. Barnum, C. T. Alexander, 

Z. S. Wilson, M. A. Peterson 


3:10 423. Evolution from TMPA (� TPA) in 

copper-dioxygen and heme-copper-dioxygen 

coordination chemistry. 

K. D. Karlin 

3:50 424. Construction and properties of 

binuclear Ni-Fe complexes in relation to 

the active site of Ni-Fe-S carbon monoxide 

dehydrogenase. D. Huang, 

R. H. Holm 

4:20 425. Coordination chemistry with trisphenolate, 

thiolate, and selenolate amine 

and phosphine tripod ligands. S. A. Koch 

4:50 426. Ligand design elements that promote 

generation of high-valent nonheme 

iron-oxo species. L. Que, Jr. 

Section E 


Room 257A 



A. Valentine, J. Wilker, Presiding 

1:30 427. Active site of particulate methane 

monooxygenase. R. Balasubramanian, 

S. M. Smith, M. A. Culpepper, S. Rawat, 

L. A. Yatsunyk, T. L. Stemmler, 

A. Rosenzweig 

2:10 428. Bioinorganic approaches to renewable 

energy catalysis. C. J. Chang 

2:30 429. Synthesis and reactivity of manganese 

and iron complexes with methylated 

derivatives of bis(2-pyridylmethyl)- 

1,2-ethanediamine (bispicen). 

C. M. Coates, K. Hagan, C. A. Mitchell, 

C. R. Goldsmith 

2:50 430. Titanium in the environment: Siderophore 

coordination and photoreactivity. 

K. L. Batchler, K. E. Cole, 

A. M. Valentine 

3:10 431. Development of multifunctional 

small molecules as chemical tools and 

potential therapeutics for Alzheimer’s disease. 

M. Lim 

3:30 432. Escaping the octopus-like grasp 

of iron-oxygen chemistry: Studies on marine 

biological materials. J. D. White, 

C. R. Matos-Perez, J. R. Burkett, 

A. O. Mattes, T. W. McCarthy, 

J. J. Wilker 

3:50 433. Recognition of Zn 2� by the conjugates 

of calixarenes and carbohydrates 

and the role of the corresponding complex 

in biorelevant systems. C. P. Rao 

4:10 434. Development of caged-complexes 

for studying signaling and homeostasis of 

metal ions. S. C. Burdette 

4:30 435. Comparison of the reactivity 

chemistry of mononuclear and binuclear 

non-heme ferrous complexes with oxygen, 

peroxides, and oxygen atom donor 

molecules. J. P. Caradonna 

Section F 


Room 257B 



N. Abrams, Presiding 

1:30 436. Studies of the effects of hydrogen 

with the hopes of improving the catalytic 

reduction of dinitrogen to ammonia at a 

single molybdenum center. B. S. Hanna, 

R. R. Schrock 

1:50 437. Cross-coupling with tricarbonylchromium-coordinated 

benzyllithiums: A 

new approach to polyarylmethane derivatives. 

G. I. McGrew, J. Temaismithi, 

P. J. Carroll, P. J. Walsh 

2:10 438. One-pot synthesis of catalytically 

stable and active nanoreactors: Encapsulation 

of size-controlled nanoparticles 

within a hierarchically macroporous core 

@ordered mesoporous shell system. 

B. Su,X.Yang 

2:30 439. Investigation of nanostructured 

mixed monolayer protected nanoparticles 

as catalytic platforms. A. Ghosh, 

S. Basak, B. H. Wunsch, R. Kumar, 

F. Stellacci 

2:50 440. Spinel-type cobalt-manganesebased 

mixed oxide as sacrificial catalyst 

for the high yield synthesis of homogeneous 

carbon nanotubes. J. Tessonnier, 

M. Becker, W. Xia, F. Girgsdies, 

R. Blume, L. Yao, D. Su, M. Muhler, 

R. Schlögl 

3:10 441. Structures and reaction mechanisms 

of propene oxide isomerization to 

propanal on H-FER zeolite: A theoretical 

study using the newly developed density 

functional theory. B. Boekfa, T. Maihom, 

S. Wannakao, K. Bobuatong, 

J. Limtrakul 

3:30 442. Reaction mechanisms of ethene 

formation via ethanol dehydration catalyzed 

by Fe-ZSM-5 zeolite: An ONIOM 

study with an M06-L functional. 

T. Maihom, B. Boekfa, S. Wannakao, 

J. Limtrakul 

3:50 443. Spinel ferrite nanoparticles as selective 

microwave absorbers for heterogeneous 

oxidation catalysis. 

M. Thompson, P. Chem, 

L. J. van de Burgt, A. E. Stiegman 

4:10 444. Novel oxynitride compounds from 

cellulose biotemplates. A. Levine, 

J. M. MCEnaney, N. M. Abrams 

4:30 445. Synthesis of different CeO 2 structures 

on mesoporous silica and characterization 

of the reduction properties and 

the catalytic behavior. J. Strunk, 

W. C. Vining, A. T. Bell 

4:50 446. Investigation on the contradictory 

gas sensing behaviors of semiconducting 

ZnO and Zn 2SnO 4 single crystalline 

nanowires arrays. A. Cai 

Section G 


Room 256 

Nanoscience 

Optoelectronic Characterization 


S. Lee, Presiding 

1:30 447. Photo-induced electron transfer in 

chromophore-functionalized quantum 

sized gold clusters. K. Kwak, 

M. Devadas, H. Lee, G. Ramakrishna, 

D. Lee 

1:50 448. Fluorophore functionalized metal 

clusters. M. Devadas, D. Lee, E. Sinn 

2:10 449. Upconversion luminescence and 

X-ray-excited optical luminescence 

(XEOL) of lanthanide doped Yttrium oxide 

nanocrystals. I. N. Stanton, J. A. Ayres, 

M. J. Therien 

2:30 450. Ab initio study of multiple exiton 

generation (MEG) in quantum dots. 

Z. Zhang, P. Zimmerman, C. Musgrave 

2:50 451. Surface-enhanced Raman spectroscopy 

with silver nanocube dimers: 

Experiment and calculation. S. Lee, 

G. S. Lang, L. Hung, J. E. Cornett, 

I. D. Mayergoyz, O. Rabin 


3:40 452. Solar energy conversion with selforganized 

regular arrays of S-doped TiO 2 

nanotubes. Y. Shin, S. Lee 

4:10 453. Probing dynamics of photoinduced 

charge transfer in heterodimers 

composed of CdSe/ZnS quantum dots 

and fullerene derivatives by single molecule 

spectroscopy. M. Cotlet,Z.Xu 

4:30 454. Single-molecule optical detection 

of nitroaromatic compounds by carbon 

nanotubes. D. A. Heller, G. W. Pratt, 

J. Zhang, N. Nair, A. J. Hansborough, 

A. A. Boghossian, N. F. Reuel, 

P. W. Barone, M. S. Strano 

4:50 455. Exciton antennae and concentrators 

from core-shell and corrugated carbon 

nanotube filaments of homogeneous 

composition. J. Han, G. L. Paulus, 

R. Maruyama, D. A. Heller, W. Kim, 

P. W. Barone, C. Lee, J. Choi, M. Ham, 

C. Song, C. Fantini, M. S. Strano 

5:10 456. Anomalously large reactivity of 

single graphene layers and edges toward 

electron transfer chemistries. R. Sharma, 

J. Baik, C. Perera, M. S. Strano 

Section A 


Room 258A 




D. Lichtenberger, Organizer, Presiding 

2:00 457. Efficient iron catalyst for the chemoselective 

hydrogenation of aldehydes 

and ketones. C. P. Casey,H.Guan, 

A. C. Atesin 

2:30 458. Multiheterometallic transition 

metal complexes: Going for records. 

H. Lang 

3:00 459. Custom polyethylene by molecular 

design. J. C. Stevens 

3:30 460. Some memories and then some 

new chemistry of single walled carbon 

nanotubes. M. L. Green 

4:00 Close of symposium D. Seyferth, 

J. Gladysz 

Section D 


Room 259A/B 



J. J. Weigand, Presiding 

2:00 461. Lewis acidic properties of a bifunctional 

stibonium/borane. C. R. Wade, 

F. P. Gabbaï 

2:20 462. Use of group 6 carbonyl reagents 

to stabilize phosphonium and siliconium 

cationic species. J. M. Beres, 

A. M. Leigh, M. J. Panzner, V. Scionti, 

B. D. Wright, C. Wesdimiotis, 

W. J. Youngs, C. A. Tessier 

2:40 463. Phosphorus-containing 

calix[5]arene metal complexes: Catalysis 

and a rare � 6 palladium geometry. 

B. Rios, M. Lattman 


3:10 464. Heavy atom effects in thienyl 

BODIPY systems. K. Kim, T. Jun, 

S. Khatua, S. Choi, D. G. Churchill 

3:30 465. Capturing In � monomers in a neutral 

weakly coordinating environment. 

T. Jurca, S. I. Gorelsky, I. Korobkov, 

G. P. Yap, D. S. Richeson 

3:50 466. Transition metal-like behavior of 

mercury in a dinuclear complex featuring 

a mercury3antimony interaction. T. Lin, 

C. R. Wade, F. P. Gabbaï 

4:10 467. Formation of cationic phosphorus 

clusters by insertion of phosphenium cations 

into P-P bonds of the P 4 tetrahedron. 

J. J. Weigand, M. H. Holthausen 


Section A 


Hall C 



7:00–9:00 

468. Synthesis of biologically relevant manganese 

clusters by reductive aggregation. 

W. Lo, S. Vaddypally, P. Müller, 

W. H. Armstrong 

469. Trinuclear manganese complexes relevant 

to Photosystem II. S. Vaddypally, 

W. Lo, L. Greb, W. H. Armstrong 

470. Influence of platinum-based anticancer 

agents on nucleosome mobility. G. Zhu, 

S. J. Lippard 

471. Elucidation of the reactivity of nitric oxide 

with polypyrridyl copper(II) complexes. 

J. Rosenthal, J. Kozhukh, 

S. J. Lippard 

472. Visualization of endogenous nitric oxide 

in live cells using cell-trappable fluorescent 

probes. M. D. Pluth, L. E. McQuade, 

S. J. Lippard 

473. Pt(IV) encapsulated PLGA-PEG nanoparticles 

for targeting integrins in tumors. 

N. J. Graf, N. Kolishetti, D. R. Bielenberg, 

O. C. Farokhzad, S. J. Lippard 

474. Thermodynamic studies of DNA duplexes 

containing the spiroiminodihydantoin 

lesion. E. R. Jamieson, 

F. Chinyengetere, M. Dwarakanath, 

M. Ng, M. Thida, C. Gao, M. Martei 

475. Solid state coordination chemistry: Organic-inorganic 

hybrid materials constructed 

from copper 5-(4�-pyridyl)tetrazole 

networks with embedded molybdate 

clusters. S. Jones,H.Liu, 

C. C. O’Connor, J. Zubieta 





INOR 

TECH–67


476. Ratiometric detection of mercury ion in 

water: Accelerated response kinetics of 

azo chromophores having ethynyl ligand 

tethers. H. Lee, J. Jo, H. Park, D. Lee 

477. Phenylalanine complex of glucosyl-C2salicilylimino 

conjugate: Nanofiber formation 

and its applications by spectroscopy, 

microscopy, and coputational modeling. 

C. P. Rao 

478. Biologically relevant multinuclear manganese 

complexes. X. Zhang,W.Lo, 

S. Vaddypally, W. H. Armstrong 

479. Structural investigations into the oxometalate 

organodiarsonate system of organic/inorganic 

hybrid materials. 

K. Darling, E. Burkholder, J. Zubieta 

480. Rapid bio-orthogonal inverse electron 

demand cycloadditions for biological imaging. 

S. A. Hilderbrand, N. K. Devaraj, 

M. R. Karver, R. Weissleder 

481. Reactions of cobalt(ii) and nickel(ii) 

complexes containing binucleating macrocyclic 

and pyridine ligands: Structural 

and spectroscopic studies. J. M. Kamm, 

T. M. Buetow, P. E. Fanwick, H. C. Prusi, 

T. J. Smith 

482. Solid-state simulation of the vibrational 

modes and intensities of simple vanadium 

phosphates. S. L. Pellizzeri, 

T. Korter, J. Zubieta 

483. Steric influences on the chemical and 

spectroscopic behavior of copper 

phenanthrolines. S. P. Watton 

484. Activation of dinitrogen by multinuclear 

vanadium complexes at room temperature. 

S. Banerjee, W. H. Armstrong 

Section B 


Hall C 



7:00–9:00 

485. Palladium catalyzed hydration of nitriles 

in water: Synthesis and characterization 

of palladium(II) complexes of 4-cyanopyridine 

and 4-pyridinecarboxamide. 

R. A. Adrian, N. Sanchez, D. R. Powell, 

J. A. Walmsley 

486. Synthesis and properties of nitrogen 

containing metalloles. L. Emerson, 

N. Benfaremo, J. R. Ford, J. L. Mullin, 

C. K. Prudente, H. J. Tracy 

487. Reactions of gold(III) complexes with 

olefins in aqueous media. C. Rezsnyak, 

J. D. Atwood 

488. Progress towards the synthesis of 

group 14 metallole-based immunosensors. 

N. Mahoney, N. Benfaremo, 

J. R. Ford, J. L. Mullin, C. K. Prudenté, 

H. J. Tracy 

489. Progress on the fabrication of group 14 

metallole optoelectronic devices. 

A. L. Szendrei, N. Benfaremo, J. R. Ford, 

J. L. Mullin, C. K. Prudenté,H. J. Tracy 

490. Synthesis of novel group 14 metalloles. 

D. Lane, N. Benfaremo, J. R. Ford, 


491. Comparison between density functional 

calculations and experimental measurements 

of group 14 metalloles. 

A. Blanchard, N. Benfaremo, J. R. Ford, 


492. Using copper(I)-catalyzed azide-alkyne 

cycloaddition in the creation of triazole 

linked multi-porphyrin arrays. 

M. J. Leonardi, P. K. Palomaki, 

P. H. Dinolfo 

493. Investigation into the mechanism of enhanced 

reactivity in a film-shear reactor. 

B. R. Fox, K. Wiggins, T. Hudnall, 

C. W. Bielawski, D. R. Tyler 

494. Solvent dielectric effect on metal assisted 

thiolate-disulfide exchange: No 

free thiolate. A. Chandrasoma, 

A. E. Bruce, M. R. Bruce 

68–TECH 


495. Optical detection of anions with chromogenic 

triorganotin(IV) complexes. 

R. Villamil-Ramos, V. Barba, 

A. K. Yatsimirsky 

496. Synthesis and characterization of ruthenium 

aqua complexes self assembled on 

electrode surfaces. J. Rochford, 

D. A. Walsh 

Section C 


Hall C 

Nanoscience 

Non-Carbon One-dimensional Structures 


7:00–9:00 

497. Synthesis of monodisperse PbSe nanorods: 

A case for oriented attachment. 

W. Koh, C. B. Murray, A. C. Bartnik, 

F. W. Wise 

498. Production of functional inorganic 

nanowire arrays on patterned substrates 

for use in electronic devices. S. Patil, 

M. Nath 

499. Fabrication of multifunctional silica 

nanotube by stacking preformed functional 

nanoparticles. Y. Zhang, Q. Fang, 

I. Hong, E. Lee, S. Seo, S. Son 

500. Synthesis and characterization of chromium 

oxide nanowires. A. C. Santulli, 

M. Feygenson, M. C. Aronson, 

S. S. Wong 

501. Spatial-controlled growth of zinc oxide 

nanowire arrays on surface-modified 

seed pattern by inkjet. S. Kim,J.W.Cho 

502. Chalcopyrite nanostructures for solar 

cells: Fabrication and characterization of 

copper indium diselenide (CuInSe 2) nananowires. 

E. A. Hernandez, T. E. Mallouk 

503. 1D rutile TiO 2 nanorod arrays decorated 

with CdSe for solar energy conversion. 

J. Bang,P.V.Kamat 

504. Dye sensitized TiO 2 nanotube solar 

cells with markedly enhanced performance 

via rational surface engineering. 

J. Wang,Z.Lin 

505. Fabrication of 3D ordered arrays of mesoporous 

titania spheres. L. Xu,Z.Hua, 

Y. Yan, A. A. Zakhidov, R. H. Baughman, 

J. Chen 

506. Alternate route for large scale synthesis 

of boron nitride nanotubes. 

A. Chakrabarti, J. Price, J. A. Maguire, 

N. S. Hosmane 

507. Use of ferric chloride as a solvent to purify 

boron nitride nanotube. C. Hung, 

J. Hurst 

508. Water soluble boron nanorods. 

A. Chakrabarti, K. N. Boblak, Y. Liang, 

L. M. Kuta, K. J. Krise, J. A. Maguire, 

N. S. Hosmane 

509. Electronic structure modification of 

electrospun titania by Rhodium nanoparaticles. 

E. Obuya, W. Harrigan, 

W. E. Jones 

510. Metal-filled scroll alkoxy and organosilicon 

nanopolymers. P. Vassilaras, 

M. E. Kenney 

Section D 


Hall C 



7:00–9:00 

511. Electrochemical oxidation of graphite in 

1-ethyl-3-methylimidazolium tris(pentafluoroethyl)trifluorophosphate 

(EMI 

FAP) / nitromethane electrolyte. 

B. Ozmen-Monkul, M. M. Lerner 

512. Electrocatalytic carbon dioxide reduction 

at thin polymeric films containing either 

Pd(0) or Rh(0) particles. 

D. R. Weinberg, Z. Chen, A. J. Shearer, 

T. J. Meyer 

513. Exploring the S � 1 ⁄2 triangular lattice: 

Synthesis and properties of 

BaAg 2Cu[VO 4] 2. N. E. Amuneke, 

D. E. Gheorghe, A. Moeller 

514. Thin film optical amplifiers: A highthroughput 

approach to synthesis, optical 

screening, and crystallization studies. 

K. E. Downey, R. B. van Dover 

515. Controlling band gap energies in cluster-assembled 

materials. S. Mandal, 

A. Sen, A. C. Reber, M. Qian, 

H. M. Saavedra, P. S. Weiss, 

S. N. Khanna 

516. Layer-by-layer assembly of molecular 

multilayers on electrode surfaces. 

A. Krawicz,P.H.Dinolfo 

517. Carboxylic acid-functionalized layered 

M IV phosphonates: Intercalation, exfoliation, 

and applications. H. P. Perry, 

J. Law, J. Grunlan, A. Clearfield 

518. Effects of an ionically functionalized ligand 

on exciton recombination in PbS 

nanoparticles. J. M. Zemke, D. R. Tyler 

519. Conducting polythiophene fibers grown 

from CdTe quantum dot surface. 

V. A. Strong, M. Battson, R. B. Kaner 

520. Electrochemical oxygen reduction reaction 

on different morphology of gold 

nanoclusters. J. Kim, N. Sinha, 

H. A. Gasteiger, C. Carlton, 

K. Hamad-Schifferli, Y. Shao-Horn 

Section E 


Hall C 




7:00–9:00 

521. Application of fluorinated heterometallic 

beta-diketonates for the synthesis of 

mixed-metal fluorides. A. Navulla, 

Z. Wei, J. Yang, H. Zhang, E. V. Dikarev 

522. Using nickel(II)-vinylimidazole complex 

ions as templates for biologically inspired 

“active-sites” in hydrogel networks. 

M. R. Bukowski 

523. Fluorescent sensors for Zn 2� based on 

�-extended dipyrrins: Synthesis and 

spectroscopic characterization. 

S. Thyagarajan, B. Ghosh, 

A. V. Cheprakov, A. Moore, 

S. A. Vinogradov 

524. Single and two-photon excitation fluorescence 

imaging of new zinc(II), copper(II), 

gallium(III) and indium(III) bis(thiosemicarbazonato) 

complexes for 

multimodal imaging of cancer. 

R. L. Arrowsmith,J.Zhong, 

G. Kociok-Köhn, P. A. Waghorn, 

P. Burgos, J. R. Dilworth, 

S. W. Botchway, F. I. Aigbirhio, 

R. M. Tyrrell, S. I. Pascu 

525. Supramolecular architectures and coordination 

polymers based on metallacrown 

complexes: Magnetic and sorption 

properties. A. V. Pavlishchuk, 

S. V. Kolotilov, M. Zeller, L. K. Thompson, 

I. O. Fritsky, A. W. Addison,A.D.Hunter 

526. Computational study of tridentate SNSpincer 

complexes: Toward an understanding 

of the liver alcohol dehydrogenase 

active site. M. A. Lynn, 

J. R. Miecznikowski, W. Lo, 

A. P. DiMarzio, K. M. Foley, L. C. Keilich, 

B. E. O’Loughlin 

527. Mechanistic studies of nitrile binding to 

Mo and V tris-anilide complexes involved 

in N 2 splitting. M. E. Germain, 

A. Castonguay, J. J. Curley, J. S. Silvia, 

M. Temprado, C. C. Cummins, C. D. Hoff, 

E. V. Rybak-Akimova 

528. Preparation and properties of 

{RuCl 2(NO)[PPh 2(CH 2) n-P(O)Ph 2] 2} � ,n� 

1or2.S. E. Knight, L. R. Walton, 

D. S. Amenta, J. W. Gilje, G. P. Yap 

529. Synthesis, characterization and coordination 

chemistry of a novel class of electroneutral 

phosphines. M. Choate, 

G. Peters, L. Tvedte, R. Baughman 

Section F 


Hall C 


Synthesis 


7:00–9:00 

530. Syntheses and characterization of 

dimeric metal complexes of 3,5-bis[bis(N- 

6-pivalamido-2-pyridylmethyl)aminomethyl]-1H-pyrazole 

containing intramolecular 

hydrogen bonding networks. 

K. Ng, J. W. Ziller, A. S. Borovik 

531. Aromatic crown ether/4,4�-bipyridinium 

pseudorotaxanes as a building block for 

metal organic rotaxane frameworks. 

I. R. Fernando, S. Bairu, C. Ziegler, 

R. Guda, G. Mezei* 

532. Iron and cobalt(II) clathrochelates with 

second fluorine-containing hydrophobic 

shell: Synthesis, X-ray structure, spectral 

and electrochemical properties. 

I. G. Makarenko, Y. Z. Voloshin, 

A. S. Belov, Z. A. Starikova, Y. N. Bubnov 

533. Mixed lanthanide/transition-metal clusters 

from polyoxometalate chemistry. 

J. R. Galan-Mascaros,S.Reinoso 

534. Chemistry of the fac-[Fe(CN) x(CO) 3I (3-x)] - 

Series (x � 1 – 3). O. Azran, A. Stock, 

J. Solaimanzadeh, J. Jiang 

535. Synthetic analogs of methanobactin. 

D. Rabinovich 

536. Synthesis and structural characterization 

of platinum(IV)-� 3 -terpyridine complexes. 

F. G. Baddour,M.I.Kahn, 

L. H. Doerrer 

537. Secondary coordination sphere effects 

on dicopper O 2 complexes. C. S. Letko, 

M. A. Thorseth, A. A. Gewirth, 

T. B. Rauchfuss 

538. Synthesis and characterization of rigid 

�2and�3 heteroleptic binuclear ruthenium 

coordination complexes. 

J. R. Alston,J.C.Poler 

539. Tris(guanidinato) complexes of iridium(III) 

and iridium(IV): Synthesis, characterization 

and reactivity. W. Lee, J. Rohde 

Section G 


Hall C 

Lanthanide and Actinide Chemistry 


7:00–9:00 

540. Magnetic studies of bimetallic Gd(III) 

complexes. J. D. Moore,M.J.Allen 

541. Increasing the oxidative stability of 

aqueous Eu(II) complexes. 

N. H. Gamage, Y. Mei, J. Garcia, 

M. J. Allen 

542. Morphology controlled colloidal synthesis 

of LnOCl nanocrystals and integration 

into thin films. K. R. Kort, S. Banerjee 

543. Extraction efficiencies of neodymium 

and europium trivalent ions using derivatives 

of the tripodal ligand tris(2-hydroxy- 

3,5-dimethylbenzyl)amine. R. Copeland, 

J. Drader, N. Elbers, G. Llerena, J. Friese, 

S. Friese 

544. Synthesis, spectroscopy and redox behaviour 

of ferrocene appended lanthanide 

complexes. S. Faulkner, 

M. Tropiano 






consent from ACS.

545. Developing novel nanoparticulated imaging 

system using luminescence enhancement 

of Eu(III) and Tb(III) by singlestrand 

DNA. D. A. Corcoran, 

D. L. Harms, P. K. Fu 

546. MRI contrast enhancement using 

Gd(III)-nanodiamond conjugates. 

L. M. Manus, D. J. Mastarone, X. Zhang, 

E. A. Waters, K. W. MacRenaris, 

G. Parigi, C. Luchinat, D. Ho, T. J. Meade 

547. Development of triphenoxymethane 

based ligands for the liquid-liquid extraction 

of lanthanides and actinides. 

G. L. Guillet, P. Hillesheim, M. J. Scott 

548. Computational and synthetic development 

of ligands for the selective binding 

of lanthanides and actinides. I. D. Hyatt, 

C. A. Rienas, M. J. Scott 

549. Synthesis and characterization of Gd 3� 

conjugated-hyperbranched polyglycerols 

for use as MR vascular imaging agents. 

C. A. Barta, N. A. Rossi, S. Horte, 

B. F. Lai, J. N. Kizhakkedathu 

Section H 


Hall C 



7:00–9:00 

550. Synthesis and reactivity of Ir III CCC- 

NHC pincer complexes. K. M. Schultz, 

W. Kaminsky, K. I. Goldberg, D. Heinekey 

551. Methane to methanol: A DFT study of 

the oxy-functionalization of metal alkyls. 

T. R. Cundari, B. M. Prince, T. M. Figg 

552. Production of poly(lactide) using aluminium 

and zinc complexes. 

O. Karroonnirun, D. J. Darensbourg 

553. N-doped SiO 2/TiO 2 core/shell nanoparticles 

as highly efficient visible light photocatalyst: 

Application in decomposition 

of water pollutant. C. Kim, J. Jang 

554. Preparation and characterization of 

supported binuclear copper complexes 

on Cab-O-Sil and their catalytic activity. 

S. A. Ranaweera, W. P. Henry, 

M. D. Rowe, K. B. Walters, M. G. White, 

J. M. Rodriguez 

555. Asymmetric reaction rates in terpolymers 

produced from CO 2 and epoxides. 

R. R. Poland, D. J. Darensbourg 

556. Novel metal nitride catalysts supported 

on magnetic silica microspheres for click 

reactions. S. Han, B. Lee, M. Yi, S. Chu, 

J. Lee, H. Kwon, K. Lee, D. Kang, D. Chi, 

N. Hur 

557. Carbon dioxide reduction with biomimetic 

molybdenum catalysts. A. Aron, 

J. Seo, E. Kim 

Section I 


Hall C 




7:00–9:00 

558. Organometallic furan derivatives for solar 

energy capture. N. C. Tice, 

A. Z. Preston, C. A. Snyder 

559. Preparation and structural characterization 

of bimetallic Iron�Nickel carbido 

cluster complexes. S. Saha,L.Zhu, 

B. Captain 

560. Synthesis and structure of gold and 

platinum menthyl complexes. 

A. A. Zuzek, S. C. Reynolds, J. A. Golen, 

A. L. Rheingold, D. S. Glueck 

561. Synthesis, structure, and spectroscopic 

properties of 2,3-bis(diphenylphosphino- 

)quinoxaline (dppQx) Cu(I) complexes. 

M. F. Cain, S. C. Reynolds, D. S. Glueck, 

J. A. Golen, A. L. Rheingold 

562. Formation of group 4 metallacyclopentanes 

from metallacyclopropenes: Investigation 

of the reactions with ethylene by 

in situ NMR and UV/vis spectroscopy. 

T. Beweries, C. Fischer, S. Peitz, 

V. V. Burlakov, P. Arndt, W. Baumann, 

A. Spannenberg, D. Heller, U. Rosenthal 

563. �-Coordinated chromium and manganese 

DBCOT complexes. N. Bandara, 

D. J. Beard, S. R. Gwaltney, W. P. Henry 

564. Oxidative addition and cleavage of sp 3 

C-F Bond by pincer iridium complexes. 

J. Choi,A.S.Goldman 

565. New PNP pincer ligand motifs as mechanistic 

probes into metal-ligand cooperation 

catalysis at ruthenium. E. Khaskin, 

M. A. Iron, D. Milstein 

566. Mononuclear guanidinato and amidinato 

complexes of iridium(I) and rhodium(I). 

M. R. Kelley,J.Rohde 

567. Synthesis of new photochromic organometallics 

based on a linkage isomerization. 

K. L. Mosley, K. R. Ruddick, 

J. O. Johnson, C. E. Webster, 

T. J. Burkey 

568. Investigation into the effects of halide 

substitution on the structures and N-CH 3 

oxidative addition reaction occurring in 

[PN(Me)P]RhX complexes. 

A. L. Fernandez, B. M. Foxman, 

O. V. Ozerov 

569. Reaction of O 2 with alkyl amide imide 

Ta(�NSiMe 3)[N(SiMe 3) 2](CH 2Bu t ) 2. 

mechanistic study of the formation of 

Ta(�NSiMe 3)[N(SiMe 3) 2](OCH 2Bu t ) 2. 

S. Chen, S. C. Hunter, X. Wang, Z. Xue 

570. Direct synthesis of (eta6-aniline) manganese 

tricarbonyl cation. W. Dai,S.Kim, 

P. D. Robert, D. A. Sweigart 

571. Synthesis, structures and reactivity of 

some azaferrocene boron-Lewis Acid donor-acceptor 

complexes. T. J. Brunker, 

B. T. Roembke, A. L. Rheingold, J. Golen 

572. Investigation of new imido ligands and 

their application to olefin metathesis. 

A. G. Lichtscheidl, R. R. Schrock 

573. Synthesis and characterization of ruthenium-glycals 

containing BINAP and 1,1�- 

Bis(diphenylphosphino)ferrocene. 

V. D. Reddy 

574. Synthesis and characterization of oxygenous 

ligands and their relevance to water 

oxydation. R. Huacuja, O. V. Ozerov, 

D. Graham, B. M. Foxman, C. Chen 



Section A 


Room 258A 


Catalysis 


A. Wenzel, J. Soper, Presiding 

8:30 576. Ruthenium metallacycles derived 

from 14- and 16-electron complexes: 

New methods for metallacycle preparation, 

and the insights gained from the 

study of these metathesis intermediates. 

A. G. Wenzel, R. H. Grubbs, G. Blake 

8:50 577. Influence of electronically and 

sterically tunable olefin-ligands on the 

properties of group 10 d 10 metal-complexes 

and correlation with reactivity. 

M. R. Buchner, K. Ruhland 

9:10 578. Platinum and nickel metal complexes 

containing bulky tin ligands. 

V. Yempally, L. Zhu, D. Isrow, B. Captain 

9:30 579. Palladium alkyl complexes with 

chelating N-heterocyclic carbene-sulfonate 

ligand. X. Zhou,R.F.Jordan 

9:50 580. Enhanced phosphorescence in 

cyclometalated Pt(II) complexes facilitated 

by triarylboron. Z. M. Hudson, 

C. Sun, H. Amarne, S. Wang 


10:15 581. Gilded organometallics: Recent 

developments. T. G. Gray, D. V. Partyka, 

L. Gao, T. J. Robilotto, N. Deligonul 

10:35 582. Novel bis(2-pyridyl)borato platinum(II) 

complexes for alkane C-H bond 

functionalization. S. Pal, A. N. Vedernikov 

10:55 583. Luminescent Au(I)/Cu(I) alkynyl 

clusters of ethynyl steroids and related aliphatic 

acetylides. G. Manbeck, 

W. Brennessel, R. Stockland, 

R. Eisenberg 

11:15 584. Redox-active ligand-mediated 

coupling reactions at square planar manganese, 

iron and cobalt centers. 

J. D. Soper 

11:35 585. Paramagnetic multinuclear complexes 

bridged by alkynyl-type ligands. 

M. P. Shores, W. A. Hoffert, B. S. Newell, 

A. K. Rappe 

11:55 586. C-H and C-CN bond activation 

of acetonitrile with [Cp*Rh(PMe 3)]: An experimental 

and theoretical investigation. 

M. E. Evans, T. Li, W. D. Jones 

Section B 


Room 258C 




L. Mirica, Presiding 

8:30 587. Oxidative addition and reductive 

elimination of C-H bonds of aryl halides 

by a pincer-ligated iridium complex. 

D. A. Laviska,D.Y.Wang, 

K. Krogh-Jespersen, A. S. Goldman 

8:50 588. Complexes of pincer ligands with 

a central silylene donor. O. V. Ozerov, 

W. Gu, J. R. Walensky 

9:10 589. Activation of NH bonds by ruthenium 

via metal-ligand cooperation. 

E. Khaskin, M. A. Iron, L. J. Shimon, 

D. Milstein 

9:30 590. Four-coordinate Ru(II) amdio 

PNP-pincer complexes. B. Askevold, 

J. Meiners, M. Khusniyarov, 

E. Herdtweck, S. Schneider 

9:50 591. Studies of oxygenous ligands and 

their relevance to transiton metal-catalyzed 

water oxidation. R. Huacuja, 

O. Ozerov, D. Graham, B. Foxman, 

C. Chen 

10:10 592. Effect of mono- and dianionic ligands 

on the reactivity of monoalkylplatinum(II) 

complexes toward O 2 in water. 

A. Sberegaeva, A. Vedernikov 

10:30 593. Reactivity of Pt and Rh hydrocarbyl 

complexes with oxidants. J. R. Webb, 

T. Gunnoe 


10:55 594. O-Ligated monoaryl palladium(IV) 

complexes: Experimental and 

computational study of direct C(sp 2 )-O 

reductive elimination from Pd IV center. 

A. N. Vedernikov,W.Oloo 

11:15 595. Mononuclear alkyl and aryl Pd(III) 

complexes and their reactivity in C-C and 

C-X bond formation. L. M. Mirica, 

J. R. Khusnutdinova 


electrochemical studies of Pd(III) complexes 

stabilized by polydentate N-donor 

ligands. J. R. Khusnutdinova, 

L. M. Mirica 

11:55 597. Chemistry and electrochemistry 

of fluorinated rhodium acyl diphosphine 

complexes, Rh(COR)(P-P)X 2. 

B. D. Panthi, S. L. Gipson, A. Franken 

Section D 


Room 259A/B 


Synthesis 


J. Rohde, Presiding 

8:30 598. Synthesis, spectroscopic and 

electrochemical characterizations, density 

functional theory calculations, and 

activity screening of tridentate SNS zinc 

pincer complexes. J. R. Miecznikowski, 

W. Lo, M. A. Lynn, N. F. Kloczko, 

B. E. O’Loughlin, A. P. DiMarzio, 

L. C. Keilich, K. M. Foley 

8:50 599. Mixed-valence models for [NiFe] 

hydrogenase: Synthesis and reactivity. 

D. Schilter, B. E. Barton, M. J. Nilges, 

T. B. Rauchfuss 

9:10 600. Family of new Mn/Ln (Ln � lanthanide) 

single-molecule magnets with 

record magnetization reversal barriers for 

3d-4f SMMs. C. Papatriantafyllopoulou, 

K. A. Abboud, W. Wernsdorfer, 

G. Christou 

9:30 601. Pseudo-tetrahedral metal-oxo 

complexes supported by bulky alkoxides. 

M. B. Chambers, S. Groysman, 

D. G. Nocera 

9:50 602. Synthesis, structure, and spectroscopy 

of an iron(I)-sulfide complex. 

M. M. Clark, B. D. Stubbert, 

W. W. Brennessel, E. Bill, P. L. Holland 

10:10 603. Synthesis, electrochemistry, and 

magnetic properties of a binuclear bis(�- 

OMe) Co(II)Co(III) mixed-valent complex. 

J. Luo, L. M. Mirica 

10:30 604. Binucleating ligands: Control of 

the M-M distance in transition metal 

complexes. F. Tang, L. Mirica 

10:50 605. New aspects of chirality and molecular 

sensing in metallocorrole chemistry. 

O. A. Egorova, O. G. Tsay, K. Kim, 

D. G. Churchill 

11:10 606. Dialkyldiarylguanidinato(1–) ligands 

and their iridium(I), iridium(III) and 

iridium(IV) complexes. J. Rohde, W. Lee, 

M. R. Kelley 

11:30 607. Outer vs. inner-sphere redox 

chemistry of 3d transition metal tris(pyrrolide)ethane 

complexes. G. T. Sazama, 

T. A. Betley 

11:50 608. Dipyrromethene supported lowcoordinate 

high-spin iron complexes and 

their reactivity as platforms for C-H functionalization 

via oxidative group transfer. 

E. R. King, T. A. Betley 

12:10 609. Rational design and synthesis of 

polynuclear clusters to control M-M interactions. 

A. R. Fout,T.A.Betley 

Section F 


Room 257B 


Polymer-related Research 


J. Burgess, N. Kariuki, Presiding 

8:30 610. Palladium alloys for oxygen reduction 

in polymer electrolyte fuel cells. 

N. N. Kariuki, X. Xiaoping, S. Niyogi, 

D. J. Myers, T. Hofmann, Y. Zhang, 

C. Heske, W. A. Goddard, III,, B. Merinov, 

T. Yu 

8:50 611. N-benzylazole and hydroxypyridine 

substituted polyphosphazenes to be 

used as proton exchange membranes in 

fuel cells. S. K. Ekanayake, S. Moolsin, 

M. J. Panzner, C. A. Tessier*, 

W. J. Youngs* 

9:10 612. Polymer microblades in srtificial 

muscles: Toward bio-inspired adaptive 

optics and self-sustaining propulsion. 

P. Kim, J. M. Epstein, L. D. Zarzar, 

M. Aizenberg, J. Aizenberg 





INOR 

TECH–69


9:30 613. Lanthanide-containing conducting 

metallopolymers for near-infrared lightemitting 

materials. X. Chen,Y.Yin, 

X. Yang, B. J. Holliday 

9:50 614. Nanostructured SiOC low dielectric 

film derived from inorganic polymer. 

Y. Kim, J. Kim, Y. Lee, W. Kwon, S. Kim, 

D. Choi 


10:30 615. Nanoscopic patterned materials 

with tunable dimensions via atomic layer 

deposition on block copolymers. 

Q. Peng, Y. Tseng, S. B. Darling, 

J. W. Elam 

10:50 616. Non-hydrolytic synthesis, characterization, 

and electronic structure of 

colloidal early transition metal oxide 

nanocrystals. S. W. Depner, K. R. Kort, 

C. Jaye, H. Zhang, D. A. Fischer, 

S. Banerjee 


amorphous pyrophosphates and their 

use in brushite bone cements. C. Slater, 

A. J. Wright, L. M. Grover, V. Burnell, 

D. Laurencin, J. A. Hriljac, M. E. Smith 

11:30 618. Hybrid polyoxometalates, from 

molecular catalysts to functional materials. 

M. Carraro, G. Modugno, A. Sartorel, 

M. Bonchio, G. Scorrano 

Section G 


Room 256 

Nanoscience 

Growth and Design 


I. Hakem, K. Balkus, Presiding 

8:30 619. Large scale ZnO nanodendrites 

converted by an in-situ carbothermal 

method and their application as gas sensors. 

P. Shimpi,P.Gao 

8:50 620. Thermal behavior study of 

�-Fe 2 O 3 and �-FeOOH nanocapsules 

structures. Y. Kim, R. Yu, J. Pee, K. Kim 

9:10 621. Tuning the metal-insulator phase 

transition in VO 2 nanostructures. 

L. Whittaker, T. Wu, C. Jaye, D. Fischer, 

S. Ganapathy, S. Banerjee 

9:30 622. Nanostructured vanadium oxides 

by chemical vapor transport and hydrothermal 

methods. J. M. Velazquez, 

C. Jaye, D. A. Fischer, S. Banerjee 

9:50 623. Vanadium oxide nanotube films 

prepared via pulsed laser ablation. 

K. Balkus, S. D. Perera, J. Bonso, 

J. Ferraris 


10:40 624. Experimental and theoretical 

evaluation of the distribution of functionality 

of surface modified nanoparticles. 

I. F. Hakem, J. Walker, A. Leech, 

J. Johnson, S. Donahue, 

M. R. Bockstaller 

11:10 625. Nanoclusters of dicyanocuprate 

(I) ions doped in different alkali halides. 

X. Li, D. A. Welch, F. Baril-Robert, 

H. H. Patterson 

11:30 626. Efficient assemby of photochromic 

spiropyran molecules on zeolite 

nanostructures. K. Dubois, E. Garcia, 

S. Bent, G. Li 

11:50 627. Controlling ice formation on 

nanostructured superhydrophobic surfaces. 

L. Mishchenko,B.Hatton, 

J. Taylor, V. Bahadur, T. Krupenkin, 

J. Aizenberg 

12:10 628. Large-scale soft colloidal template 

synthesis of 1.4 nm-thick CdSe 

nanosheets. J. Son, T. Hyeon 

70–TECH 


Section C 


Room 258B 


L. Doerrer, S. Koch, Organizers 

M. Millar, Organizer, Presiding 

9:00 629. Coordination chemistry of bidentate 

and tridentate N-aryl-substituted imino-N-heterocyclic 

carbene ligands. 

G. G. Lavoie, S. Dastgir, A. C. Badaj, 

T. G. Larocque 

9:30 630. Ligands which provide hydrogen 

bonds near and far from the metal center. 

E. T. Papish, M. Kumar, I. Nieto, 

S. W. Shim, S. N. Oseback, N. A. Dixon, 

M. Zeller 

10:00 631. Ligands designed for mimicking 

the diiron centers of bacterial monooxygenases. 

L. Do, Y. Li, S. J. Lippard 


10:50 632. Fluorinated ligands vs. fluorine 

as a ligand. L. H. Doerrer 

11:20 633. Designing ligands to enforce 

multielectron excited state chemistry. 

D. G. Nocera 

12:00 634. On the use of various thiolate ligands 

to replicate the chemistry of metalcysteine 

centers in nature. M. Millar 

Section E 


Room 257A 

Lanthanide and Actinide Chemistry 

B. Donovan-Merkert, A. De Bettencourt 

Dias, Organizers 

S. Bart, Presiding 

9:00 635. Interaction between CMPO and 

HDEHP in combined TRUEX-TALSPEAK 

extraction process. P. Tkac, 

G. F. Vandegrift, G. Lumetta, A. Gelis 

9:20 636. Placement of lanthanide and actinide 

elements in the Periodic Table. 

G. Katz 

9:40 637. Metal-loaded liquid scintillator for 

neutrino experiment. S. Hans,M.Yeh, 

R. Hahn, L. Hu 

10:00 638. Synthesis and reactivity of uranium 

compounds containing redox-active 

�-diimine ligands. S. J. Kraft, 

P. E. Fanwick, S. C. Bart 

10:20 639. Encapsulation of the uranyl dication. 

O. B. Berryman, S. Beer, D. Ajami, 

J. Rebek Jr. 


10:50 640. Organometallic chemistry of lowvalent 

uranium complexes with hydrotris(pyrazolyl)borate 

ligands. S. C. Bart, 

E. M. Matson, P. E. Fanwick 

11:10 641. Transformation and curvature in 

uranyl diphosphonate system: Synthesis 

and structural characterization from single 

X-ray crystallography. P. O. Adelani, 

T. E. Albrecht-Schmitt 

11:30 642. Controllable optical properties of 

luminescent core-shell rare-earth ion 

doped nanoparticles. J. Dorman, 

J. P. Chang 

11:50 643. Novel lanthanide complexes as 

potential photodynamic therapeutic 

agents. S. Gangula, A. Blinder, P. K. Fu 

12:10 644. Strong ytterbium (III)-induced 

near-infrared emission by a BODIPYmodified 

bidentate ligand. H. He, 

Y. Zhong, A. Sykes 




Analytical Science Sponsored by ANYL, 

Cosponsored by INOR 


Section A 


Room 258A 




T. Betley, Presiding 

1:30 645. Photochemical reaction of 1-ferrocenyl-4-phenyl-1,3-butadiyne 

and 

Fe(CO) 5 in presence of CS 2 and S 8-powder. 

R. S. Ji, P. Mathur 

1:50 646. Metal complexes containing redox 

noninnocent aryldithiolate N-heterocyclic 

carbene ligands. B. Pan,C.M.Thomas 

2:10 647. Lithium dimethylcuprate and thiocarbonyl 

compounds: Observation, characterization 

and reactions of pi complexes. 

A. A. Thomas, Y. Moazami, 

J. D. Richter, S. H. Bertz, M. D. Murphy, 

C. A. Ogle 

2:30 648. Low energy solar neutrino spectrometer 

(LES). L. Hu, S. Rountree, 

R. Raghavan, S. Hans, M. Yeh, 

R. L. Hahn 

2:50 649. Deprotonation of N-alkylimidazole 

ligands: New reactivity patterns. 

J. Perez, L. Riera, M. A. Huertos 

3:10 650. Bimetallic carbon-halogen bond 

oxidative addition at Co(0). D. Zhu, 

P. H. Budzelaar 


3:35 651. Increasing the sensitivity of NMR 

spectroscopy: Iridium catalysts for polarisation 

transfer from para-hydrogen. 

M. J. Cowley, S. B. Duckett, G. Green 

3:55 652. Photochromic cyclopentadiene 

manganese tricarbonyl derivatives: Participation 

of imine group during linkage 

isomerization. T. J. Burkey, K. L. Mosley, 

C. E. Webster, K. R. Ruddick, P. P. Lubet, 

J. O. Johnson, E. J. Heilweil 

4:15 653. Role of Lewis acids in the reductive 

coupling of CO in Re and Mn cations: 

Intermolecular metal-free cleavage of dihydrogen 

and intramolecular facilitation 

of C-C bond formation. A. J. Miller, 

J. A. Labinger, J. E. Bercaw 

4:35 654. Catalytic, iron-mediated C-H 

bond functionalization chemistry. 

T. Betley, E. Hennessy, E. King, 

G. Edouard 

Section B 


Room 258C 

Organometallic Chemistry Catalysis 


A. Sadow, R. Waterman, Presiding 

1:30 655. Novel Chromium-based catalyst 

system for the highly selective trimerization 

of ethylene to 1-hexene. S. Peitz, 

N. Peulecke, B. R. Aluri, B. H. Müller, 

U. Rosenthal,A.Wöhl, W. Müller, 

M. H. Al-Hazmi, F. M. Mousa 

1:50 656. Synthesis, reactivity and mechanistic 

studies of Molybdenum pyrrolide 

alkylidene species supported by chiral 

bulky alkoxides. S. C. Marinescu, 

R. R. Schrock, P. Müller, J. H. Simpson, 

A. H. Hoveyda 

2:10 657. Mechanistic studies of ring-opening 

metathesis polymerization with molybdenum 

monoaryloxide monopyrrolide 

catalysts. L. Gerber, R. R. Schrock 

2:30 658. New catalysts for C-N bond formation 

involving hydroamination and related 

mechanistic investigations. 

A. D. Sadow 

2:50 659. Scope and mechanism of cis- and 

syndio-selective ring opening metathesis 

polymerization with molybdenum imido 

alkylidene complexes. M. M. Flook, 

R. R. Schrock 

3:10 660. Catalytic C–H bond amination and 

aziridination using organoazides from a 

ferrous dipyrromethene platform. 

E. T. Hennessy, T. Betley 

3:30 661. SiH bond activation reactions involving 

a coordinatively saturated zinc(II) 

center. D. Mukherjee, A. Ellern, 

A. D. Sadow 

3:50 662. Zirconium-mediated and -catalyzed 

P–C bond-forming reactions. 

A. J. Roering, S. E. Leshinski, 

R. Waterman 

4:10 663. Advances in phosphine dehydrocoupling 

and applications. M. Ghebreab, 

R. Waterman 

4:30 664. Indenyl Co(I) complexes: Synthesis, 

structure, and reactivity. 

F. Hung-Low, C. A. Bradley 

4:50 665. Synthesis and reactivity of iron 

pincer complexes. P. Bhattacharya, 

J. A. Krause, H. Guan 

5:10 666. Unusual activation of silanes resulting 

from � 3 -coordination to 

[PhBP3]RuH. M. C. Lipke, T. Tilley 

Section C 


Room 258B 



C. Murillo, Presiding 

1:30 667. Matrix photochemistry of 

PdL 2(N 3)X derivatives. W. A. Thornley, 

T. E. Bitterwolf 

1:50 668. High valent transition metals featuring 

siloxide ligands. M. P. Marshak, 

D. G. Nocera 

2:10 669. Combined ligand �/metal � and ligand 

p�/metal-d� interactions indicated 

by magnetic and structural data. 

C. A. Murillo, G. M. Chiarella, 

D. Villagran, X. Wang 

2:30 670. Dioxygen activation by low valent 

chromium compounds. F. Dai, 

L. MacAdams, G. P. Yap, K. Theopold 

2:50 671. Synthesis and crystal structure of 

(benzo[1,2-c:3,4-c�:5,6-c�]trithiophene)2(7,7,8,8-tetracyano-p-quinodimethane) 

a possible 1D thermoelectric 

material. J. E. Schmidt, D. S. Dudis, 

A. V. Fratini 

3:10 672. Incorporation of main group elements 

into phosphorus-rich compounds 

via M[P 3Nb(ODipp) 3] platforms. A. Velian, 

C. C. Cummins 

3:30 673. Enhanced oxidative desulfurization 

of fuels using a film shear reactor. 

B. R. Fox, J. L. Male, D. R. Tyler 

3:50 674. Dimetal nitride chemistry and new 

insight into dirhodium catalyzed aminations. 

A. K. Long, J. F. Berry 

4:10 675. Luminescent rhenium(I) complexes 

incorporating a thiophene-functionalized 

bis(pyrazolyl) pyridine ligand. 

L. A. Lytwak, B. J. Holliday 

4:30 676. Comparing metal assisted thiolate 

disulfide exchange reactions (M�Au, Zn). 

G. S. Garusinghe,M.R.Bruce, 

A. E. Bruce 

4:50 677. Stopped flow ultra rapid IR studies 

of ClNO with metal complexes. 

M. L. Reback, T. E. Bitterwolf, 

P. R. Griffiths 






consent from ACS.

Section D 


Room 259A/B 




C. Lu, Presiding 

1:30 678. Controlling the polymerization of 

2,6-hexadiyne-diole in 1D metal-organic 

frameworks (MOFs) like [Al(OH)(terephthalate)] 

n: Structural investigations and 

possible properties. M. Meilikhov, 

K. Yusenko, R. A. Fischer 

1:50 679. Reactivity of early/late heterobimetallic 

complexes featuring metal-metal 

multiple bonds: Small molecule activation 

and catalytic applications. 

C. M. Thomas,G.T.Rowe, 

B. P. Greenwood, J. W. Napoline, 

W. Zhou, D. J. Graham, B. M. Foxman 

2:10 680. Orotate complexes of cobalt: Solid-state 

phase transition and metalloligand 

behavior toward silver and thallium. 

L. R. Falvello,M.Tomás, G. Martínez, 

N. Mushale 

2:30 681. Double bond between metals in 

the H 2Os 3(CO) 10 and H 2Ru 3(CO) 10 clusters? 

R. J. Alvarez-Mendez, 

O. Reyes-Lopez, M. J. Rosales-Hoz, 

A. Vela 

2:50 682. Synthesis, reactivity, and photochemistry 

of heterobimetallic rhodiumgold 

halide and hydride complexes. 

T. S. Teets, M. P. Neumann, 

D. G. Nocera 

3:10 683. Pseudorotaxanes as ligands for 

the construction of metal-organic molecular 

devices. G. Mezei, I. R. Fernando, 

S. Bairu, R. Guda, C. J. Ziegler 

3:30 684. Using molybdenum tetracarbonyl 

complexes to investigate photoinduced 

ligand field switching in photochromic 

spirooxazine ligands. M. M. Paquette, 

B. O. Patrick, N. L. Frank 


4:10 686. Copolymerizable ligands, and 

their incorporation in polymer based 

Cu 2� sensors. J. Massing, 

N. Bencivenga, J. Du, R. Ding, S. Yao, 

R. Planalp, R. Seitz, J. Reddel 

4:30 687. Reactivity of pseudotetrahedral 

nickel(II) arylthiolate complexes. 

M. Jensen, S. Chattopadhyay, T. Deb, 

V. G. Young, Jr. 

4:50 688. Characterization of high-spin triiron 

complexes with variable metal-metal 

interaction. E. V. Eames, T. A. Betley, 

Q. Zhao 

5:10 689. Reaction mechanism in the synthesis 

of (PNP)Rh�O using N2O. 

J. G. Andino,K.G.Caulton 

Section E 


Room 257A 



J. Caradonna, L. Doerrer, Presiding 

1:30 690. Discrete Cu(I) and dioxygen reactivity 

without N-donor ligands. J. S. Lum, 

L. H. Doerrer 

1:50 691. Fluorinated cobalt alkoxide complexes. 

S. A. Cantalupo, L. H. Doerrer 


of a reactive synthetic model complex to 

mimic the chemistry of TauD. 

P. C. Tarves, P. J. Cappillino, 

J. P. Caradonna 

2:30 693. Density functional theory (DFT) 

study of a series of Fe II/III nonheme iron 

oxygenase model compounds. 

J. S. McNally, P. J. Cappillino, F. Wang, 


2:50 694. Reactivity studies of a functional 

non-heme iron enzyme model complex 

using stopped-flow UV/vis spectroscopy. 

L. C. Gregor,G.T.Rowe, 

E. V. Rybak-Akimova, J. P. Caradonna 

3:10 695. Studies toward understanding the 

mechanism of allosteric activation in phenylalanine 

hydroxylase. S. R. Soltau, 

G. Anarat, R. Napoleon, D. Kozakov, 

S. Vajda, J. P. Caradonna 

3:30 696. Investigation into the kinetic 

mechanisms and characterization of the 

active sites of truncated and full-length 

phenylalanine hydroxylases. 

B. J. Salsbery, G. Anarat, 


3:50 697. Differential studies of the kinetics, 

mechanisms, and active site structures of 

truncated and full length phenylalanine 

hydroxylase. J. P. Caradonna 

4:10 698. Membrane permeable and impermeable 

sensors for the visualization and 

quantification of mobile zinc. 

D. Buccella,S.J.Lippard 

4:30 699. New synthetic platforms that 

mimic the structure and function of diiron 

monooxygenases. L. H. Do,S.J.Lippard 

4:50 700. Dioxygen activation in T201 variants 

of toluene/o-xylene monooxygenase 

hydroxylase from Pseudomonas sp. OX1. 

W. Song,S.J.Lippard 

5:10 701. Mechanistic studies of dioxygen 

activation in soluble methane monooxygenase. 

C. E. Tinberg,S.J.Lippard 

Section F 


Room 257B 


Metal Organic Frameworks and Porous 

Surfaces 


D. Knight, K. Chapman, Presiding 

1:30 702. Exceptionally high acetylene uptake 

in a microporous metal-organic 

framework with open metal sites. 

S. Xiang, W. Zhou, Y. Liu, B. Chen 

1:50 703. Novel monovalent metal organophosphates. 

T. L. Kinnibrugh, 

N. Jimenez Garcia, A. Clearfield 

2:10 704. Effects of crystal structure and 

linker on MOF luminescent properties. 

S. T. Meek, P. L. Feng, J. J. Perry, 

P. Doty, M. D. Allendorf 

2:30 705. Pressure-induced pore modification 

and amorphization in a metal-organic 

framework. K. W. Chapman, 

G. J. Halder, P. J. Chupas 

2:50 706. Metals supported on covalent organic 

frameworks as heterogeneous catalysts. 

C. E. Chan-Thaw, M. Bojdys, 

P. Katekomol, K. Kailasam, R. Palkovits, 

F. Schüth, A. Villa, L. Prati, A. Thomas 


3:30 707. Novel hydrogen storage materials 

obtained via the stabilization of aluminum 

borohydride. D. A. Knight, R. Zidan, 

R. Lascola, T. Motyka, 

P. Simvasubramanian, R. Mohtadi 

3:50 708. Chemistry of trimethylaluminium: 

A spontaneous route to thermally stable 

3D crystalline macroporous alumina 

foams with a hierarchy of pore sizes. 

B. Su, Y. Li, X. Yang 

4:10 709. Dry water: Can we still make 

waves? B. O. Carter, J. V. Weaver, 

D. J. Adams, A. I. Cooper, W. Wang, 

D. G. Spiller 

4:30 710. ZnO nanostructures with outstanding 

gas sensing performance. 

D. Bekermann, D. Barreca, E. Comini, 

A. Gasparotto, C. Maccato, R. A. Fischer, 

A. Devi 

Section G 


Room 256 

Nanoscience 

Biology 


S. Pascu, Presiding 

1:30 711. Nanotubes as radiopharmaceuticals 

for cancer imaging and therapy. 

Y. Mackeyev, J. Sims-Mourtada, 

L. Wilson, I. Tworowska 


computed tomography imaging of a tantalum 

oxide nanoparticle imaging agent. 

P. J. Bonitatibus Jr, A. S. Torres, 

G. D. Goddard, P. F. FitzGerald, 

A. M. Kulkarni 

2:10 713. Synthetic extracellular matrices 

and nanostructures for biomedical applications. 

W. Suh, G. Stucky, M. Tirrell 

2:30 714. Production of zeolite including microfluidic 

channels: Applications in biosensors. 

S. K. Kirdeciler, 

B. Ozansoy Kasap, B. Akata, S. Öztürk 

2:50 715. Design, synthesis, and characterization 

of functional carbon nanomaterials 

for bioimaging applications: Toward 

healthcare for the modern age. 

S. I. Pascu 


3:30 716. Novel approach to nanoscale materials 

assembly using bioengineered spider 

silk fusion proteins and chemically 

generated fusion proteins- application to 

the synthesis of a range of nanosized 

metal and oxide particles. C. C. Perry, 

O. Deschaume, H. A. Currie, D. L. Kaplan, 

E. Boix-Lopez, L. Canabady-Rochelle, 

D. J. Belton 

4:00 717. DNA-mediated assembly of 

nanocubes. F. Lu, Y. Zhang, 

D. van der Lelie, O. Gang 

4:20 718. Dephosphorylation of biologically 

relevant molecules by cerium oxide nanoparticles 

(CNP). M. H. Kuchma, J. Colon, 

B. Alvarado, C. H. Baker, A. Teblum, 

A. Masonov 

4:40 719. Design of intracellular pH sensitive 

nanovalve on mesoporous silica nanoparticle. 

M. Xue,H.Meng,T.Xia, 

Y. Zhao, J. F. Stoddart, A. E. Nel, 

J. I. Zink 

5:00 720. Noninvasive release of drugs by 

magnetic actuation of mechanized nanoparticles. 

C. R. Thomas, D. P. Ferris, 

J. Lee, J. Cheon, J. I. Zink 

5:20 721. Effect of surface chemistry on uptake, 

distribution and excretion of nanomaterials 

by Japanese medaka. Z. Zhu, 

R. Carboni, M. Quercio, B. Yan, 

O. R. Miranda, K. F. Arcaro, R. W. Vachet, 

V. M. Rotello 




Materials Chemistry & Nanoscience 

Sponsored by ANYL, Cosponsored by INOR 


Section A 


Hall C 



7:00–9:00 

722. High yield flash-quench method to 

probe long-range electron transfer. P. Lin 

723. Bioinspired small molecule activation 

with monofunctionalized aminopyridine 

macrocyclic complexes of iron. 

T. Palluccio, V. Organo, W. Ye, 

E. Rybak-Akimova 

724. Interface probing with 2,6-pyridinedicarboxylic 

acid: CTAB micelles and reverse 

micelles. E. Gaidamauskas, 

D. Cleaver, P. B. Chatterjee, D. C. Crans 

725. Aromatic hydroxylation at nonheme iron 

model complexes: Kinetics and insights 

into the nature of the active species. 

O. Makhlynets, P. Das, L. Que Jr., 

E. Rybak-Akimova 

726. Role of the [Fe-S] protein YfaE in the 

biosynthesis of the diferric-tyrosyl radical 

cofactor of class Ia ribonucleotide reductase. 

C. Shih, C. Wu, W. Jiang, C. Krebs, 

J. Stubbe 

727. Development of heme fusion tags for 

protein affinity purification, for protein 

quantitation, and for monitoring protein 

folding. W. B. Asher,T.D.Krauss, 

K. L. Bren 

728. Kinetic studies of formation and reactivity 

of peroxo- and Fe III Fe IV intermediates 

with tris-picolylamine ligands. X. Sun, 

S. V. Kryatov, E. V. Rybak-Akimova 

729. Spectroscopic and computational investigations 

into the mechanism of oxalate 

decarboxylase. A. M. Glass, 

T. A. Jackson 

730. Immobilization of Cellobiase enzyme in 

mesoporous silica and its application in 

saccharification of biomass. S. Das, 

D. Berke-Schlessel, Y. Wei 

Section B 


Hall C 



7:00–9:00 

731. Self-assembled monolayers of heteroleptic 

ruthenium complexes incorporating 

redox-active ligand architectures. 

J. P. Harney, D. A. Walsh, J. Rochford 

732. Kinetic studies of labile olefins of platinum(II) 

complexes. J. A. Dudziak, 

J. D. Atwood 

733. Electronic perturbations of iron dipyrromethene 

complexes by variations in the 

ligand periphery. A. B. Scharf, 

T. A. Betley 

734. Oxidation of alcohols by a tetra-ruthenium 

polyoxometalate complex: Kinetics 

and mechanism. G. Zhu,C.Besson, 

Y. V. Geletii, P. Zhuk, D. G. Musaev, 

C. L. Hill 

735. Elctron transfer in [Ru(bpy) 2(5,5�dabpy-(phe-A) 

2)] 2� dyad. I. Hsu 

736. Synthesis, characterization, and metalation 

of phthalocyanine analogs with 

phenol and resorcinol units. R. S. Costa, 

C. J. Ziegler 

737. Contrasting magnetic dimensionality 

and other properties of nickel dibromide 

dihydrate and monohydrate. 

G. C. DeFotis,A.S.Hampton, 

J. M. Pothen, C. M. Davis, C. L. DeSanto 

738. Contrasting magnetic dimensionality 

and other properties of manganese dibromide 

dihydrate and monohydrate. 

G. C. DeFotis,A.S.Hampton, 

J. M. Pothen 

739. Detection via coumarin-based sensors 

for sensing metal ions and nerve gas 

agents. E. Sinn,F.A.Abebe 

740. Land-use and land cover effects on 

stream physical and chemical parameters 

of the Neponset River Watershed. 

N. D. Henderson, A. D. Christian, 

R. E. Hannigan 





INOR 

TECH–71

INOR/MEDI TECHNICAL PROGRAM 

Section C 


Hall C 

Nanoscience 

Zero-dimensional Structures 


7:00–9:00 

741. Synthesis and characterization of perovskite 

PbTiO 3 nanoparticles with solution 

processibility. J. Wang,Z.Lin 

742. Shape-controlled synthesis of ferroelectric 

BaTiO 3 nanocrystals via nonaqueous 

thermal decomposition. Z. Lin, 

J. Wang 

743. Surface modification of CuInS 2 nanoparticles. 

Y. Kim,H.Yang,H.Kim,K.Kim 

744. Synthesis via green chemistry and characterization 

of metal and mixed metal 

nanoparticles. S. K. St. Angelo, 

E. L. Hartz, K. A. Cohen, M. C. Kyper 

745. Structural host effects on the nature of 

mixed-metal interactions in nanoclusters 

of dicyanoargentate(I) and dicyanoaurate(I) 

ions doped in different alkali halides. 

H. H. Patterson, D. A. Welch, 

F. Baril-Robert, X. Li 

746. Highly massive synthesis of gold nanoparticles 

using polymeric reduction and 

capping agent of polyethyleneimine. 

R. Kim,W.Kim,J.Yi 

747. Integrated synthetic methodology for 

surface passivation and kinetic stabilization 

of aluminum nanoparticles with polymerizable 

capping agents. B. J. Thomas, 

S. W. Buckner, M. A. Burgers, 

S. W. Chung, D. W. Hammerstroem, 

P. A. Jelliss, C. D. Oberle, C. E. Bunker, 

E. A. Guliants, S. E. Hayes, K. Wentz 

748. Structural and optical properties of 

transition-metal nanoparticles in nanoporous 

silica matrices. P. Jagassar, 

J. C. Colis, S. Dehipawala, 

D. S. Amarasinghe, H. D. Gafney 

749. Step-by-step heteroepitaxial growth of 

Pd@Au@Pd@Au and Au@Pd@Au@Pd 

core-multishell nanocrystals. F. Wang, 

J. Wang 

750. Experimental validation of a chemomechanical 

model: Bridging the �m–nm 

gap. T. J. Kucharski, Z. Huang, Q. Yang, 

S. Akbulatov, Y. Tian 

Section D 


Hall C 



7:00–9:00 

751. Development of a materials chemistry 

process for solution fabricated amorphous 

metal oxide thin film transistors. 

K. K. Banger, R. L. Peterson, K. Mori, 

Y. Yamashita, T. Leedham, H. Sirringhaus 

752. Preparation and characterization of silver 

chloride/silver nanostructures for 

plasmonic photocatalyst. K. Shin, J. Jang 

753. Development of a simple preparation 

method of multimetallic oxides related to 

the SHArK project. K. J. Watkins, 

L. M. Breindel, M. D. Dallas, D. V. Tryon, 

C. C. Raymond 

754. From single molecule to nanoscopically 

structured materials: Rational reversible 

self assembly of metal chalcogenide/ 

metal oxide nanostructures based on 

Pearson’s hardness. J. K. Sahoo, 

M. N. Tahir, A. Yella, T. Schladt, 

W. Tremel 

755. Synthesis and characterization of cobalt 

doped ZnO. L. A. Smith, T. Fereday, 

J. Harris, A. Thurber, J. Brotherton, 

W. B. Knowlton, A. Punnoose, B. J. Frost 

72–TECH 


756. Chemical vapor deposition of vanadium 

(V) oxide using two different precursors: 

Effects of precursor chemistry on film 

morphology. H. Leonard, T. Moersch, 

C. Taylor 

757. Dye-sensitization of europium chalcogenide 

semiconductors. S. Kar, 

M. W. Megra, S. L. Stoll 

758. Surface interactions of boron nitride on 

ruthenium (0001) surfaces. G. R. Morello, 

T. R. Cundari, J. A. Kelber, B. Chilukuri, 

C. Bjelkevig, M. Zhou 

759. Biomimetic cross-linking polymers inspired 

by mussel adhesive proteins. 

C. R. Matos-Pérez, J. D. White, 

J. J. Wilker 

760. Colloidal crystals and inverse patterned 

colloidal crystals of well-ordered nano/ 

microstructured array of conducting polymer 

films. R. B. Pernites, M. Felipe, 


761. Targeted synthesis of novel porous organic 

framework that store gas. T. Ben, 

S. Qiu 

762. Microporous luminescent metal-organic 

framework for highly selective and sensitive 

sensing of Cu 2� in aqueous solution. 

Y. Xiao, Y. Cui, Q. Zheng, S. Xiang, 

G. Qian, B. Chen 

Section E 


Hall C 




7:00–9:00 

763. Synthesis, characterization, magnetic 

properties and 120 K crystal structure of 

[Cu(phen) 2(ONO 2)][NO 3].HDCI: Further insights 

into structural pathways involving 

nitrato copper(II) complexes. B. Murphy 

764. Kumada coupling reactions catalyzed 

by Cobalt-zirconium heterobimetallic 

complexes. W. Zhou, C. M. Thomas 

765. Synthesis and characterization of symmetrical 

and unsymmetrical imidoylamidines 

promoted by coordinatively unsaturated 

bis-nickel (II)-hydroxy complex. 

C. R. Guifarro Calona, J. P. Wikstrom, 

A. S. Filatov, E. V. Rybak-Akimova 

766. Bridging the world of chemistry and the 

world of electricity: Synthesis, characterization 

and redox properties of salan diolates 

of titanium(IV). M. Quiroz-Guzman, 

S. N. Brown 

767. Characterization of stability and protonation 

constants of novel bifunctional ligands 

for use in a copper sensor. 

J. C. Reddel, N. E. Bencivenga, 

J. Massing, R. Ding, W. R. Seitz, 

R. P. Planalp 

768. Aggregation studies of amyloid beta 

peptide in the presence of metal cations 

and metal binding-compounds. 

N. Hawco, L. M. Mirica 

769. Development and validation of a HPLC 

method for simultaneous determination 

of a nytrosil ruthenium complex and PpIX, 

used in association in PDT. A. R. Carollo, 

C. A. Carollo, R. S. da Silva, 

M. L. Bentley 

770. Enantioselective axial corrdination of 

�-amino acids in chiral zinc porphyrin assembly. 

H. Jintoku, S. Shimoda, 

T. Sagawa, M. Takafuji, H. Ihara 

Section F 


Hall C 


Synthesis 


7:00–9:00 

771. Dipyrrinato complexes of platinum(II). 

S. M. Matlosz, M. M. Olmstead, 

J. R. Stork 

772. Mixed metal/lithium metal-organic 

frameworks. P. J. Calderone, 

D. Banerjee, L. A. Borkowski, J. B. Parise 

773. Supramolecular nanotubes based on 

Ln(III) ions and tptz ligands: Gas sorption 

and single crystal X-ray studies of 

[Ln(tptz)(HCOO) 3]�2.5H 2O(Ln� Pr, Sm). 

N. Lopez, H. Zhao, D. Zhao, H. Zhou, 

K. R. Dunbar 

774. Ionothermal synthesis of divalent metal 

phosphonates. K. J. Gagnon, Z. J. Beal, 

A. Clearfield 

775. Synthesis, reactivity and characterization 

of polymetallic complexes. 

D. J. Xiao, A. R. Fout, T. A. Betley 

776. Precursor Pt-Co complexes for heterobimetallic 

nanoparticles catalysts. 

G. Suliman, H. N. Miras, R. G. Raptis 

777. Synthesis, characterization, and reactivity 

of tri-iron clusters. T. Agee, 

T. Betley 

778. Lanthanide clusters for structural and 

reduction studies. S. L. Dempsey, 

T. Hughbanks 

779. Design and synthesis of a transchelating 

phosphine ligand and its metal complexes. 

K. Ding,C.C.Lu 

Section G 


Hall C 



7:00–9:00 

780. Using force as a molecular ruler: Insights 

into substitutions at phosphorus. 

R. Boulatov, T. J. Kucharski, 

S. Akbulatov 

781. Sequential formation of the endohedral, 

substituted clusters: Pd@Sn 9SnCy 3 3- , 

Pd@Sn 9PdSnCy 3 3- . F. S. Kocak, 

P. Y. Zavalij, B. W. Eichhorn 

782. Reactions of [PCl 2N] 3 with electrophiles. 

Z. Tun, M. J. Panzner, 

D. A. Medvetz, B. D. Wright, L. Li, 

D. Savant, V. Scionti, C. Wesdemiotis, 

P. L. Rinaldi, W. J. Youngs, C. A. Tessier 

783. Investigation of the byproducts of the 

ring opening polymerization of [PNCl 2] 3. 

D. J. Bowers, J. Baughman, V. Scionti, 

M. J. Panzner, C. Wesdimiotis, M. Espe, 

W. J. Youngs, C. A. Tessier 

Section H 


Hall C 

Inorganic Spectroscopy 

S. Ronco, Organizer 

7:00–9:00 

784. Structural characterization of copper(II) 

binding to the high affinity site in alphasynuclein 

by electron paramagnetic resonance. 

E. E. Rodriguez,A.Binolfi, 

C. O. Fernandez, L. Quintanar 


786. Spectroscopic evaluation of copper (II) 

binding to alpha and beta-peptide fragments 

of the human prion protein. 

L. Rivillas-Acevedo, L. Blancas, 

J. E. García, E. Juaristi, L. Quintanar 

787. 93 Nb solid state NMR study of Dion-Jacobson 

type layered niobates XLaNb 2O 7 

(X�Cs, Rb, K, H). T. Liu,H.Yang, 

L. J. Smith 

788. Characterization of the HypA nickel trafficking 

protein from Helicobacter pylori. 

V. Martin-Diaconescu,M.J.Maroney 

789. Series of vibrational circular dichroism 

of �-SAPR-8-tetrakis((�)-heptafluorobutyrylcamphorato)lanthanide(III)complexes 

with an encapsulated cesium ion, 

Cs[Ln((�)-hfbc) 4]: Correlation with the 

ground state orbital parity. S. Kaizaki, 

D. Shirotani, K. Yamanari, H. Sato 

790. Colorimetric fluoride ion sensor based 

on ruthenium complex having hydroxyl 

groups. Y. Tsai,I.Chang 

Section I 


Hall C 

Organometallic Chemistry Applications to 

Organic Transformations 


7:00–9:00 

791. Synthesis of ruthenium quinone methide 

complexes. H. Yang, D. Morgan, 

C. Cai, W. Dai, R. D. Pike, W. C. Trenkle, 

D. A. Sweigart 

792. Ligand enabled oxidation of monoary- 

Pd II complexes with aqueous H 2O 2 to 

stable monoaryl Pd IV complexes and 

consecutive C-O reductive elimination 

studies. W. N. Oloo,A.N.Vedernikov 

793. Reactions of dicationic platinum(II) 

alkyne complexes with arenes. 

M. Miranda, C. Hahn 

794. Preferential binding of an iridium(III) porphyrin 

with methoxide and methanol in 

competition with hydroxide and water in 

aqueous solution. S. Bhagan, 

B. B. Wayland 

795. Simultaneous degenerate proton and 

methanol ligand exchange processes for 

[(TMP)Rh-OCH 3(CH 3OH)] in methanol/ 

benzene media. S. Sarkar,S.Li, 

B. B. Wayland 

796. Study of oxidatively-induced reductive 

elimination of carbon-halogen bonds 

from nickel. A. Higgs, M. Sanford 





Energy & Sustainability Sponsored by ANYL, 

Cosponsored by INOR 





Look Where the Crossroads Led Us 

Sponsored by ANYL, Cosponsored by INOR 

MEDI 

Division of Medicinal 

Chemistry 

J. Zablocki, Program Chair 


Social Hour, 7:00 PM: Sun 

Social Hour, 7:00 PM: Wed 


Section B 


Room 253A/B 

General Oral Session 

J. Zablocki, Organizer, Presiding 






consent from ACS.

8:30 1. 2-Aminothiazoles derivatives as potent 

�-secretase modulators. S. Cheng, 

D. Comer, L. Mao, D. Pleynet, C. Yu, 

M. Z. Kounnas, C. Tyree, A. D. Danks, 

S. L. Wagner, W. T. Comer 

8:50 2. New aminohydantoins as BACE1 inhibitors. 

M. S. Malamas, A. Robichaud, 

J. Erdei, D. Quagliato, W. Fobare, 

A. Porte, J. Kim, W. Solvibile, P. Zhou, 

R. McDevitt, K. Morris, S. Antane, 

J. Turner, E. Wagner, K. Fan, J. Bard, 

S. Jacobsen, P. Reinhart, M. Pangalos, 

D. Riddell 

9:10 3. New potent and selective PDE10A 

inhibitors for the treatment of schizophrenia. 

M. S. Malamas, Y. Ni, J. Erdei, 

K. Fan, N. Hoefgen, H. Stange, 

R. Schindler, C. Grunwald, U. Egerland, 

B. Langen, T. Hage, T. Kronbach, 

S. Grauer, B. Harrison, A. Robichaud, 

K. Marquis, T. Comery, J. Dunlop, 

M. Pangalos, N. Brandon 

9:30 4. Amino imidazoles as �-secretase inhibitors 

for treatment of Alzheimer’s disease. 

M. Brodney, K. Borzilleri, 

S. Capetta, L. Chenard, K. Coffman, 

P. Dorf, J. Dutra, I. Efremov, C. Helal, 

G. Kauffman, L. Lanyon, D. Liston, J. Liu, 

F. Nelson, C. Oborski, B. O’Neill, 

T. O’Sullivan, B. Sahagan, F. Vajdos, 

M. Wessel, J. Withka, T. N. O’Connell, 

H. Wang 

9:50 5. Development of TRPM8 selective 

antagonists for the treatment of inflammatory 

and neuropathic pain. 

H. Monenschein, Y. Bo, J. Clarine, 

C. Davis, H. Deng, V. Gore, D. Horne, 

M. Horner, M. Kaller, S. Lehto, V. Ma, 

K. Nagapudi, T. Nguyen, N. Nishimura, 

M. Norman, N. Tamayo, J. Treanor, 

Y. Wang, T. Wang, W. Wang, K. Wild, 

B. Youngblood, M. Zhang, W. Zhong, 

D. Zhu, N. Gavva 

10:10 6. Discovery of new high-affinity 

PDE10 inhibitors using fragment based 

lead generation and knowledge-based 

design. J. S. Albert, D. Aharony, 

T. Akerud, U. Bauer, N. Dekker, J. Forst, 

S. Geschwindner, C. Holmquist, 

P. Johansson, C. Scott, L. Spadola, 

N. Spear, G. Tian, X. Wang, D. Wilkins, 

M. Wood, E. Back, P. Hillertz, 

R. Horsefield, A. Tigerstrom 

10:30 7. Discovery of potent and orally bioavailable 

phthalazinone Bradykinin B1 receptor 

antagonists for chronic pain. 

K. Biswas, T. A. Peterkin, M. C. Bryan, 

L. Arik, S. G. Lehto, H. Sun, F. Hsieh, 

C. Xu, R. T. Fremeau, J. R. Allen 

10:50 8. Rational design, synthesis and 

structure-activity relationships of novel 

bicyclic azole-amines as negative allosteric 

modulators of Metabotropic Glutamate 

Receptor 5. D. F. Burdi, R. Hunt, 

L. Fan, T. Hu, J. Wang, Z. Guo, Z. Huang, 

C. Wu, L. Hardy, M. Detheux, 

M. A. Orsini, M. S. Quinton, R. Lew, 

K. Spear 

11:10 9. Activation of retinoic acid inducible 

gene (RIG-I) by nucleotide analogs: A potential 

novel mechanism for antiviral discovery. 

R. P. Iyer, J. E. Coughlin, 

S. Padmanabhan, B. Korba, S. Myong 

11:30 10. Discovery of the 1,7-diazacarbazole 

class of inhibitors of checkpoint kinase 

1. L. J. Gazzard 

11:50 11. Rapid discovery of a DP1 antagonist 

series with good developability characteristics. 

S. Peace, M. Foster, 

S. Campos, M. Crawford, G. Inglis, 

J. Pritchard, J. Redmond, D. Tape, 

A. Craven, I. Campbell, S. Keeling, 

R. Wheeler, Y. Solanke, L. Butterfield, 

C. Edwards, N. Lindsay 

12:10 12. Discovery and optimization of 

benzylphenoxyethyluracil to yield non-nucleoside 

inhibitors of HIV-1 reverse transcriptase 

using virtual screening and freeenergy 

calculations. V. V. Thakur, 

R. A. Domaoal, S. E. Nichols, 

K. S. Anderson, W. L. Jorgensen 

Section A 


Ballroom West 

60 Years of Chemical Research at the 

National Institute of Diabetes & Digestive & 

Kidney Diseases 

K. A. Jacobson, J. Hanover, Organizers, 

Presiding 

9:00 13. Medicinal chemistry in opioid research: 

Looking back. K. C. Rice 

9:45 14. Targeting O-GlcNAc cycling: Impact 

on the epigenetics of diabesity and 

immunity. J. A. Hanover 

10:20 15. Membrane trafficking complexes 

of the ESCRT pathway. J. H. Hurley 

10:55 16. G Protein-coupled receptor signaling 

pathways in pancreatic beta-cells. 

J. Wess 

11:30 17. New frontiers for selective agonists 

and antagonists of adenosine and 

P2Y receptors. K. A. Jacobson 






Section A 


Ballroom West 

First Time Disclosure of Clinical Candidate 

Financially supported by Lundbeck Research, 

USA 

A. J. Robichaud, Organizer, Presiding 

2:00 18. First disclosure of PF-03715455: 

An inhaled p38 inhibitor for the treatment 

of chronic obstructive pulmonary disease. 

D. Millan, M. Bunnage, K. Butcher, 

P. Dodd, T. Evans, D. Fairman, 

S. Hughes, I. Kilty, A. Lemaitre, 

R. Lewthwaite, J. Mathias, C. Phillips, 

R. Smith, M. Stefaniak, M. Yeadon 

2:30 19. Discovery of PSI-352938 and PSI- 

353661: Purine nucleotide prodrugs for 

the treatment of HCV. M. J. Sofia, 

D. Bao, W. Chang, B. Chun, J. Du, 

D. Nagarathnam, S. Rachakonda, 

P. G. Reddy, B. S. Ross, H. Zhang, 

S. Bansal, H. Bao, C. L. Espiritu, 

M. Keilman, A. M. Lam, E. Murakami, 

C. Niu, H. M. Steuer, T. Tolstykh, 

V. Zennou, P. A. Furman, M. J. Otto 

3:00 20. Discovery and early development 

of ALKS-33, an opioid modulator for 

treatment of reward disorders. 

&. Almarsson, D. R. Deaver, 

R. Z. Turncliff, M. Wentland, E. Ehrich 

3:30 21. Discovery of a new class of SGLT2 

inhibitors. V. Mascitti 

4:00 22. INS115644 (latrunculin B): A potential 

new treatment for glaucoma. 

P. S. Watson, W. Peterson, J. Vittitow, 

J. Lampe, J. She, L. Trevino, L. Richards, 

R. Krishnamoorthy 

Section B 


Room 253A/B 



2:00 23. Making agonists from antagonists: 

SAR106881, a breakthrough in FGFRs 

activation and a potential treatment to improve 

peripheral revascularization and reduce 

neuropathic pain. N. Guillo 

2:20 24. Using irreversibility to achieve enhanced 

potency and selectivity against 

the HCV protease. D. Niu, M. Hagel, 

L. Qiao, T. St. Martin, M. P. Sheets, 

Z. Zhu, M. T. Labenski, P. Chaturvedi, 

M. Nacht, W. F. Westlin, R. C. Petter, 

J. Singh 

2:40 25. Chemical biology of chromatin regulation: 

The first small molecule antagonists 

of MBT domains. J. Herold, 

T. J. Wigle, C. Gao, D. B. Kireev, 

W. P. Janzen, S. V. Frye 

3:00 26. PXR agonism and drug-drug interactions: 

Structure based design to eliminate 

PXR mediated CYP induction. 

J. Ramanjulu, L. Casillas, A. Charnley, 

M. DeMartino, X. Dong, P. Harris, 

J. Jeong, Y. Lan, A. Rahman, 

S. P. Williams, A. Lakdawala, L. Dare, 

S. Hoffman, M. Schaeffer, S. Kumar, 

R. Marquis 

3:20 27. Discovery of CRM1-mediated nuclear 

transport inhibitors as novel modulators 

of epigenetic enzymes. 

V. Sandanayaka, R. Nir, S. Shechter, 

M. Kauffman, S. Shacham 

3:40 28. Identification of the pharmacophore 

of 4EGI-1, an inhibitor of translation initiation 

with anti-cancer activity. 

E. Y. Kabha,Y.Wang,L.Chen, 

N. Zhang, R. Rodriguez, 

E. Papadopoulos, G. Wagner, 

B. H. Aktas, J. A. Halperin, M. Chorev 

4:00 29. High-affinity binding of small-molecules 

to the intrinsically disordered c-Myc 

oncoprotein. A. Viacava Follis, H. Wang, 

D. I. Hammoudeh, E. V. Prochownik, 

S. J. Metallo 

4:20 30. Design and synthesis of HDAC inhibitors 

for property based optimization. 

E. Choi,J.Park,J.Seo,G.Han 

4:40 31. Identification of the b-amyloid PET 

ligand candidate MK-3328. 

S. T. Harrison, J. C. Barrow, J. J. Cook, 

J. C. Culberson, H. Fan, G. D. Hartman, 

E. Hostetler, P. J. Miller, J. J. Mulhearn, 

S. S. O’Malley, C. Ryan, S. Sanabria, 

C. Sur, S. E. Wolkenberg, D. L. Williams, 

Z. Zeng 

5:00 32. Long-residence time kinase inhibitors: 

Binding kinetics in fragment-based 

design. G. Mueller, P. C. Sennhenn, 

L. Neumann 

5:20 33. Novel and efficient inhibitors of 

peptidyl-prolyl-cis/trans-isomerases Pin1 

and cyclophilin. M. Braun 


Theory and Methods Sponsored by COMP, 



Section A 


Hall C 

Poster Session and Social Hour 

J. Zablocki, Organizer 

7:00–9:00 

34. Spirocyclic sulfamides as �-secretase inhibitors 

for treatment of Alzheimer’s disease. 

M. Brodney, C. Ambroise, F. Bian, 

K. Borzilleri, H. Coffey, K. Coffman, 

C. Christoffersen, I. Efremov, 

E. Hajos-Korcsok, D. Hannah, C. Helal, 

G. Kauffman, L. Lanyon, D. Liston, J. Liu, 

Y. Lu, L. Martinez-Alsina, J. Murray, 

F. Nelson, S. Noell, C. Nolan, C. Oborski, 

B. O’Neill, K. Ogilvie, B. Sahagan, 

J. Tuttle, F. Vajdos, J. Withka 

35. Amyloid beta aggregates as intrinsic 

platforms for assembling a non-conjugated 

non-bioengineered FRET pair. 

C. Ran, A. Moore 

36. Curcumin analogs as “turn-on” fluorescent 

probes for a wide variety of amyloid 

beta species and in vivo imaging with 

transgenic mice. C. Ran, A. Moore 

37. Structure-activity relationship of dual target 

inhibitors of amyloid-beta self-assembly. 

A. Sood, A. Kulkarni, D. Borkin, 

S. Bag, S. Dasgupta, H. LeVine III, 

B. Torok, M. Torok 

38. Development of hydantoin spiropiperidines 

as potent BACE1 inhibitors. 

J. M. Wai, M. Egbertson, D. Perlow, 

C. Coburn, L. Neilson, S. Pitzenberger, 

G. McGaughey, D. Colussi, 

S. Haugabook, K. Tugusheva, J. Chang, 

C. Fandozzi, T. Allison, M. Dancho, 

M. Michener, D. Posavec, N. Pudvah, 

J. Vacca, S. Graham 

39. Evaluation of virtual screening methods 

towards the discovery of new functional 

transthyretin amyloid inhibitors. 

C. J. Simões, T. Mukherjee, 

R. M. Jackson, R. M. Brito 

40. Novel amides and ureas as �-secretase 

modulators. H. Zhou, C. Fischer, 

L. Surdi, S. Zultanski, P. Tempest, 

B. Hughes, R. Middleton, N. Smotrov, 

N. Bays, S. Shah, B. Munoz, 

M. Shearman 

41. Novel iminopyrimidinone �-secretase 

(BACE) inhibitors: P1-thiophenes. 

J. D. Scott, S. W. Li, E. J. Gilbert, 

C. Huang, J. Cumming, U. Iserloh, 

R. D. Mazzola, S. Babu, J. Caldwell, 

X. Chen, K. Cox, M. Czarniecki, J. Durkin, 

L. Favreau, T. Gu, W. J. Greenlee, 

R. Hodgson, Y. Huang, L. Hyde, Q. Jiang, 

M. Kennedy, R. Kuvelkar, G. Li, 

V. Madison, B. McKittrick, M. W. Miller, 

P. Orth, J. Pan, E. Parker, P. Pasetto, 

A. W. Stamford, C. Strickland, Z. Sun, 

D. Tadesse, J. Voight, L. Wang, 

B. Werner, J. Wong, Y. Wu, L. Zhang, 

Q. Zhang, Z. Zhu 

42. Tetracyclic sulfones as gamma secretase 

inhibitors. T. K. Sasikumar 

43. Novel inhibitors of AHCY for the treatment 

of Alzheimer’s disease. 

T. J. Hartingh, A. Converso, M. E. Fraley, 

E. J. Brnardic, R. M. Garbaccio, 

G. D. Hartman, S. Y. Huang, E. S. Tasber, 

S. D. Young, L. H. Gold, J. M. Majercak, 

A. McCampbell, S. Na, W. J. Ray, 

M. J. Savage, Y. Yu, C. Fandozzi, 

R. White, S. Yeh, S. M. Galloway, 

J. G. DeLuca, V. Reddy, K. Holloway, 

T. Allison, S. Munshi, K. Rickert 

44. Design and synthesis of neuroprotective 

NO chimeras with GABA A potentiating 

activity as Alzheimer’s disease therapeutics. 

Z. Qin, J. Luo, L. VandeVrede, 


45. Common antibiotics used in the treatment 

of gram negative infectious diseases. 

S. S. Mantravadi 

46. Evidence for the production of novel 

macrocyclic antibiotics from the marine 

bacterium Pseudovibrio denitrificans. 

M. I. Vizcaino, P. J. Morris, P. D. Moeller 

47. Design and synthesis of dual CDK2 and 

CDK7 inhibitors. E. Meschini, 

J. A. Endicott, B. T. Golding, 

I. R. Hardcastle, D. R. Newell, 

M. E. Noble, L. Wang, R. J. Griffin 

48. Synthesis of novel carboxypeptidase ligands 

for tumor imaging. 

C. Kuechenthal, W. Maison 

49. Synthesis and anticancer activity of fatty 

acid derivatives of cytarabine. 

B. S. Chhikara, D. Mandal, k. Parang 

50. Application of in silico design and highthroughput 

chemistry platform in the lead 

optimization of selective and potent mutant-B-RAF 

inhibitors. C. J. Brassard, 

J. Lapierre, R. Nicewonger, J. Ring, 

K. Bresciano, T. Hall, J. Szwaya, C. Chen, 

D. France, M. A. Ashwell 

51. Discovery and optimization of a potent 

and selective triazolopyridinone series of 

c-Met inhibitors. C. M. Bode, 

A. A. Boezio, B. K. Albrecht, S. F. Bellon, 

M. Broome, D. Choquette, M. Lin, K. Rex, 

J. Harmange 

52. Discovery of water soluble N,2-dimethyl- 

N-substituted phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amines 

as antimitotic 

agents that circumvent taxol 

resistance. A. Gangjee, Y. Zhao, 

S. Mooberry 

53. Discovery of substituted pyrrolo[2,3d]pyrimidines 

as water soluble antitubulin 

antitumor agents. A. Gangjee, L. Lin, 

S. L. Mooberry, E. Hamel 





MEDI 

TECH–73

MEDI TECHNICAL PROGRAM 

54. Novel tumor-targeting anticancer drug 

conjugate bearing a taxoid and a topotecan. 

E. S. Zuniga,I.Ojima 


novel carbocycle-containing combretastatin 

A-4 analogs. R. Fürst, 

C. Nowikow, A. Berenyi, G. F. Ecker, 

W. Schmid, I. Zupko, U. Rinner 

56. Design of potent guanase inhibitors 

based on azepinomycin skeleton. 

S. Chakraborty, R. Hosmane 

57. Blocking the nuclear translocation of signal 

transducer and activator of transcription 

3 (STAT3) protein via membrane anchorage. 

M. Avadisian, S. Fletcher, 

B. Liu, W. Xu, P. Yue, A. D. Schimmer, 

J. Turkson, C. Gradinaru, P. T. Gunning* 

58. Development of PET and SPECT radiotracers 

for the imaging of cancers overexpressing 

the ErbB family of growth factor 

receptors. E. B. Corcoran, H. T. Pham, 

R. N. Hanson 

59. Development of a second-generation antiandrogen 

for treatment of castration-resistant 

prostate cancer (CRPC). D. Yoo, 

S. Ouk, C. Chen, C. Tran, J. Wongvipat, 

C. L. Sawyers, M. E. Jung 

60. Targeting the interaction of mixed lineage 

leukemia 1 (MLL1) and wd repeat 

domain 5 (WDR5) for new anticancer drug 

design. H. Karatas, E. Townsend, 

D. Bernard, Y. Dou, S. Wang 

61. Rational design and evaluation of small 

molecule DNA ligase inhibitors as potential 

cancer chemotherapeutics. 

G. E. Greco,X.Chen,L.A.Tobin, 

R. A. Lapidus, M. Sadowska, A. J. Yang, 

N. N. Nemieboka, A. D. MacKerell, 

S. Zhong, F. V. Rassool, A. E. Tomkinson 

62. Design, synthesis and evaluation of 

dibenzo[c,h][1,6]naphthyridines as Top1 

inhibitors and potential anticancer 

agents. E. Kiselev, T. Dexhemier, 

Y. Pommier, M. Cushman 

63. Design and synthesis of ezrin inhibitors 

for metastatic osteosarcoma. 

G. W. Kosturko, G. Bulut, V. Rodriguez, 

E. Glasgow, S. Hong, C. Khanna, 

M. Brown, M. Paige, A. Üren 

64. Small molecule prostate specific membrane 

antigen inhibitors with Re/Tc for 

the diagnosis and staging of prostate 

cancer. G. Lu, K. P. Maresca, 

S. M. Hillier, J. C. Marquis, 

C. N. Zimmerman, W. C. Eckelman, 

J. L. Joyal, J. W. Babich 

65. Structure-based design, synthesis, and 

evaluation of a new class of potent Bcl-2/ 

Bcl-X L inhibitors. H. Zhou, J. Chen, 

A. Aguilar, X. Cong, L. Liu, L. Bai, 

D. McEachern, C. Yang, H. Yi, 

J. Meagher, J. A. Stuckey, X. Li, D. Sun, 

S. Wang 

66. Novel VEGFR2 inhibitors: Pyridylmethylthio 

derivatives with intramolecular nonbonded 

S-O interaction. H. Tajima, 

T. Honda, K. Kawashima, Y. Sasabuchi, 

M. Yamamoto, M. Ban, K. Okamoto, 

K. Inoue, T. Inaba, Y. Takeno, H. Aono, 

T. Tsuboi, A. Tonouchi 


Smac mimetics as selective cIAP-1 and 

cIAP-2 inhibitors. H. Sun, J. Lu, L. Liu, 

C. Yang, H. Yi, S. Wang 

68. DNA methyltransferase inhibitors: Molecular 

modeling and virtual screening. 

J. L. Medina-Franco, N. Singh, 

F. Lopez-Vallejo, D. Kuck, F. Lyko, 

A. Dueñas-Gonzalez, G. Sbardella 

69. Apoptosis triggers targeting selectively 

resistant tumours. E. Genoux, 

D. Lorendeau, H. Cortay, A. Di Pietro, 

A. Boumendjel 

70. 2-Aryl-benzimidazole-4-carboxamides 

as novel SIRT1 activators. J. S. Disch, 

C. B. Vu, L. McPherson, P. Ng, 

J. E. Bemis, D. P. Carney, A. V. Lynch, 

C. Loh, S. Ribich, P. Romero, J. J. Smith, 

J. Song, D. J. Gagne, A. Cote, M. Davis, 

E. Lainez, R. B. Perni 

74–TECH 


71. Synthesis and SAR of tricyclic isoquinoline 

derivatives as HCV NS3 protease inhibitors. 

J. Chen, L. Sun, F. Yu, G. Zhai, 

D. Hernandez, A. K. Sheaffer, J. Friborg, 

D. Barry, H. Mulherin, M. S. Lee, 

F. McPhee, J. O. Knipe, K. Mosure, 

N. A. Meanwell, P. M. Scola 

72. In vitro and in vivo biological annotation 

of a novel B-RAF inhibitor amenable for 

clinical evaluation against B-RAF(V600E)harboring 

human tumors. J. Lapierre, 

C. Chen, Y. Liu, J. Szwaya, E. Chiesa, 

C. Bull, E. Chang, C. Waghorne, J. Mao, 

D. Lowe, K. Nguyen, E. Volckova, 

Y. Wang, T. Hall, R. Savage, D. France, 

M. A. Ashwell 

73. Design and synthesis of simplified paclitaxel 

analogs based on the T-taxol bioactive 

conformation. J. Zhao,S.Bane, 

K. Mukherjee, J. P. Snyder, H. Hu, 

D. G. Kingston 

74. Discovery of novel 2,4,6-trisubstituted 

pyrimidine and pyridine based SIRT1 activators. 

K. J. Koppetsch, C. J. Oalmann, 

B. Szczepankiewicz, C. B. Vu, 

G. Gualtieri, R. L. Casaubon, J. S. Disch, 

A. V. Lynch, J. Song, D. J. Gagne, 

A. Cote, M. Davis, E. Lainez, R. B. Perni 

75. Discovery of a new class of selective 

Chk1 “diazacarbazoles”. J. Drobnick, 

B. Appleton, L. Axford, M. Beresini, 

B. Burton, H. Chen, D. Clark, K. Clark, 

P. Crackett, C. Ellwood, E. Gancia, 

A. Ganguli, M. Gill, J. Goldstein, 

S. Goodacre, J. Hewitt, D. Hurst, S. Kintz, 

P. Lockey, J. Lyssikatos, S. Major, 

C. McLeod, D. McNair, G. Medard, 

R. Narukulla, R. Newman, S. Sideris, 

C. Weismann, H. Hunt, K. Williams, 

S. Malek, L. Gazzard 

76. Phthalazinone pyrazoles as potent, selective 

and orally bio-available inhibitors 

of Aurora-A kinase. M. Prime, 

F. Brookfield, S. Courtney, G. Georges, 

B. Goller, A. Limberg, R. Marston, 

P. Rueger, M. Rueth, W. von der Saal 

77. Synthesis of novel osteogenic oxysterol 

activators of the Hedgehog signaling 

pathway. M. Epperson,W.Xiao, 

F. Stappenbeck, F. Farouz 

78. Putative exosite targeting for optimization 

of 4EGI-1, a PPI inhibitor and a potent 

anti-cancer agent. K. Takrouri, 

Y. Wang, L. Chen, N. Zhang, B. H. Aktas, 

G. Wagner, J. A. Halperin, M. Chorev 

79. Structure-based computational design of 

selective, small molecule PRMT5 inhibitors 

for experimental therapeutics of cancer: 

Protein modeling, virtual screening 

and lead validation. K. V. Mahasenan, 

F. Yan, R. Baiocchi, C. Li 

80. In vitro and in vivo studies on the effectiveness 

of free drug and nanoparticle encapsulated 

silver carbene complexes on 

H460 lung cancer. M. C. Deblock, 

N. Robishaw, A. Knapp, M. J. Panzner, 

A. Gupta, W. J. Youngs 

81. Design, synthesis, and pharmacological 

evaluation of multireceptor modulating 

agents as potential atypical antipsychotics. 

K. Peprah, S. V. Eyunni, 

J. R. Etukala, V. Setola, B. L. Roth, 

S. Y. Abblodeppey 

82. Selective small molecules targeting 

G-protein interactions to combat cancer 

metastasis. M. J. Koyack, 

R. V. Rajnarayanan 

83. Synthetic strategies for developing multivalent 

nitric oxide donors. 

R. S. Nandurdikar,S.Y.Hong, 

O. A. Oladeinde, A. E. Maciag, 

J. E. Saavedra, L. K. Keefer 

84. Synthesis of carbon-11-labeled casimiroin 

analogs as new potential PET agents 

for imaging of quinone reductase 2 and 

aromatase expression in cancer. 

M. Wang, M. Gao, G. D. Hutchins, 

Q. Zheng 

85. Property based optimization of lactam 

based histone deacetylase (HDAC) inhibitors. 

M. Cho, D. Song 

86. Discovery of potent imidazo[1,2-a]pyrazine 

Aurora kinase inhibitors. 

D. B. Belanger, P. J. Curran, A. Hruza, 

J. Voigt, Z. Meng, A. K. Mandal, 

M. A. Siddiqui, A. D. Basso, K. Gray 

87. Design, synthesis and biological evaluation 

of pemetrexed(PMX) homologs for 

folate receptor targeting multiple enzyme 

antifolates. A. Gangjee, Y. Wang, 

S. K. Desmoulin, C. Cherian, 

L. H. Matherly, R. L. Kisliuk 

88. Design, synthesis, and testing of orthoamido 

diphenylamines as inhibitors of 

MEK5. P. T. Flaherty, I. Chopra, 

A. Diwan, D. A. Monlish, J. E. Cavanaugh 

89. 2-Desamino and 2-methyl-6-substituted 

pyrrolo[2,3-d]pyrimidine classical antifolates 

as selective folate receptor substrates, 

glycinamide ribonucleotide 

formyltransferase inhibitors and antitumor 

agents. A. Gangjee, S. Zhao, C. Cherian, 

S. K. Desmoulin, L. H. Matherly, 

R. L. Kisliuk 

90. Synthesis and SAR of diaminopyrimidines 

as c-Met inhibitors. 

L. R. Weinberg, M. S. Albom, 

T. S. Angeles, J. L. Diebold, J. Husten, 

J. G. Lisko, K. L. Milkiewicz, S. Murthy, 

G. R. Ott, B. A. Ruggeri, J. P. Theroff, 

T. L. Underiner, B. D. Dorsey 

91. Identification of potential proteins targets 

of quercetin inhibition of HSP-70 induction 

with a biotin-quercetin photoaffinity 

agent. R. E. Wang, C. R. Hunt, J. Taylor 

92. Development of polyamides as gene inhibitors 

of heat shock protein 70 expression. 

R. E. Wang, R. Pandita, C. R. Hunt, 

J. Taylor 

93. Rational design of disubstituted triazole 

conjugated acridines with high selectivity 

for the human parallel telomeric quadruplex. 

S. Sparapani,S.M.Haider, 

F. Doria, M. Gunaratnam, S. Neidle 

94. Synthesis and characterization of rigidified 

4EGI-1 mimetics that block proteinprotein 

interaction, inhibit translation initiation, 

and have anticancer activity. 

R. Yefidoff-Freedman,Y.Wang, 

L. Chen, N. Zhang, B. H. Aktas, 


95. Novel fluorescently labeled omega-3 

fatty acid-taxiod conjugates. 

W. T. Berger, E. Zuniga, J. D. Seitz, 

L. V. Kuznetsova, I. Ojima 

96. Discovery of TAK-700, a naphthylmethylimidazole 

derivative, as a highly selective, 

orally active 17, 20 lyase inhibitor for 

prostate cancer. T. Kaku, T. Hitaka, 

A. Ojida, N. Matsunaga, N. Terauchi, 

F. Itoh, T. Tanaka, T. Hara, M. Yamaoka, 

M. Kusaka, T. Okuda, S. Asahi, S. Furuya, 

A. Tasaka 

97. Structural requirements of histone 

deacetylase (HDAC) inhibitors: Suberoyl 

anilide hydroxamic acid (SAHA) analogs 

modified at the C3 position. S. Choi, 

S. V. Weerasinghe, M. H. Pflum 

98. Antagonism of the Bak–Bcl-xL complex 

by �-helix mimetics of varying curvatures. 

S. Fletcher 

99. Anticancer properties of gold(I)-N-heterocyclic 

carbene complexes and their 

silver(I) precursors. T. J. Siciliano, 

M. C. Deblock, K. M. Hindi, S. Durmus, 

M. J. Panzner, C. A. Tessier, 

W. J. Youngs 

100. Development of small molecule protein 

lysine methyltransferase G9a inhibitors. 

J. M. Yost, F. Liu, X. Chen, 

A. Allali-Hassani, A. M. Quinn, T. J. Wigle, 

D. Barsyte, G. A. Wasney, A. Dong, 

I. Kozieradzki, G. Senisterra, I. Chau, 

A. Siarheyeva, A. Van Deusen, 

D. B. Kireev, A. Jadhav, J. M. Herold, 

S. V. Frye, C. H. Arrowsmith, 

W. P. Janzen, P. J. Brown, A. Simeonov, 

M. Vedadi, J. Jin 

101. From isothiazole to thiophene and thiazole: 

A bioisosteric approach to the discovery 

of potent imidazo[1,2-a]pyrazines 

as Aurora kinase inhibitors. Z. Meng, 

B. A. Kulkarni, A. D. Kerekes, J. Voigt, 

A. K. Mandal, S. J. Esposite, 

D. B. Belanger, P. P. Reddy, A. D. Basso, 

K. Gray, S. Tevar, J. Jones, E. Smith, 

M. A. Siddiqui, R. Doll 

102. SAR of various Aurora selective chemotypes. 

Z. Ji, Y. Dai, D. H. Albert, 

J. J. Bouska, K. B. Glaser, 

T. J. Magoc, k. D. Stewart, P. Tapang, 

R. Wei, M. Michaelides 

103. Development of oxazolidinone and oxazolobenzimidazole 

positive allosteric 

modulators for the treatment of Schizophrenia. 

E. J. Brnardic, R. M. Garbaccio, 

M. E. Fraley, M. E. Layton, G. D. Hartman, 

M. A. Jacobson, B. C. Magliaro, 

S. L. Huszar, P. H. Hutson, J. A. O’Brien, 

J. M. Uslaner, K. L. Fillgrove, C. Tang, 

Y. Kuo, S. M. Sur 

104. 2-Substituted benzimidazoles as 

metabotropic glutamate receptor-2 positive 

allosteric modulators: A hit to lead 

evaluation. C. Chen, U. Topiwala, 

H. Jimenez, H. Chen, M. Uberti, K. Jones, 

S. Topiol, M. Marzabadi, D. Doller 

105. Structure activity relationship studies of 

4-((((3S,6S)-6-benzhydryltetrahydro-2Hpyran-3-yl)amino)methyl)phenol 

and its 

analogs: Development of novel triple uptake 

inhibitors as new generation antidepressants. 

B. Gopishetty, S. Santra, 

S. Ali, M. Reith, a. dutta 

106. Probing S1� site of caspase-3: A new 

hope for mechanism based treatment of 

neurological disorders. A. K. Sharma 

107. SAR evaluation of fused heterocyclic 

quinolone carboxylic acid M1 positive allosteric 

modulators. C. N. Di Marco, 

V. Cofre, W. J. Ray, L. Ma, M. Wittmann, 

M. A. Seager, K. A. Koeplinger, 

C. D. Thompson, G. D. Hartman, 

M. T. Bilodeau, S. D. Kuduk 

108. New aryl sulfonamides compounds as 

potent and selective 5-ht 6 receptor ligands. 

A. Shinde, V. Reballi, 

V. Tiriveedhi, P. Gudla, L. Kota, 

A. Chindhe, N. Rambabu, 

R. Kambhampati, R. Nirogi 

109. Structure-activity relationships of 2,4diphenyl-1H-imidazole 

analogs as CB2 

receptor agonists for the treatment of 

chronic pain. S. Yang, J. Smotryski, 

J. Matasi, G. Ho, D. Tulshian, 

W. J. Greenlee, R. Brusa, M. Beltramo, 

K. Cox 

110. High affinity ligands for opioid receptors 

in the picomolar K i range: N-(2-[1,1�-biphenyl]-4-ylethyl) 

analogs of 8-CAC. 

J. M. Bidlack, D. J. Cohen, 

J. M. Gargano, X. Jia, S. Jo, 

M. A. VanAlstine, M. P. Wentland 

111. Novel series of CB2 selective antagonists 

for the treatment of autoimmune 

disorders: Synthesis, functional evaluation 

and ligand-steered modeling. 

S. S. Phatak, R. R. Petrov, 

F. Astruc-Diaz, C. N. Cavasotto,P.Diaz 

112. 7-Hydroxy-benzopyran-4-one derivatives: 

Discovery and structure-activity relationships 

of PPAR � and -� (PPAR� and 

�) dual agonists. N. Gavande, A. Matin, 

M. S. Kim, N. K. Salam, J. R. Hanrahan, 

R. H. Roubin, D. E. Hibbs 

113. Synthesis and structure-activity relationships 

of 3-aminopyridazine derivatives 

of �-aminobutyric acid acting as 

GABA C (�) antagonists. N. Gavande, 

G. A. Johnston, J. R. Hanrahan, 

M. Chebib 

114. Design, synthesis and pharmacological 

evaluation of fluorescent GABA C probes 

for receptor visualization and localization 

studies. N. Gavande, G. A. Johnston, 

J. R. Hanrahan, M. Chebib 

115. Design, synthesis, and pharmacological 

evaluation of novel, selective �-aminobutyric 

acid � (GABA C) receptor antagonists. 

N. Gavande, K. Mewett, 

G. A. Johnston, J. R. Hanrahan, 

M. Chebib 

116. Hepatitis C protease inhibitors based 

on 2(1H)-pyrazinones. J. Gising, 

A. Belfrage,P.Örtqvist, M. Larhed, 

U. Danielson, A. Sandström 






consent from ACS.

117. Synthesis and SAR studies on novel 

heteroaryl fused tetracyclic indole-diamide 

compounds: Potent allosteric inhibitors 

of the hepatitis C virus NS5B polymerase 

enzyme. M. Ding,F.He, 

X. Zheng, T. W. Hudyma, M. A. Poss, 

J. F. Kadow, K. L. Rigat, Y. Wang, 

R. Fridell, D. Qiu, M. Liu, S. Boss, M. Gao, 

S. B. Roberts, R. G. Gentles 


the selective inverse agonist PWZ-029 for 

alpha 5 Bzr/GABA aergic receptor subtypes: 

This ligand enhances cognition in 

rhesus monkeys. S. K. Rallapalli, 

C. Moran, J. K. Rowlett, J. M. Cook 

119. Highly potent inhibitors of HCV NS3 

protease. B. Venables, N. Sin, A. Wang, 

L. Sun, D. Hernandez, A. Sheaffer, 

M. Lee, D. Barry, J. Friborg, F. Yu, 

J. Knipe, J. Sandquist, A. C. Good, 

F. Mcphee, N. A. Meanwell, P. M. Scola 

120. Design and synthesis of deuterated boceprevir 

analogs with enhanced pharmacokinetic 

properties. A. J. Morgan, 

C. E. Masse, S. Nguyen, V. Uttamsingh, 

R. Tung, S. Harbeson 

121. Rational design, virtual screening, synthesis 

and biological activity of donepezil-based 

new acetylcholinesterase inhibitors. 

S. Datta, D. Borkin, A. Rudnitskaya, 

M. Torok, B. Torok 

122. Application of small heterocyclic P3 

caps in HCV NS3 protease inhibitors. 

N. Sin, B. L. Venables, L. Sun, 

A. X. Wang, S. Sit, Y. Chen, J. Chen, 

Y. Han, A. C. Good, J. Friborg, D. Barry, 

F. Yu, D. Hernandez, A. Sheaffer, 

J. Knipe, F. McPhee, N. A. Meanwell, 

P. M. Scola 

123. Cyclic phosphate prodrugs of 2�deoxy-2�-fluoro-2�-C-methyl 

nucleoside 

analogs as inhibitors of HCV NS5B polymerase. 

P. Reddy, D. Bao, W. Chang, 

B. Chun, J. Du, D. Nagarathnam, 

S. Rachakonda, B. S. Ross, H. Zhang, 

S. Bansal, C. L. Espiritu, M. Keilman, 

A. M. Lam, C. Niu, H. M. Steuer, 

P. A. Furman, M. J. Otto, M. J. Sofia 

124. Discovery of PSI-353661: A novel purine 

nucleotide prodrug with improved in 

vitro potency for the treatment of HCV infection. 

W. Chang, D. Bao, B. Chun, 

D. Nagarathnam, S. Rachakonda, 

P. Reddy, B. S. Ross, H. Zhang, 

S. Bansal, C. L. Espiritu, M. Keilman, 

A. M. Lam, C. Niu, H. M. Steuer, 

P. A. Furman, M. J. Otto, M. J. Sofia 

125. Synthesis of novel, fluorinated P1 NS3 

protease inhibitors of HCV. Y. Chen, 

S. Sit, J. Chen, L. Sun, S. V. D’Andrea, 

Z. Zheng, A. X. Wang, S. Hiebert, 

M. Bowsher, A. Cocuzza, Q. Zhao, 

D. Bilder, N. Sin, B. L. Venables, 

D. Carini, B. Johnson, E. Mull, 

D. Hernandez, A. K. Sheaffer, 

H. Mulherin, F. Yu, J. O. Knipe, 

K. Mosure, A. C. Good, R. Rajamani, 

H. Klei, J. Friborg, V. Arora, Y. Shu, 

X. Huang, L. Levesque, D. Li, J. Zhu, 

S. Adam, F. McPhee, N. Meanwell, 

P. M. Scola 

126. Synthesis and SAR studies on highly 

potent, novel, N,1-C2- phenyl-bridged 

2-phenyl-indole-6-carboxamide based 

hepatitis C virus NS5B inhibitors. 

X. Zheng, T. W. Hudyma, M. Ding, F. He, 

M. A. Poss, J. F. Kadow, 

C. Chang, c. wan, M. R. Witmer, P. Morin, 

D. M. Camac, S. Sheriff, B. R. Beno, 

K. Rigat, Y. Wang, R. Fridell, J. Lemm, 

D. Qiu, P. Liu, S. Voss, S. B. Roberts, 

M. Gao, J. Knipe, R. G. Gentles 

127. Isoquinoline tripeptides as HCV NS3 

protease inhibitors. Z. B. Zheng, 

A. X. Wang, D. Carini, A. Cocuzza, 

S. Hiebert, M. Bowsher, Y. Chen, S. Sit, 

L. Sun, F. Mcphee, J. Friborg, D. Barry, 

F. Yu, D. Hernandez, J. Knipe, 

R. Rajaman, H. Klei, A. Ng, B. Ma, 

Q. Gao, N. A. Meanwell, P. M. Scola, 

S. D’Andrea 

128. SAR and mode of binding studies on a 

series of N-benzyl-4-heteroaryl-1-(phenylsulfonyl)piperazine-2-carboxamides: 

Potent inhibitors of the polymerase enzyme 

(NS5B) of the hepatitis C virus. 

R. G. Gentles, M. Ding, X. Zheng, 

L. Chupak, M. A. Poss, C. Chang, 

C. Wan, M. R. Witmer, P. Morin, 

D. M. Camac, S. Sheriff, B. R. Beno, 

K. Rigat, S. B. Roberts, M. Gao, 

J. F. Kadow, J. Lemm, S. Voss, M. Liu, 

L. Pelosi, Y. Wang 

129. Development of novel carbohydrate 

binding agents: A new class of potent antiviral 

therapeutics. P. C. Trippier, 

J. Balzarini, C. McGuigan 

130. Synthesis and HIV-1 integrase inhibitory 

activity of C2-C-linked heterocyclic-5-hydroxy-6-oxo-dihydropyrimidine-4-carboxamides. 

B. Naidu, M. E. Sorenson, 

M. Patel, Y. Ueda, J. Banville, 

F. Beaulieu, S. Bollini, I. Dicker, H. Higley, 

Z. Lin, L. Pajor, D. D. Parker, B. Terry, 

M. Zheng, A. Martel, N. A. Meanwell, 

M. Krystal, M. A. Walker 

131. Design, synthesis and HIV-1 integrase 

inhibitory activity associated with spirocycle-fused5-hydroxy-6-oxo-dihydropyrimidine-4-carboxamides. 

B. Naidu, 

M. E. Sorenson, J. D. Matiskella, Y. Ueda, 

S. Bollini, I. Dicker, H. Higley, Z. Lin, 

D. Wu, L. Pajor, D. D. Parker, B. Terry, 

M. Zheng, N. A. Meanwell, M. Krystal, 

M. A. Walker 

132. Synthesis and evaluation of novel phosphoramidates 

of acyclic nucleosides in 

the bypass of the first phosphorylation 

step mediated by the thymidine kinase. 

D. Carta, C. McGuigan, C. Vanpouille, 

L. Margolis, J. Balzarini 

133. Study of C2-N-linked heterocyclic pyrimidin-6-oxa-5-hydroxy-4-carboxamide 

derivatives as HIV integrase inhibitors. 

M. Sorenson, B. Naidu, J. Matiskella, 

T. Connolly, Y. Ueda, N. Meanwell, 

S. Bollini, H. Samanta, B. Terry, Z. Lin, 

I. Dicker, D. Parker, L. Pajor, M. Zheng, 

M. Krystal, M. Walker 

134. Design, synthesis and SAR study of 

novel spiro aza-pyrimidinone HIV integrase 

inhibitors. c. li, M. A. Walker, 

Y. Ueda, J. Matiskella, Z. Lin, I. Dicker, 

H. Samanta, B. Terry, H. Higley, S. Bollini, 

M. Krystal, N. A. Meanwell 

135. Discovery and preclinical evaluation of 

the HIV integrase inhibitor BMS-727740. 

M. A. Walker, J. Banville, B. Naidu, 

M. Sorenson, R. Remillard, A. Martel, 

Y. Ueda, T. Connolly, J. Weiss, C. Li, 

A. Trehan, H. Wong, Z. Lin, I. Dicker, 

H. Samanta, B. Terry, H. Scarnati, 

C. Deminie, S. Bollini, M. Zheng, 

A. Chimalakonda, L. Pajor, T. Philip, 

D. Parker, M. Krystal, N. A. Meanwell 

136. Towards the synthesis of novel boronates 

as potential HIV-1 protease inhibitors. 

J. L. Nye, D. R. Clayton, 

M. S. McCammant, L. Fabry-Asztalos 

137. Novel spirocyclobutyl- and spirocyclooxetanyl-pyrimidin-6-oxa-5-hydroxy- 

4-carboxybenzylamides as potent HIV-1 

integrase inhibitors. T. P. Connolly, 

I. Dicker, M. Krystal, Z. Lin, J. Matiskella, 

N. A. Meanwell, B. Naidu, L. Pajor, 

M. Sorenson, B. Terry, Y. Ueda, 

M. A. Walker, M. Zheng 

138. Design, synthesis and structure-activity 

relationships of novel dicamphanoyl- 

2�,2�-dimethyldihydropyranochromone 

(DCP) analogs as potent anti-HIV agents. 

T. Zhou, C. Chen, Q. Shi, L. Huang, 

P. Ho, K. Lee 

139. HIV-1 protease inhibitors with a tertiaryalcohol-containing 

transition-state mimic 

and various P2/P1� substituents. 

P. Öhrngren, X. Wu, J. K. Ekegren, 

T. Unge, &. Rosenquist, B. Samuelsson, 

M. Larhed 

140. Design and synthesis of novel isatin derivatives 

as potent anti-HIV agents. 

R. K. Singh, G. Kumari, M. Yadav 

141. Small molecules to target Mycobacterium 

tuberculosis 1-Deoxy-D-xylulose-5phosphate 

reducto-isomerase (MtbDxr). 

E. R. Jackson, K. Kehn-Hall, 

F. Kashanchi, H. I. Boshoff, C. S. Dowd 

142. Synthesis and in silico studies of altered 

DNA substrates as HIV RT inhibitors. 

M. Yadav, G. Kumari, R. K. Singh 

143. Synthesis of new antimalarial bi-drug 

molecules. A. Jonet, 

A. Dassonville-Klimpt, P. Sonnet 

144. Motualevic acid analogs: Synthesis, antimicrobial 

activity, and structure�activity 

relationship (SAR) studies. P. Cheruku, 

J. L. Keffer, C. A. Bewley 

145. New bicyclic peptidomimetic inhibitors 

of secreted aspartic proteinase 2 (SAP2) 

for the treatment of drug-resistant Candida 

albicans infections. A. Trabocchi, 

C. Calugi, A. Cassone, R. Cauda, 

A. Guarna 

146. Quinolonimines as novel antimalarial 

leads. T. Rodrigues, J. Gut, 

P. J. Rosenthal, R. Moreira, R. Guedes, 

D. Santos, F. Lopes 

147. Discovery and development of the covalent 

hydrates of trifluoromethylated 

pyrazoles as riboflavin synthase inhibitors 

with antitubercular activity. A. Talukdar, 

A. Bacher, B. Illarionov, M. Fischer, 

S. G. Franzblau, B. Wan, M. Cushman 

148. Hybrid compounds targeting both liver 

and blood stages of malaria parasites. 

F. Lopes, R. Capela, R. Moreira, 

P. J. Rosenthal, J. Gut, G. Cabal, 

M. Prudêncio, M. Mota 

149. Synthesis and antiviral activity of a second 

generation of measles virus RNA-dependent 

RNA polymerase activity inhibitors. 

J. M. Ndungu, S. A. Krumm, A. Sun, 

R. K. Plemper, J. P. Snyder 

150. Design and synthesis of a sixteen million 

member DNA-encoded library (DEL) 

and discovery of potent Mycobacterium 

tuberculosis (Mtb) InhA inhibitors. 

C. P. Davie, P. A. Centrella, 

G. K. O’Donovan, G. Evindar, H. O’Keefe, 

A. M. Patel, M. A. Clark 

151. Cell-based optimization of imidazolopiperazines 

as new antimalarials. T. Wu, 

A. Nagle, K. Kuhen, K. Henson, 

R. Borboa, C. Francek, Z. Chen, 

D. Plouffe, J. Chang, C. Li, T. Tuntland, 

J. Isbell, M. Rottmann, E. Winzeler, 

R. Glynne, D. C. Tully, A. K. Chatterjee 

152. Modeling trypanosomal TOR kinase domains: 

Implications for the design of antiparasitic 

drugs. Z. Wang, C. E. Hubbard, 

M. Ondrechen, M. P. Pollastri 

153. High-speed synthesis of 3,6-disubstituted 

pyrazolo[1,5-a]pyrimidines applied 

to bone morphogenetic protein signaling 

inhibitors. J. Liu,G.D.Cuny,P.B.Yu, 

X. Xing, K. D. Bloch, R. T. Peterson 

154. Total synthesis of YM-181741 for the 

preparation of natural product-like 

STAT3:STAT3 inhibitors. A. Misale, 

D. Antonow, D. E. Thurston, G. Zinzalla 

155. Tetrapodal Stat3 inhibitors offer potent 

disruption of Stat3 in vitro and in whole 

cell assays. B. D. Page, A. Schimmer, 

J. Turkson, P. T. Gunning 

156. NO-NSAIDs: Nitric oxide-releasing prodrugs 

of non-steroidal anti-inflammatory 

drugs with gastric-sparing properties. 

K. V. Nemmani, N. Borhade, A. R. Pathan, 

S. V. Mali, M. Karwa, S. S. P., 

V. Pamidiboina, M. Gund, 

N. J. Deshmukh, P. Gaikwad, A. K. Jain, 

J. J. Deshattiwar, S. Halder, D. C. Desai, 

J. Mudgal, M. Dhiman, A. U. Burhan, 

A. Sharma, N. P. Dubash, N. K. Mangu, 

M. Dutta, G. Thakre, S. Goud, 

D. Pacharne, L. Babu, S. Deshpande, 

V. Nadar, S. Sharma, A. Satyam 

157. Inhibition of CuZnSOD by low MW natural 

products. J. S. Summers, 

M. E. Arrington, M. R. Yost, J. Markley, 

E. Parris, B. Hickman, J. Schmitt 

158. Thiobenzimidazole-1-acetic acids as 

CRTH2 antagonists. J. Pothier, 

A. Fecher, M. Gude, K. Hilpert, 

M. A. Riederer, X. Leroy, O. Peter, 

H. Kletzl, C. Gnerre, R. Bravo, 

S. Delahaye, L. Piali, F. Sylvie, H. Fretz 

159. Development of SH2 domain proteomimetics 

as potent disruptors of oncogenic 

Stat3:Stat3 dimerization. J. A. Drewry, 

P. T. Gunning 

160. 1,3,6-substituted-4-aminopyrazolopyrimidines, 

new potent inhibitors for phopholipase 

D. J. Baffoe, A. M. Kulkarni, 

V. Curry, B. Török, K. Stieglitz 

161. Development of potent and selective 

MMP inhibitors with a triazole zinc binding 

group. J. Haas,A.M.Fryer, 

S. W. Andrews, L. Huang, J. A. Josey, 

S. Kragerud, Y. Marsh, J. P. Rizzi, 

F. Sullivan 

162. Reduction of hERG activity in (4,5,6,7tetrahydro-1H-indazolyl)ethanamines, 

a 

novel series of potent and selective S1P1 

selective agonists. N. Aguilar, 

M. Carrascal, M. Erra, S. Fonquerna, 

L. Taboada, J. Alonso, B. Vidal, 

N. Godessart, G. Tarrasón, T. Domenech, 

C. Armengol, M. Córdoba, M. Sabaté, 

D. Casals, M. Domínguez 

163. Structure-activity relationship studies of 

sphingosine kinase inhibitors. M. R. Raje, 

Y. Kharel, K. R. Lynch, W. L. Santos 

164. Amido-1,3,4-thiadiazole derivatives as 

novel S1P1 selective agonists: From an 

HTS hit to a sub-nanomolar, orally active 

advanced lead. N. Aguilar, M. Mir, 

P. Grima, M. López, N. Godessart, 

G. Tarrasón, T. Domenech, D. Vilella, 

C. Armengol, M. Córdoba, M. Sabaté, 

D. Casals, M. Domínguez 

165. Structure-based design of potent, conformationally 

constrained, cell-permeable 

STAT3 inhibitors. J. Chen,L.Bai, 

Y. Zhao, D. Bernard, 

Z. Nikolovska-Coleska, C. Gomez, 

J. Zhang, H. Yi, S. Wang 

166. Structure and activity relationships of 

tartrate-based TACE inhibitors. D. Li, 

J. V. Popovici-Muller, D. B. Belanger, 

J. Caldwell, C. Dai, M. David, 

V. M. Girijavallabhan, Z. Guo, 

J. A. Kozlowski, B. J. Lavey, D. J. Lundell, 

J. F. Lee, Z. Liu, R. Mazzola, 

B. McKittrick, X. Niu, P. Orth, V. Madison, 

J. Piwinski, R. Rizvi, K. E. Rosner, 

B. Shankar, N. Shih, G. W. Shipps, 

M. Siddiqui, J. Spitler, C. O. Strickland, 

J. Sun, P. C. Ting, S. Chen, H. Vaccaro, 

W. Yu, G. Zhou, Z. Zhu 

167. New nNOS PDZ domain ligands and 

their biological evaluation. 

A. M. Perez-Lopez, 

J. M. Cardenas-Maestre, 

R. Salto-Gonzalez, M. Giron-Gonzalez, 

J. Martinez-Lopez, T. de la Rubia-Nieto, 

J. F. Dominguez-Seglar, 

R. Sanchez-Martin, J. A. Gomez-Vidal 

168. Synthesis of a series of nonpeptidic 

thiochromanone-based thiosemicarbazone 

analogs as inhibitors of cathepsin L. 

J. Song, L. M. Jones, 

K. Gaddale Devanna, E. S. Conner, 

G. E. Chavarria, A. K. Charlton-Sevcik, 

M. L. Trawick, B. G. Siim, D. J. Chaplin, 

K. G. Pinney 

169. Thiosemicarbazone derivatives of functionalized 

tetralone, indanone, chromanone, 

and 2,3-dihydroquinolinone 

scaffolds as inhibitors of cathepsins L 

and B. L. M. Jones,J.Song, 

A. L. Johansen, A. K. Jantz, 

G. E. Chavarria, A. K. Charlton-Sevcik, 

M. Trawick, B. G. Siim, D. J. Chaplin, 

K. G. Pinney 

170. Rigidified 2-aminopyrimidines as histamine 

H 4 receptor antagonists: Effects of 

substitution about the rigidifying ring. 

J. R. Koenig, H. Liu, I. Drizin, D. G. Witte, 

T. L. Carr, A. M. Manelli, I. Milicic, 

M. I. Strakhova, T. R. Miller, 

T. A. Esbenshade, J. D. Brioni, M. Cowart 

171. Design and synthesis of 3-alkylsulfonylmethylcyclohexylaminobenzamide-derived 

inhibitors of CC chemokine receptor 

2 (CCR2). M. G. Yang,D.G.Batt, 

R. J. Cherney, S. Mandlekar, M. Cvijic, 

Q. Zhao, J. C. Barrish, P. H. Carter 





MEDI 

TECH–75


172. Synthesis and development of multimeric 

molecules to mimic the pro-apoptotic 

ligand TRAIL, a member of the TNF 

superfamily. M. Lechner, J. Beyrath, 

V. Pavet, C. Pardin, A. Morizot, 

M. Wendland, W. Maison, O. Micheau, 

H. Gronemeyer, S. Fournel, G. Guichard 

173. Utilizing a pharmacophore model for 

the development of potent small molecule 

inhibitors of STAT3 function. 

V. M. Shahani, S. Fletcher, P. Yue, 

D. P. Luu, S. Sharmeen, A. D. Schimmer, 

J. Turkson, P. T. Gunning* 

174. Design and synthesis of substituted 

6-arylquinazolin-4-amines as potent and 

selective inhibitors of members of the 

CLK and DYRK kinase families. 

A. S. Rosenthal, C. Tanega, M. Shen, 

B. T. Mott, D. S. Auld, J. Inglese, 

C. P. Austin, D. J. Maloney, C. J. Thomas 

175. Design, synthesis and structure-activity 

relationships of potent B-RAF inhibitors. 

N. Namdev, J. Lapierre, Y. Liu, H. Wu, 

C. Brassard, N. Westlund, M. Tandon, 

J. Link, D. Kizer, R. Nicewonger, 

K. Bresciano, T. Hall, J. Szwaya, C. Chen, 

D. France, M. A. Ashwell 

176. Discovery of pyrazol-3-yl and thiazol- 

2-yl amino pyrazines as novel JAK2 inhibitors. 

L. Almeida, S. Ioannidis, 

M. L. Lamb, A. M. Davies, M. Su, 

B. Peng, H. Guan, G. Bebernitz, M. Ye, 

K. Bell, M. Alimzhanov, M. Zinda 

177. Utilization of 1,3,5-triazine as a pyrimidine 

surrogate for the evaluation of PDK1 

inhibitors. M. Bobko, K. Evans, J. Axten, 

J. Medina, L. Shuster, C. Blackledge, 

S. Grant, A. Shu, C. Becker, 

S. Rabindran, C. Gardiner, H. Xiang 

178. Design, synthesis and biological evaluation 

of novel quinoxaline derivatives as 

PI3K inhibitors. P. Wu, Y. Su, L. Zhang, 

S. Y. Wen, J. C. Xu, B. Yang, Q. J. He, 

Y. Z. Hu 

179. Structure-based discovery and optimization 

of a novel protein kinase B (AKT) 

inhibitor. F. Lopez-Vallejo, 

A. Hernandez-Campos, 

I. Velazquez-Martinez, R. Castillo, Y. Yu, 

N. Singh, M. Giulianotti, 

J. Medina-Franco 

180. Design and synthesis of a novel, potent, 

and selective class of type II p38 inhibitors. 

D. V. Nguyen, R. Shetty, 

N. Jayasuriya, E. L. Michelotti, 

F. Machrouhi, J. Gaboury, W. Evans, 

H. V. Namboodiri, M. Bukhtiyarova, 

S. Mardirosian, M. Guo, T. Fujimoto 

181. Development of a gene family targeted 

workflow for the identification of inhibitors 

of kinase targets. P. D. Kane, 

J. A. Foster, R. J. Foster, J. Swanson, 

M. S. Lawless 

182. Novel approaches to CDK2 modulation: 

Hit identification, characterization, and 

optimization. Y. Deng, G. W. Shipps, 

P. J. Curran, L. Zhao, M. A. Siddiqui, 

J. Popovici-Muller, J. S. Duca, 

A. W. Hruza, T. O. Fischmann, 

V. S. Madison, R. Zhang, 

C. W. McNemar, T. W. Mayhood, 

E. M. Lees, D. A. Parry, W. T. Windsor 

183. Design, synthesis and in vitro characterization 

of phosphate pro-drugs of mutant-B-RAF 

inhibitors. Y. Liu, J. Lapierre, 

M. Tandon, N. Namdev, H. Wu, 

C. Brassard, E. Volckova, J. Szwaya, 

C. Chen, D. France, M. A. Ashwell 

184. Design and synthesis of 4-subtituted 

thiazoles as AKT inhibitors. X. Wang, 

Q. Zeng, M. Bourbeau, M. Lee, G. Yao, 

S. Tadesse, F. Hong, C. Yuan, X. Huang, 

B. Han, E. Wohlhieter, J. Allen, S. Zhang, 

J. Lofgren, X. Zhang, D. Freeman, 

J. Bready, C. Davis, C. Fotsch, 

R. Hungate, R. Kendall 

185. Design and synthesis of novel heterocyclic 

scaffolds as protein kinase inhibitor. 

L. Wei, S. V. Malhotra 

76–TECH 


186. Discovery of orally bioavailable Aurora 

kinase inhibitors. D. B. Belanger, 

M. J. Williams, Z. Meng, T. Yu, 

A. K. Mandal, P. J. Curran, M. P. Rainka, 

N. Shih, M. A. Siddiqui, A. D. Basso, 

D. Prelusky, M. Liu, S. Lee, B. Yaremko, 

K. Gray, S. Tevar, J. Jones, E. B. Smith 

187. Discovery of pyrrolo[2,1-f][1,2,4]triazine 

C6-ketones as potent, orally active p38� 

MAP kinase inhibitors. A. J. Dyckman, 

T. Li, G. Schieven, S. Pitt, R. Zhang, 

D. Shen, M. McKinnon, K. McIntyre, 

K. Gillooly, D. Shuster, A. Doweyko, 

J. Sack, H. Zhang, P. Marathe, J. Barrish, 

J. Dodd, K. Leftheris 

188. Discovery of 2-aminophenyl quinazolines 

as potent and selective PDK1 inhibitors. 

X. Lin, M. Aikawa, P. Amiri, 

S. Basham, J. Chan, R. Jain, S. Lin, 

T. Machajewsky, W. McCrea, 

D. Menezes, J. Murray, S. Ng, K. Pfister, 

A. C. Rico, S. Ramurthy, W. Shu, 

S. Subramanian, J. Sutton, 

E. Venetsanakos, M. X. Wang, B. Warne, 

Y. Xu, R. Zang, Y. Zhou 

189. SAR of a new series of Stearoyl-CoA 

desaturase inhibitors. J. Leclerc, 

C. Chan, J. Falgueyret, J. Guay, S. Guiral, 

Z. Huang, N. Lachance, C. Li, R. Oballa, 

Y. K. Ramtohul, L. Zhang 

190. Synthesis of pyrazolospiroketone ACC 

inhibitors. C. Limberakis, S. Bader, 

L. M. Buzon, S. B. Coffey, B. G. Conway, 

J. W. Corbett, K. D. Freeman-Cook, 

K. E. Henegar, C. S. Jones, K. L. Nelson, 

W. Song, J. D. Weaver, Z. Zhao, 

D. P. Phillion 

191. Discovery of a potent small molecule inhibitor 

of IGF-1R. D. Frennesson, 

M. Wittman, M. Saulnier, J. Carboni, 

R. Attar, P. Balimane, C. Chang, C. Chen, 

L. Discenza, M. Gottardis, A. Greer, 

W. Hurlburt, W. Johnson, D. Langley, 

F. Lee, A. Li, P. Liu, H. Mastalerz, 

A. Mathur, K. Menard, K. Patel, J. Sack, 

X. Sang, S. Traeger, G. Trainor, 

U. Velaparthi, Z. Yang, G. Zhang, 

K. Zimmermann, D. Vyas 

192. Novel dual agonists of the GPR40 and 

PPAR� receptors. E. Marsault, 

H. Tremblay, F. Chagnon, A. Beauregard, 

A. Émond, P. Boulais, M. Langlois, 

R. Leduc 

193. Novel cambinol analogs as sirtuin inhibitors: 

Synthesis, biological evaluation and 

rationalisation of activity. F. Medda, 

L. Pirrie, S. Poupart, R. J. Russell, 

M. Higgins, A. R. McCarthy, J. Campbell, 

A. M. Slawin, D. P. Lane, S. Lain, 

N. J. Westwood 

194. Metabolism-guided design of amino alcohol 

acids as orally active, short-acting 

calcium-sensing receptor antagonists. 

G. Balan, Y. Zhang,J.N.Bauman, 

T. A. Brown, G. Fate, D. R. Healy, 

M. Herr, P. Humphries, A. S. Kalgutkar, 

B. Kapinos, M. Li, T. S. Maurer, C. Neagu, 

R. Oliver, V. M. Paralkar, D. A. Price, 

K. A. Riccardi, J. Sagal, J. A. Southers, 

S. Spath, I. A. Stock 

195. Synthesis of possible calcimimetic derivatives 

from enantiopure primary 

amines. S. Espinosa-Diaz, J. L. Alvarez, 

K. M. Santiago 

196. Discovery of TAK-875: A potent, selective, 

and orally bioavailable GPR40 agonist. 

N. Negoro, S. Sasaki, S. Mikami, 

M. Ito, M. Suzuki, Y. Tsujihata, R. Ito, 

A. Harada, K. Takeuchi, N. Suzuki, 

J. Miyazaki, T. Santou, N. Kanzaki, 

S. Satou, T. Odani, J. Sakamoto, 

M. Funami, T. Tanaka, A. Kogame, 

S. Matsunaga, T. Yasuma, Y. Momose 

197. Investigation of functionally liver selective 

glucokinase activators. 

H. F. Schuster,L.C.Kirman, 

G. R. Bebernitz, M. S. Grondine, 

A. Duttaroy, S. L. Caplan, P. M. Taslimi, 

B. A. Dale, J. Gao, R. Deacon, 

V. Beaulieu, W. M. Maniara, T. Stams, 

B. Vash, R. C. Gupta, S. Munshi, 

S. S. Nadkarni 

198. Glucokinase activators with improved 

physicochemical properties and off target 

effects. L. C. Kirman, H. F. Schuster, 

M. S. Grondine, G. R. Bebernitz, 

S. L. Caplan, A. Duttaroy, P. M. Taslimi, 

B. A. Dale, J. Gao, J. Liang, V. Beaulieu, 

R. Deacon 

199. Investigation of chiral sulfoxide GPR119 

agonists for type 2 diabetes. 

G. E. Peckham 

200. Rearrangement of the SSTR5 agonist 

L-817,818 under physiological conditions 

affords an alternate SSTR5 agonist that 

elevates plasma glucose excursion during 

OGTT. M. Reiter, J. Terebetski, 

D. Shen, B. Murphy, J. L. Duffy 


novel (4-piperidinyl)-piperazine class as 

acetyl-CoA carboxylase 1/2 non-selective 

inhibitors. T. Chonan, D. Wakasugi, 

D. Yamamoto, M. Yashiro, T. Oi, 

H. Tanaka, A. Ohoka-Sugita, F. Io, 

H. Koretsune, A. Hiratate 

202. Discovery of O-spiroketal C-arylglucosides 

as novel and selective sodiumdependent 

glucose cotransporter 2 

(SGLT2) inhibitor for the treatment of type 

2 diabetes. T. Sato, T. Kobayashi, 

M. Nishimoto, N. Taka, Y. Ohtake, 

K. Takano, K. Yamamoto, M. Ohmori, 

M. Yamaguchi, K. Takami, S. Yeu, 

K. Ahn, H. Matsuoka, M. Suzuki, 

H. Hagita, K. Ozawa, K. Yamaguchi, 

M. Kato, S. Ikeda 

203. Synthesis and evaluation of a series of 

piperazinylpyridines as GPR119 agonists. 

Y. Wu, J. D. Kuntz, A. Carpenter 

204. Structure-based Virtual Screening for 

the discovery of potential P2Y14 receptor 

ligands. F. Deflorian, A. Szabo, 

K. A. Jacobson 

205. Exploring structural scaffolds as a strategy 

to design selective ligands. 

A. B. Yongye, Y. Li, M. A. Giulianotti, 

Y. Yu, R. A. Houghten, A. Nefzi, 

L. Chaker, K. Martinez-Mayorga 

206. Optimization of phenylmethylene hydantoins 

as prostate cancer migration inhibitors: 

SAR-directed design, synthesis, 

and pharmacophore modeling. M. Mudit, 

K. A. El Sayed 

207. Art of crystallization and application of 

single crystal X-ray diffraction to support 

solid-state characterization of pharmaceuticals. 

N. Tsou, A. Mckeown, R. Ball, 

M. McNevin, C. Maguire, A. Chen, A. Bak 

208. Estrogen receptor antagonist-functionalized 

gold nanoparticles for breast cancer 

drug delivery and imaging systems. 

K. D. Dao, R. N. Hanson, R. Sawant, 

V. Torchilin 

209. Bipolar biphenyl proteomimetics as estrogen 

receptor � and androgen receptor 

coactivator binding inhibitors. 

P. T. Weiser, A. B. Williams, 

R. N. Hanson 

210. Identification of a novel series of [2.2.1]oxabicyclo 

lactam-based androgen receptor 

antagonists. J. F. Austin, 

L. S. Sharma, A. J. Balog, W. Shan, 

A. J. Nation, D. S. Nirschl, A. V. Miller III, 

G. D. Vite, C. A. Rizzo, M. Gottardis, 

J. Dell-John, L. Zhang, R. Attar, 

L. Schweizer, M. T. Obermeier, 

M. N. Jure-Kunkel, T. E. Spires, 

A. V. Gavai 

211. Development and application of the 

pharmacophore model of pregnane X receptor. 

J. Ramanjulu, A. S. Lakdawala, 

S. Williams, R. Marquis 

212. Synthesis and evaluation of fluorinated 

�1-adrenoreceptor selective ligands. 

H. S. Radeke, A. Purohit, T. D. Harris, 

K. Hanson, M. Broekema, C. Hu, 

R. Jones, M. Azure, M. Cdebaca, 

P. Yalamanchili, M. Kavosi, M. Yu, 

M. Guaraldi, J. McDonald, M. Kagan, 

S. Robinson, D. Casebier 

213. Tetra-aryl cyclobutanes as direct inhibitors 

of the nuclear receptor/coactivator 

interaction. A. A. Parent, J. R. Gunther, 

J. A. Katzenellenbogen 

214. Identification of allosteric potentiators 

of the prostaglandin receptor EP2. 

T. Ganesh,J.Jiang,Y.Du,R.Shaw, 

P. Thepchatri, R. Dingledine 

215. Design, synthesis, and evaluation of 

isoquinoline urea derivatives of A-425619 

as TRPV1 antagonists. N. A. Gujarati, 

B. J. Undem, V. L. Korlipara 

216. Conformationally constrained analogs 

of BAY 59-3074, a CB1 cannabinoid receptor 

partial agonist. H. Teng, 

G. Thakur, A. Makriyannis 

217. Arylguanidines as analgesic adjuvants: 

Graphics modeling studies. G. S. Alley, 

P. D. Mosier, M. Dukat 

218. Novel peptidyl boronic acid based inhibitors 

of PSA. M. B. Kostova, 

D. M. Rosen, S. R. Denmead 

219. Amino aryl sulfonamides as novel and 

potent 5-ht 6 receptor ligands. R. Nirogi, 

R. Kambhampati, T. Bandyala, J. Konda, 

S. Arepalli, V. Reballi, P. Kothmirkar, 

N. Pamuleti, A. Shinde 

220. Strategy for conjugation of “clickable” 

agonists of the A 3 adenosine receptor to 

polyamidoamine (PAMAM) dendrimers. 

D. K. Tosh,L.S.Yoo,M.Chinn,Z.Gao, 


221. Structure-activity relationship of (N)methanocarba 

phosphonate analogs of 

5�-AMP as cardioprotective agents acting 

through a cardiac P2X receptor. 

S. Thatikonda, S. Zhou, B. V. Joshi, 

R. Balasubramanian, T. Yang, B. T. Liang, 


222. Chemical enhancement for skin drug 

delivery using gemini surfactants. 

S. Silva, J. Sousa, A. Pais, 

B. Michniak-Kohn 

223. Development of small molecular weight 

non-aminoglucosides for compound-induced 

readthrough of premature termination 

codons caused by nonsense mutations. 

J. Ku, L. Du, R. Damoiseaux, 

H. Hu, C. Bertoni, R. A. Gatti, M. E. Jung 

224. Characterizations of diastereoisomers 

of polyamine analogs with oxime functionalites. 

H. Shin, E. Rawls, 

H. Whitehead, J. Lee, S. Kim 

225. Development and evaluation of a novel 

radiogallium labeled peptide as a bone 

imaging agent for PET. K. Ogawa, 

K. Takai, T. Kiwada, Y. Kitamura, 

K. Shiba, A. Odani 

226. Fluorescence-labeled celecoxib derivatives 

as novel pharmacological tools. 

A. P. Lill, S. Schiffmann, S. Groesch, 

E. Proschak, H. Stark 

227. Design and optimization of a potent series 

of eIF4E inhibitors. D. Kopecky, 

X. Chen, J. Mihalic, J. Heath, J. Deignan, 

F. Kayser, S. Jeffries, Z. Wang, 

S. Johnstone, X. Min, M. Cardozo, 

S. Shen, M. Lo 

228. Discovery of a pyrimidinone-based antagonist 

of calcium sensing receptor. 

J. Ramanjulu, L. Casillas, A. Charnley, 

M. DeMartino, X. Dong, P. Harris, 

J. Jeong, Y. Lan, A. Rahman, L. Dare, 

M. Schaeffer, S. Hoffman, S. Kumar, 

R. Marquis 

229. Dimeric modulators of ENaC for the 

treatment of cystic fibrosis. U. Baettig, 

R. Butler, N. Smith, E. Stanley, P. Oakley, 

S. Collingwood, H. Danahay, K. Coote, 

H. Atherton, D. Paisley, R. Lock 

230. Conformationally constrained peptides 

as the Src SH3 domain binding ligands. 

R. Tiwari, A. Brown, S. Narramaneni, 

G. Sun, K. Parang 

231. Discovery of novel 4-oxo-2-thioxo-7quinazoline 

carboxamides and derivatives 

as prolyl hydroxylase inhibitors. 

M. J. Schulz,G.L.Adams, 

J. A. Brackley, H. Yu, J. M. Ghergurovich, 

R. M. Sanchez, J. Qu, G. Burton, Y. Wang 






consent from ACS.

232. Bisphosphonate analogs of geranyl and 

farnesyl pyrophosphate as potential inhibitors 

of prenyl synthases. 

M. A. Maalouf, B. M. Wasko, R. J. Hohl, 

D. F. Wiemer 

233. Design and synthesis of folate conjugates 

of Rapamycin and Everolimus. 

I. R. Vlahov, P. J. Kleindl, 

H. R. Santhapuram, J. F. Vaughn, 

S. J. Han, F. You, Y. Wang, C. P. Leamon 

234. Discovery of TAK-438: Synthesis and 

biological evaluation of novel pyrrole derivatives 

as potassium-competitive acid 

blockers (P-CABs). Y. Arikawa, 

H. Nishida, A. Hasuoka, O. Kurasawa, 

K. Hirase, N. Inatomi, Y. Hori, 

J. Matsukawa, N. Tarui, A. Imanishi, 

M. Kondo, Y. N. Imai, M. Kajino 

235. Series of non-covalent inhibitors of the 

human 20S Proteasome derived from 

N-�-neopentyl asparagine with unprecedented 

potency and selectivity. 

C. Blackburn, C. Barrett, N. Bump, 

F. Bruzzese, L. Dick, P. Fleming, 

K. Garcia, K. Gigstad, P. Hales, 

L. Herman, M. Jones, J. Liu, D. Sappal, 

M. Sintchak, C. Tsu, J. Blank 

236. Total synthesis of racemic and natural 

glyceollin II. A. Luniwal, P. W. Erhardt 

237. Genomics guided medicinal chemistry. 

E. Beausoleil, T. Taverne, 

C. Chauvignac, B. Leblond, D. Pallares, 

M. Brenner, M. Pando 

238. De-convolution of medicinal citrus 

products. S. Li,N.E.Rawson,C.Ho 

239. Utilization of DNA-encoded libraries for 

the identification of novel inhibitors of 

prolyl hydroxylases. D. T. Fosbenner, 

B. W. King, K. K. Brown, P. Keller, 

K. McKenzie, B. Siegfried, L. Mitchell, 

A. Smallwood, N. Concha, L. Miller, 

Y. Xue, G. J. Franklin, P. A. Centrella, 

J. Svendsen, S. Mataruse, M. A. Clark 

240. Oxyphors R3 and G3 — new phosphorescent 

probes for tissue oxygen measurements: 


T. V. Esipova, S. A. Vinogradov 

241. Synthesis of rosmarinic acid analogs. 

G. A. Kraus, G. R. Pollock III 

242. Overexpression, isolation, and oral delivery 

of the appetite suppressant peptide 

PYY. C. H. Fazen,R.P.Doyle 

243. Using haptocorrin and intrinsic factor as 

oral delivery agents. D. Valentin, 

R. P. Doyle 

244. Benzo[d]imidazole/indole inhibitors of 

coactivator associated arginine methyltransferase 

1 (CARM1). H. Wan, 

T. Huynh, S. Pang, J. Geng, T. Bandiera, 

S. Bindi, P. Vianello, F. Roletto, 

S. Thieffine, A. Galvani, W. Vaccaro, 

M. A. Poss, G. L. Trainor, M. V. Lorenzi, 

M. Gottardis, L. Jayaraman, 

A. V. Purandare 


Section A 


Ballroom West 

G-Quadruplexes as Targets for Drug 

Discovery and Development 

L. Hurley, D. Yang, Organizers, Presiding 

8:30 245. Quadruplex nucleic acids as functional 

elements and therapeutic targets. 

S. Balasubramanian 

9:10 246. Overview of G-quadruplexes, their 

biological role, and G-quadruplex structures. 

D. Yang 

9:50 247. Structure-based design and evaluation 

of small molecules with selectivity 

for telomeric quadruplex nucleic acids. 

M. Gunaratnam, S. Hempel, G. Collie, 

S. Sparapani, N. Campbell, G. Parkinson, 

M. de la Fuente, A. Schatzlein, S. Neidle 

10:30 248. Drug targeting of the c-Myc 

G-quadruplex and associated proteins to 

inhibit gene transcription. L. H. Hurley 

Section B 


Room 253A/B 

Effects of Free Drug on In Vivo Efficacy 

J. Butera, Organizer 

L. Di, E. Kerns, Organizers, Presiding 

8:30 249. Free fraction, free drug concentration 

and in vitro to in vivo extrapolation-no 

common consensus on a common 

problem. D. A. Smith 

9:05 250. Considerations of protein binding 

in CNS drug design. X. Liu,C.E.Hop 

9:40 251. Determinants of drug disposition 

in tumors. J. M. Gallo 

10:15 252. Managing plasma protein binding. 

G. L. Trainor 

10:50 253. Changes in protein binding: 

When can they be clinically relevant? 

L. Z. Benet 



BMGT, Cosponsored by CPCD, MEDI, and 

NESACS 




PHYS 






Section A 


Ballroom West 

Recent Developments in Investigational 

Therapies for HCV 

A. Palani, A. Arasappan, A. Stamford, 

W. Kazmierski, Organizers, Presiding 

2:00 254. Discovery of telaprevir. A. Grillot 

2:30 255. Novel noncovalent inhibitors of 

the HCV serine protease. P. J. Edwards, 

M. D. Bailey, P. K. Bhardwaj, M. Bös, 

M. G. Cordingley, P. Forgione, 

N. Goudreau, C. Lemke, P. W. White, 

M. Llinàs-Brunet 

3:00 256. Discovery of potent HCV inhibitors 

targeting the NS5A protein. M. Belema, 

V. N. Nguyen, J. L. Romine, 

D. R. St. Laurent, M. H. Serrano-Wu, 

L. B. Snyder, M. S. Deshpande, 

R. A. Fridell, D. R. O’Boyle II, J. A. Lemm, 

J. E. Leet, J. O. Knipe, D. R. Langley, 

R. E. Nettles, C. Chien, R. J. Colonno, 

D. M. Grasela, N. A. Meanwell, 

L. G. Hamann, M. Gao 

3:30 257. HCV NS4A antagonists. 

A. Phadke, X. Wang, D. Chen, 

V. Gadhachanda, A. Hashimoto, 

M. Deshpande, M. Huang 

4:00 258. Benzofuran inhibitors of HCV 

NS5b polymerase: An in-depth look at 

SAR and pre-clinical characteristics that 

let to the advancement of HCV-796 into 

human clinical studies. A. K. Saha 

4:30 259. Discovery and development of 2�- 

F-2�-C-methyl nucleosides and nucleotides 

for the treatment of HCV. 

M. J. Sofia 

Section B 


Room 253A/B 

Drugging the Undruggable: Small Molecule 

Modulators of Protein-Protein Interactions 

D. Hertzog, E. Velthuisen, Organizers, 

Presiding 

2:00 260. Principles of protein-protein interactions: 

What is the preferred way for 

proteins to interact? R. Nussinov 

2:30 261. Synthesis and evaluation of libraries 

designed to modulate protein-protein 

and protein-DNA interactions. 

D. L. Boger 

3:00 262. Protein-protein interaction inhibitors 

of transcription factors and kinases. 

T. Berg 

3:30 263. Drugging the undruggable using 

stapled peptides. G. L. Verdine 

4:00 264. Small molecule inhibitors of protein-protein 

interactions: Targeting Bcl-2 

family proteins to treat cancer. 

S. W. Elmore 


BMGT, Cosponsored by CPCD, MEDI, and 

NESACS 

The Chemistry of Epigenetic Regulation 

Sponsored by BIOL, Cosponsored by MEDI 






Medicinal Chemistry Sponsored by CHED, 

Cosponsored by MEDI and SOCED 




and MEDI 



Cosponsored by BIOL,MEDI, and PROF 


Section A 


Hall C 

Sci-Mix 


8:00–10:00 

37, 39, 41, 42, 48, 60, 64, 65, 67, 68, 72, 75, 

76, 77, 78, 91, 93, 96, 98, 116, 117, 118, 

119, 120, 121, 122, 123, 124, 129, 130, 

131, 135, 153, 195, 208, 209, 220, 221, 


484. See subsequent listings. 


Section B 


Room 253A/B 

MEDI Awards Symposium 

L. Hurley, J. Mc Carthy, Organizers 

P. Woster, Presiding 

8:00 265. JANUVIA® and beyond: Selective 

dipeptidyl peptidase IV inhibitors for the 

treatment of type 2 diabetes. A. E. Weber 

8:40 266. Bioorganic studies on recognition 

of soluble amyloid oligomers using small 

molecules. N. W. Smith, S. V. Dzyuba 

8:55 267. Application of aminoglycoside-Nacetyltransferases 

in the development of 

novel N-acylated aminoglycoside antibiotics. 

J. L. Houghton, 

S. Garneau-Tsodikova, M. Fridman, 

K. Green, W. Chen 

9:10 268. Designing attenuated Michael acceptors 

as experimental redox chemotherapeutics 

targeting skin cancer. 

C. M. Cabello, G. T. Wondrak 

9:25 269. Small molecule glycosaminoglycan 

mimics. A. M. Fenner,R.J.Kerns 

9:40 270. Discovery of a pharmacophore for 

inhibition of poly(ADP-ribose) glycohydrolase. 

J. D. Steffen, L. Steffen, 

D. Coyle, M. K. Jacobson 

9:55 271. Exploring Alphanapthoflavone 

heterotropic allosteric regulation of Cytochrome 

P450 3A4. C. M. Woods, 

W. M. Atkins, C. Fernandez 

10:10 272. Rational design of Tubastatin A: 

An immunosuppressant HDAC6 inhibitor 

with unprecedented selectivity. K. Butler, 

J. Kalin, C. Brochier, B. Langley, 

W. Hancock, G. Vistoli, A. Kozikowski 

10:25 273. Evaluation of a direct procaspase 

activating compound in pet 

dogs with lymphoma. Q. P. Peterson, 

D. C. West, D. C. Hsu, T. M. Fan, 

P. J. Hergenrother 

10:40 274. Heterocyclization in cyanobactin 

biosynthesis. J. A. McIntosh 

10:55 275. Discovery of novel BACE1 inhibitors 

for the treatment of Alzheimer’s disease. 

A. W. Stamford 

Section A 


Ballroom West 

Process Chemistry: The Role of Organic 

Synthesis in Early Clinical Drug 

Development Cosponsored by ORGN ‡ 

A. Abdel-Magid, Organizer 

R. A. Singer, Organizer, Presiding 


8:35 276. Development of a scalable process 

for p38 inhibitor VX-702. S. Roeper 

9:15 277. Continuing process development 

for existing HIV/AIDS drugs: Improving 

access to medicines in the developing 

world. D. S. Teager, D. H. Ripin, 

R. Stringham, J. Fortunak 

9:55 278. Discovery and development of 

scalable routes to prepare AMG-221. 

K. B. Hansen 

10:35 279. Development of a scaleable process 

for the production of a small molecule 

clinical candidate. S. H. Wagaw 

11:15 280. Catalytic asymmetric reactions in 

the synthesis of complex drug targets. 

A. Klapars,K.R.Campos, 

J. H. Waldman, C. Chen 



and ORGN 










Section A 


Room 153A/B/C 

Lunch and Learn Case Study: Chemistry 

and Pharmaceutical Blogging 

An Important Means of Non-Traditional 

Scientific Communication 

T. Bannister, C. Drahl, Organizers, 

Presiding 

Section B 


Room 253A/B 

An Update on the War on Obesity 

J. Macor, W. Ewing, Organizers, Presiding 





MEDI 

TECH–77


2:00 281. Combination strategies to treat 

obesity: Overview of peripheral and central 

pathways modulating energy homeostasis. 

M. A. Pelleymounter 

2:30 282. Discovery of Lorcaserin: A selective 

5-HT 2C receptor agonist for the treatment 

of obesity. B. M. Smith 

3:00 283. MCH R1 antagonists: Problems 

and solutions. D. L. Hertzog, 

K. A. Al-Barazanji, K. K. Barvian, 

E. Bigham, M. J. Bishop, C. S. Britt, 

D. L. Carlton, A. J. Carpenter, 

J. P. Cooper, D. M. Garrido, A. S. Goetz, 

G. M. Green, M. K. Grizzle, Y. C. Guo, 

A. L. Handlon, C. E. Hyman, D. M. Ignar, 

D. G. Lang, R. O. Morgan, A. J. Peat, 

G. E. Peckham, A. J. Reisinger, 

J. D. Speake, W. R. Swain, F. X. Tavares, 

H. Zhou 

3:30 284. Discovery of S-2367 (velneperit): A 

potent and selective NPY Y5 antagonist 

for the treatment of obesity. T. Okuno, 

H. Takenaka, Y. Aoyama, Y. Kanda, 

Y. Yoshida, T. Okada, H. Hashizume, 

M. Sakagami, T. Nakatani, K. Hattori, 

T. Ichihashi, T. Yoshikawa, H. Yukioka, 

K. Hanasaki, Y. Kawanishi 

4:00 285. Anti-obesity potential of SGLT2 

inhibitors in development for treatment of 

diabetes. W. N. Washburn 

4:30 286. Discovery of pramilitide and peptide 

approaches to treating obesity. 

S. S. Ghosh 

Section A 


Ballroom West 

General Oral Session Financially supported 

by Gilead Sciences, Inc. 


2:05 287. Isoquinucline-based GlyT1 inhibitors 

for schizophrenia: Discovery, optimization, 

synthesis, and in vivo pharmacology. 

J. S. Albert, C. Alhambra, D. Brott, 

T. Brugel, M. Chopra, G. E. Ernst, 

J. Forst, F. Gharahdaghi, D. Gryte, 

A. Gupta, C. Holmquist, J. Jonak, 

G. Koether, J. Liu, J. Milano, T. E. Norris, 

W. M. Potts, G. Smaggin, D. Song, 

S. Sydserff, M. Sylvester, G. Tian, 

J. G. Varnes, C. A. Veale, X. Wang, 

D. Widzowski, D. Wilkins, M. Wood, 

H. Xiong, S. Zukin 

2:35 288. From fragment-based lead generation 

to 2-aminoquinolines as potent beta-secretase 

inhibitors that are efficacious 

in vivo. Y. Cheng, K. Ashton, 

M. Bartberger, J. Brown, C. Bryan, 

K. Chen, J. Esmay, R. T. Fremeau Jr., 

J. Golden, S. Harried, D. Hickman, 

S. A. Hitchcock, M. Huang, B. Jordan, 

T. Judd, P. Lopez, S. W. Louie, Y. Luo, 

S. Mercede, K. Michelsen, T. Nixey, 

N. A. Paras, S. Poon, T. S. Powers, 

A. Sickmier, D. St. Jean, C. Tegley, 

W. Zhong, P. Wen, R. C. Wahl, S. Wood, 

M. Xue, B. Yang 

3:05 289. From discovery to clinic: 

GSK962040, the first oral, small molecule 

motilin receptor agonist for treatment of 

conditions associated with impaired gastric 

motility. S. M. Westaway, 

G. J. Sanger, G. Dukes 

3:35 290. Discovery of BMS-582949, a clinical 

p38a MAP kinase inhibitor for the 

treatment of inflammatory diseases. 

C. Liu, J. Lin, S. T. Wrobleski, S. Lin, 

J. Hynes, Jr., H. Wu, A. J. Dyckman, T. Li, 

J. Wityak, K. M. Gillooly, S. Pitt, D. Shen, 

R. F. Zhang, K. W. McIntyre, 

L. Salter-Cid, D. J. Shuster, H. Zhang, 

P. H. Marathe, A. M. Doweyko, 

J. S. Sack, L. Gao, J. Wang, R. R. Latek, 

U. Thienel, S. Kaul, M. McKinnon, 

J. H. Dodd, J. C. Barrish, G. L. Schieven, 

K. Leftheris 

78–TECH 


4:05 291. Development of an oxazolobenzimidazole 

class of positive allosteric 

modulators of mGluR2 for the treatment 

of schizophrenia. R. M. Garbaccio, 

E. J. Brnardic, M. E. Fraley, M. E. Layton, 

G. D. Hartman, M. A. Jacobson, 

B. C. Magliaro, P. H. Hutson, 

J. A. O’Brien, S. L. Huszar, J. M. Uslaner, 

K. L. Fillgrove, C. Tang, Y. Kuo, S. M. Sur 

4:35 292. Substituted biaryl pyrazoles as sodium 

channel blockers for the treatment 

of neuropathic pain. S. Tyagarajan, 

P. K. Chakravarty, B. Zhou, B. Taylor, 

W. H. Parsons, M. H. Fisher, 

M. J. Wyvratt, K. Lyons, T. Klatt, X. Li, 

S. Kumar, B. Williams, J. Felix, 

B. T. Priest, R. M. Brochu, V. Warren, 

M. Smith, M. Garcia, G. J. Kaczorowski, 

W. J. Martin, C. Abbadie, E. McGowan, 

N. Jochnowitz, A. Weber, J. L. Duffy 

Improving Drug Candidates by Design: A 

Focus on Physical Properties to Improve 

Disposition and Safety Sponsored by TOXI, 


Natural Products Biosynthesis Sponsored 

by BIOL, Cosponsored by MEDI and ORGN 



and ORGN 


Hybrid Explicit/Implicit Methods Sponsored 

by COMP, Cosponsored by CINF and MEDI 


Section A 


Ballroom West 

JAK Kinase Inhibitors for Cancer and 

Myeloproliferative Disease 

S. Ioannidis, Organizer 

M. Lamb, Organizer, Presiding 

8:30 293. Molecular pathogenesis and therapy 

of myeloproliferative neoplasms. 

P. Koppikar, O. Abdel-Wahab, 

S. Marubayashi, O. Kilpivaara, N. Kucine, 

R. L. Levine 

9:10 294. Identification of AZD1480 as a 

novel JAK2 inhibitor. S. Ioannidis 

9:50 295. Discovery of CYT387: A potent 

and selective dual inhibitor of JAK1 and 

JAK2. C. J. Burns 

10:30 296. Discovery of polycyclic azaindoles 

and deazapurines as potent JAK2 

inhibitors. M. W. Ledeboer 

11:10 297. Discovery of INCB018424: A potent 

and selective JAK1/JAK2 inhibitor for 

the treatment of myeloproliferative neoplasms. 

J. D. Rodgers, J. S. Fridman, 

S. Shepard, T. P. Maduskuie, 

A. G. Arvanitis, H. Wang, L. Shao, 

B. Folmer, N. Falahatpisheh, M. Rafalski, 

L. Storace, R. K. Jalluri, K. Vaddi, 

P. J. Haley, T. C. Burn, M. Rupar, 

P. C. Liu, M. B. Covington, E. Caulder, 

J. Li, P. Waeltz, A. Margulis, R. Wynn, 

M. Becker-Pasha, Y. Li, Y. Lo, 

B. Thomas, G. Hollis, M. F. Favata, 

X. Wen, J. Kelly, K. Solomon, 

P. A. Scherle, J. Shi, S. Yeleswaram, 

R. C. Newton, S. M. Friedman, B. Metcalf 

Section B 


Room 253A/B 

Opioid Receptors as Targets for Drug 

Discovery 

M. Lamb, T. Prisinzano, Organizers 

T. Brugel, Organizer, Presiding 


8:35 298. Opioid receptors: Past, present, 

and future. T. E. Prisinzano 

9:20 299. Strategies employed and outcomes 

of the multiparameter optimization 

of 4-piperidin-4-ylidenemethyl-benzamides 

as potent and selective �-opioid 

receptor agonists. C. L. Dantzman, 

M. M. King, S. Wesolowski, G. E. Ernst, 

X. Wang, J. McCauley, K. Brush, 

W. E. Palmer, W. Frietze, V. Hoesch, 

D. W. Andisik, T. J. Hudzik, K. H. Bui, 

J. Liu, N. Spear 

10:05 300. Discovery of carboxamide bioisosteres 

of the phenolic-OH of opioids. 

M. P. Wentland, J. M. Bidlack, Y. Bu, 

C. L. Cioffi, D. J. Cohen, 

C. M. Dehnhardt, W. Duan, R. Ganorkar, 

J. Gargano, C. Guo, J. Jaber, J. Jin, 

X. Jia, S. Jo, B. I. Knapp, R. Kucejko, 

R. Lou, Q. Lu, A. L. Parkhill, 

G. P. Richardson, X. Sun, 

M. A. VanAlstine, G. Xu, Y. Ye, H. Zhang, 

S. Zhang, Q. Zhou 

10:50 301. Discovery and characterization 

of a new kappa selective opioid receptor 

antagonist. C. H. Mitch, S. Quimby, 

J. Matt, N. Diaz, C. Pedregal, 

M. De La Torre, Q. Shi, E. Canada, 

D. McKinzie, M. Statnick 

11:35 302. Potential of opioid receptor antagonists 

to manage L-DOPA-induced 

dyskinesia in Parkinson’s disease. 

R. E. Dolle, A. Goodman, 

B. Le Bourdonnec, P. J. Little, 

J. M. Brotchie, T. H. Johnston, 

J. B. Koprich, S. H. Fox 

Process Chemistry: Role of Organic 

Chemistry in Early Clinical Drug 

Development V Sponsored by ORGN, 



Sponsored by CARB, Cosponsored by MEDI 






Section B 


Room 253A/B 

New Therapeutic Approaches for Major 

Ocular Diseases 

T. Bannister, R. Fecik, Organizers, 

Presiding 

1:30 303. Multifunctional antioxidants for 

the treatment of age-related eye diseases. 

P. F. Kador, J. Randazzo, 

H. Kawada, H. Jin 

1:55 304. Aldose reductase inhibitors for the 

treatment of diabetic cataracts and retinopathy. 

P. F. Kador, M. Wyman, 

K. Blessing 

2:15 305. KDR kinase inhibitors for retinal 

disease: The design and investigation of 

small molecules for topical and intravitreal 

dosing. M. T. Bilodeau, 

A. L. Webber, L. A. Hettrick, 

A. C. Hughes, J. W. Maxwell, Y. Kim, 

R. L. Peiffer, W. O. Cook, S. Mittal, B. Ma, 

X. Mao, K. A. Thomas, C. J. Thut 

2:45 306. Recent investigations of prostaglandin 

receptor agonist analogs as novel 

ocular hypotensive agents in glaucoma 

management. R. M. Burk 

3:15 307. Discovery and in vitro SAR of AR- 

12286, a potent kinase inhibitor for the 

treatment of glaucoma. M. A. deLong, 

J. M. Sturdivant, S. M. Royalty, 

G. R. Heintzelman, J. D. Yingling, 

C. L. Laethem, B. W. Sherman, 

C. C. Kopczynski 

3:45 308. Development of Rho kinase inhibitors 

for the treatment of glaucoma. 

Y. Feng, P. LoGrasso, Y. Yin, Y. Chen, 

X. Fang, S. Chowdhury, T. D. Bannister, 

A. Weiser, J. Pocas, W. Grant, 

T. Schroeter, M. D. Cameron, L. Lin, 

C. Ruiz, S. Khan, A. Pachori, T. Inoue, 

V. Rao 

4:15 309. Palomid 529, a dual TORC1/ 

TORC2 inhibitor of the PI3K/Akt/mTOR 

pathway as a therapeutic approach to ocular 

diseases of retinal neovascularization. 

D. Sherris 

4:45 310. Activation of the serotonin 5-HT1A 

receptor protects the retina from severe 

photo-oxidative stress. R. J. Collier 

5:15 311. Rho kinase inhibitors: A potential 

new treatment for glaucoma. D. J. Slade, 

N. Pelz, J. Lampe, P. Watson, 

W. Peterson, A. Brown, E. Glaub, 

C. Crean, R. Verhoeven, J. Vittitow 

Section A 


Ballroom West 

Drug Discovery for Epigenetic Targets 

D. Hertzog, Organizer 

R. Trump, Organizer, Presiding 

2:00 312. Epigenetic reprogramming of cancer 

cells by targeting DNA methylation 

dynamics. D. J. Bearss,D.A.Jones, 

B. R. Cairns, S. Sharma 

2:30 313. Modulating the epigenetic code 

readout in transcription. M. Zhou 

3:00 314. Discovery of epigenetic chemical 

probes. H. Ouyang, C. Arrowsmith, 

P. J. Brown 

3:30 315. Structure and mechanism guided 

identification of histone demethylase inhibitors. 

C. J. Schofield 

4:00 316. Discovery of chemical probes for 

protein lysine methyltransferase G9a. 

F. Liu, X. Chen, A. Allali-Hassani, 

A. M. Quinn, T. J. Wigle, D. Barsyte, 

J. M. Yost, G. A. Wasney, A. Dong, 

I. Kozieradzki, G. Senisterra, I. Chau, 

A. Siarheyeva, A. Van Deusen, 

D. B. Kireev, A. Jadhav, M. Herold, 

S. V. Frye, C. H. Arrowsmith, 

W. P. Janzen, P. J. Brown, A. Simeonov, 

M. Vedadi, J. Jin 

4:30 317. Identification of potent and selective 

small molecule inhibitors of the BET 

family bromodomains demonstrate the 

tractability of a new class of epigenetic 

targets for drug discovery. C. Chung 






Section A 


Room 153ABC 

General Poster Session 


7:00–9:00 

318. Asymmetric synthesis of the estrogen 

receptor � ligand, S-2,3-bis(p-hydroxyphenyl)propionitrile 

(S-DPN). 

V. M. Carroll, J. A. Katzenellenbogen 

319. Synthesis and structural optimization of 

multiple H-bonding region of diarylalkyl 

(thio)amides as novel TRPV1 antagonists. 

F. Li, J. Jang, N. Kim, Y. Jeong, S. Kim, 

Y. Park, Y. Suh 






consent from ACS.

320. Active-site probes of serine beta-lactamases: 

Hydrogen-bond analogs of C-6 

substituted hydroxymethyl, synthesis, 

and structure-activity relationships. 

M. Nottingham, S. R. Pagadala, 

C. R. Bethel, E. Harry, R. A. Bonomo, 

J. D. Buynak 

321. In vitro effects of C-7 aryl fluoroquinolones 

on DNA gyrase and DNA. 

H. A. Schwanz, J. D. Rosen, R. J. Kerns 

322. “Trojan horse” strategy: An efficient 

therapy against multidrug resistance bacteria. 

S. Fardeau, A. Jonet, 

A. Dassonville-Klimpt, N. Audic, 

P. Sonnet 

323. Polyacetylene natural products as potential 

antibiotic agents: Total synthesis, 

biological evaluation, and analog studies. 

J. H. Hoody, T. Lanoue, E. S. Bolstad, 

N. D. Priestley, D. B. Bolstad 

324. Benzothiophenesulfonylamidophosphonates: 

Novel inhibitors of 

Class A and C Beta-lactamases. 

K. D. Dykstra,S.Kim,Q.Tan, 

F. DiNinno, M. L. Hammond, Y. Park,, 

A. Ogawa, S. Raghoobar, R. E. Painter, 

D. Wisniewski,, T. Guine, C. Yang, 

A. Bansal, M. Proctor, Z. Zhang, W. Tang, 

N. Hairston, S. Lee, A. Misura, 

T. Felcetto, P. Fitzgerald, N. Sharma, 

J. Lu, S. Ha, E. Hickey, K. Young, 

J. Hermes, S. Raeppel, M. Stephane, 

N. Z. Zhou, F. Gaudette, A. Vaisburg, 

J. M. Besterman, J. Rahil, 

N. Georgopapadakou, R. Gabi 

325. Influence of a C-2 thioether moiety on 

the activity of fluoroquinolone antibiotics. 

K. R. Marks, R. J. Kerns 

326. Membrane and self-association studies 

of benzophenone based antibiotic. 

M. B. Dewal, S. K. Vooturi, 

S. M. Firestine 

327. Concise synthesis and antibacterial 

evaluation of 2-hydroxy-1-(indol-3-yl)-4methylpentan-3-one, 

a natural product 

from Xenorhabdus nematophilus, and its 

analogs. S. T. Nguyen, N. P. Peet, 

M. M. Butler 

328. Discovery of 5-(arenethynyl) monocyclic 

derivatives as potent inhibitors of native 

BCR-ABL including the T315I gatekeeper 

mutant. M. Thomas,W.Huang,D.Wen, 

X. Zhu, Y. Wang, C. A. Metcalf, S. Liu, 

I. Chen, J. Romero, Z. Dong, F. Li, J. Qi, 

Q. Xu, J. Keats, F. Wang, S. Wardwell, 

Y. Ning, J. T. Snodgrass, M. I. Broudy, 

K. Russian, J. Iuliucci, V. M. Rivera, 

T. K. Sawyer, D. Dalgarno, T. Clackson, 

W. C. Shakespeare 

329. Discovery and optimization of potent 

and selective B-RAF kinase inhibitors. 

H. Wu, J. Lapierre, N. Namdev, 

P. Hutchins, M. Moussa, M. Tandon, 

J. Hill, Y. Liu, J. Link, D. Kizer, C. Bruseo, 

J. Szwaya, C. Chen, D. France, 

M. A. Ashwell 

330. Novel semisynthetic pentacyclic triterpenoids 

with cytotoxic activity. 

A. S. Leal, R. C. Santos, M. Cascante, 

J. A. Salvador 

331. Aminothiazole analogs as CDK5 inhibitors. 

P. Jain, D. Shah, P. Flaherty, 

J. Madura, L. Meijer 

332. Lead optimization of furanopyrimidine 

Aurora kinase inhibitors: Development of 

in vivo active agents in tumor xenograft 

models. H. Hsieh, C. Chu, M. S. Coumar, 

W.Lin,C.Chen,T.Hsu,S.Wu,Y.Chao 


novel and highly potent taxoids for tumor-targeted 

drug delivery. J. D. Seitz, 

E. S. Zuniga, I. Ojima 

334. Anthraquinone-type anticancer compounds: 

Derivatives of hydramycin (NSC- 

698410). C. Njiojob, M. Bahta, 

S. S. Headrick, A. Dervishi, D. C. Baker 

335. Development and optimization of fluorescence 

polarization and mitochondrial 

function assays for potent B-Cell Lymphocyte/Leukemia-2 

family proteins inhibitors. 

L. Liu, H. Zhou, J. Chen, 

A. Aguilar, J. Long, 

Z. Nikolovska-Coleska, J. Meagher, 

J. Stuckey, H. Yi, S. Wang 

336. Antileishmanial activities of new histone 

deacetylase inhibitors. 

M. Tabraue-Chavez, V. Corpas-Lopez, 

S. Panadero-Fajardo, F. Franco A. L., 

F. Morillas-Marquez, 

J. F. Dominguez-Seglar, 

J. Martin-Sanchez, J. A. Gomez-Vidal 

337. Design, synthesis and screening of 

novel bis-benzimidazole derivatives as 

cytotoxic agents. R. J. Shah,N.R.Modi, 

L. J. Patel 

338. 5a-Carba-b-D-glucopyranose derivatives 

as novel sodium-dependent glucose 

cotransporter 2 (SGLT2) inhibitors for the 

treatment of type 2 diabetes. Y. Ohtake, 

T. Sato, M. Nishimoto, N. Taka, 

K. Takano, K. Yamamoto, M. Ohmori, 

T. Higuchi, M. Murakata, T. Kobayashi, 

H. Matsuoka, N. Shinma, M. Suzuki, 

H. Hagita, K. Ozawa, K. Yamaguchi, 

M. Kato, S. Ikeda 

339. Efficient synthesis of pyrazolopyrimidine 

libraries which exhibit anaplastic 

lymphoma kinase (ALK) inhibition. 

P. J. Slavish, J. E. Price, 

P. B. Hanumesh, Q. Jiang, X. Cui, 

V. A. Boyd, S. W. Morris, T. R. Webb 

340. Synthesis, biological evaluation and 

structure-activity relationships of 4-substituted 

methoxybenzoyl aryl thiazole 

(SMART) as anticancer agents. Y. Lu, 

C. Li, Z. Wang, J. Chen, J. T. Dalton, 

W. Li, D. D. Miller 

341. Chemoenzymatic approach to the synthesis 

of bioactive tripeptide mimetics for 

treatment of cancer. R. Ostaszewski, 

M. Mroczkiewicz, S. Kłossowski 

342. 5,5�-Substituted indirubin-3�-oxime derivatives 

as potent cyclin-dependent kinase 

inhibitors with anticancer activity. 

S. Choi, J. Lee, S. Jeong, I. Im, S. Lee, 

E. Lee, S. Lee, S. Kwon, S. Ahn, J. Yoon, 

S. Han, J. Kim, Y. Kim 

343. Indirubin derivatives as potent FLT3 inhibitors 

with anti-proliferative activity of 

acute myleoid leukemic cells. S. Choi, 

J. Lee, S. Lee, S. Choi, S. Han, Y. Kim 

344. Synthesis and selective tumor targeting 

properties of some asymmetric porphyrins. 

R. Socoteanu, R. Boscencu, 

A. Hirtopeanu, C. Deleanu, C. Constantin, 

A. Oliveira, L. Vieira Ferreira 

345. Design of potent ATP-competitive 

MEK1 inhibitors. C. C. Cheng, 

M. P. Richards, X. Huang, G. W. Shipps, 

P. Spacciapoli, C. E. Whitehurst, 

R. Zhang, T. Fischmann, L. Xiao, D. Carr, 

D. Rindgen, C. K. Smith 

346. Exploration of novel benzimidazole core 

as selective CDK5/p25 inhibitors. P. Jain, 

S. Yi, P. T. Flaherty, J. D. Madura, 

L. Meijer 

347. Total synthesis and anticancer activity 

of novel glycolipid derivatives. M. Kim, 

Y. Lee, H. Moon, M. Jung, H. Kim, T. Yun, 

J. Ricci 

348. Synthesis and biological activity of a series 

of ring-expanded heterocyclic bases 

containing the 5:7-fused imidazo[4,5e][1,3]diazepine 

ring system as potent anti-cancer 

agents. M. Xie, 

H. S. Ramanchandra 

349. Discovery and SAR study of antagonists 

towards both 5-HT2C and 5-HT6 receptors. 

C. Park,S.Kim,W.Park 

350. Facile synthesis of octahydrobenzo- 

[h]isoquinolines, a new class of potent 

and selective D 1 dopamine agonists. 

L. A. Bonner, B. R. Chemel, V. J. Watts, 

D. E. Nichols 

351. HPLC study of distribution of two acetylcholinesterase 

inhibitors: Tacrine and 

7-MEOTA after oral administration in rats. 

J. Zdarova Karasova, M. Hroch, 

M. Pohanka, L. Novotny, K. Kuca 

352. Monoamine releasers as potential treatments 

for stimulant addictions. 

A. M. Decker, B. E. Blough, J. S. Partilla, 

A. Landavazo, R. B. Rothman 

353. Structure activity relationship study of 

BAY 59-3074, a partial agonist of the CB1 

cannabinoid receptor. H. Teng, 

G. Thakur, A. Makriyannis 

354. Novel CB2 selective bicyclic cannabinoids. 

G. A. Thakur, V. Shukla, S. Bajaj, 

A. Makriyannis 

355. Synthesis and biological studies of androgen 

receptor ligands: Towards mutation-resistant 

nonsteroidal antagonism. 

C. B. Duke, A. Jones, C. Bohl, 

J. T. Dalton, D. D. Miller 

356. Discovery of 2,2-difluoro-2-phenylethylpiperidines 

as NR2B-subtype selective 

NMDA receptor antagonists. 

M. J. Kelly III, M. Layton, D. Armstrong, 

J. Butcher, C. Claiborne, D. Claremon, 

G. Hartman, B. Libby, N. Liverton, 

J. McCauley, C. McIntyre, P. Munson, 

K. Nguyen, B. Phillips, K. Rodzinak, 

J. Romano, P. Sanderson, J. Schreier, 

W. Thompson, M. Yaroschak, S. Young, 

B. Bednar, R. Bednar, K. Chapman, 

M. Cunningham, A. DiLella, S. Gaul, 

S. Kane, K. Koblan, Y. Leonard, A. Liang, 

E. Lyle, J. Lynch, S. Mosser, D. Reiss, 

G. Stump, H. Sun, H. Wang, M. Xia, 

C. Addy, C. Shadle, J. Stone, M. Stroh, 

C. Fandozzi, J. Ellis, R. Gundersdorf, 

N. Trainor, J. Yergey 

357. Bifunctional dopamine D3 selective agonist 

as novel antiparkinsonian agents: 

Evaluation of selected compounds in Parkinson’s 

disease animal model. 

B. Ghosh, T. Antonio, M. Reith, a. dutta 

358. Non-covalent interactions of quaternary 

heteroaromatic compounds with cholinesterases: 

Analogs of SAD-128. 

K. Musilek, J. Roder, O. Holas, 

A. Horova, M. Pohanka, V. Opletalova, 

K. Kuca 

359. Design, synthesis and biological activity 

of novel �,�-unsaturated carbonyl compounds 

as acetylcholinesterase inhibitors. 

S. Bag, S. Datta, T. Achildiev, 

A. Rudnitskaya, M. Török,B.Török 


361. Synthesis and evaluation of a homologous 

series of 3,5-trisubstituted gammabutyrolactones 

as potential muscarinic ligands. 

R. Gao,D.J.Canney 

362. Synthesis, nicotinic acetylcholine receptors 

binding and antinociceptive 

properties of 3�-(substituted pyridine)epibatidine 

analogs. P. W. Ondachi, 

F. Carroll 

363. Synthesis, nicotinic acetylcholine receptors 

binding and antinociceptive 

properties of 2�-fluoro-3�-(substituted 

pyridine)deschloroepibatidine analogs. 

P. W. Ondachi, F. Carroll 

364. Adventures in pyridyl azabicycloalkenes: 

In search of dual affinity nicotinic ligands. 

S. R. Breining, B. S. Bhatti, 

M. S. Melvin 

365. 1-Acyl-4-sulfonylpiperazines as a new 

class of selective cannabinoid 1 receptor 

(CB1R) inverse agonists for the treatment 

of obesity: Correlation between peripherally 

vs. CNS-expressed CB1R and efficacy. 

P. Vachal, J. M. Fletcher, 

T. M. Fong, C. C. Huang, J. Lao, 

J. C. Xiao, C. Shen, S. Ha, A. Strack, 

L. Shearman, S. Stribling, R. Z. Chen, 

A. Frasseto, X. Tong, J. Wang, 

J. Achanfuo-Yeboah, R. G. Ball, 

N. N. Tsou, G. J. Hickey, D. F. Thompson, 

T. D. Faidley, S. Nicolich, D. F. Hora, 

J. J. Hale, W. K. Hagmann 

366. Development of N-aryl piperazines as 

selective mGluR 5 potentiators. Y. Zhou, 

J. T. Manka, A. L. Rodriguez, D. Weaver, 

E. J. Hermann, C. J. Jones, J. P. Conn, 

C. W. Lindsley, S. R. Stauffer 

367. Design and synthesis of tryptaminebased 

5HT2C agonists for the treatment 

of certain CNS disorders. S. Leit, 

A. Elder, D. Wilson, R. Hunt, B. Li, 

K. Wiig, J. Song, H. P. Sard, B. Roth, 

C. Morency, G. Kumaran, L. Xu, J. Li, 

Y. Zhang, R. Reddy, D. Gerber, 

G. Harriman 

368. Synthesis and SAR of piperazinyl and 

homopiperazinyl analogs as positive allosteric 

modulators of mGluR4. Y. Cheung, 

C. R. Hopkins, C. Niswender, 

C. W. Lindsley, P. Conn 

369. Corticotropin releasing factor receptor-1 

(CRF1) antagonists: Synthesis and 

structure-activity relationship studies of 

pyrazinones with carbamate and etherbased 

substituents. V. T. Ahuja, 

R. A. Hartz, G. K. Mattson, T. F. Molski, 

S. Lelas, Y. Li, J. E. Grace, K. A. Lentz, 

R. J. Mattson, J. J. Bronson, J. E. Macor 

370. Hybrid adamantyl cannabinoids. 

S. Bajaj, G. A. Thakur, R. Tichkule, 

A. Makriyannis 

371. Fused oxacyclic-thiazolylidines as a 

novel series of potent CB 2 agonists. 

S. Peddi, A. Perez-Medrano, J. M. Frost, 

M. J. Dart, A. V. Daza, L. Li, 

G. K. Grayson, Y. Fan, B. A. Hooker, 

L. N. Miller, T. R. Garrison, 

O. F. El-Kouhen, B. Yao, G. C. Hseih, 

W. A. Carroll, M. D. Meyer 

372. Parachute strategy for drug discovery: 

Design and synthesis of trypanosomal 

phosphodiesterase inhibitors towards African 

sleeping sickness therapeutics. 

C. Wang, R. K. Campbell, A. Gustafson, 

N. D. Bland, C. Tallman, M. Russo, 

M. P. Pollastri 

373. Selective and potent benzoxazole inhibitors 

of Cryptosporidium parvum inosine 

5�-monophosphate dehydrogenase. 

M. Kavitha, S. K. Gorla, M. Zhang, X. Liu, 

L. Sharling, D. R. Gollapall, B. Striepen, 

G. Cuny, L. Hedstrom 

374. Synthesis of small molecule inhibitors of 

Mtb Dxr from Mycobacterium tuberculosis. 

G. San Jose, K. Kehn-Hall, 

F. Kashanchi, H. I. Boshoff, C. S. Dowd 

375. Parachute strategy for drug discovery: 

Design and synthesis of trypanosomal 

histone deacetylase inhibitors towards 

trypanosomal disease therapeutics. 

C. M. Snedeker, J. E. Bradner, G. Estiu, 

D. Horn, J. Qi, O. Wiest, Q. Wang, 

M. P. Pollastri 

376. Isolation of leishmania amastigote protein 

fractions which induced lymphocyte 

stimulation and remission of psoriasis. 

J. A. O’Daly 

377. Biological evaluation of novel antitubercular 

trisubstituted benzimidazoles on 

Mtb-FtsZ: Discovery of novel mechanism 

of action. D. Awasthi, K. Kumar, 

B. Ruzsicska, P. J. Tonge, R. A. Slayden, 

I. Ojima 

378. Design, synthesis and in-vitro antibacterial 

and antifungal activities of some 

novel spiro[azetidine-2, 3�-indole]-2, 

4(1�H)-dione. R. J. Shah, N. R. Modi, 

M. J. Patel, L. J. Patel 

379. Discovery of novel hit compounds for 

Trypanosoma cruzi sterol 14�-demethylase 

through structure-based virtual 

screening. R. C. Braga, J. R. Sabino, 

V. de Oliveira, C. H. Andrade 

380. Inhibitors of trypanosomal Aurora kinases 

as an approach for treatments of 

African sleeping sickness. S. O. Ochiana, 

L. Ruben, J. G. Hubbard, 

M. J. Ondrechen, M. P. Pollastri 

381. Synthesis, characterization, and antimicrobial 

properties of silver carbene complexes 

encapsulated in polyethylene glycol-polylactic 

acid micelles. A. R. Knapp, 

M. J. Panzner, W. J. Youngs, 

C. L. Cannon, J. G. Leid 

382. Synthesis and structural studies of the 

antimicrobial action of some amphipathic 

cyclopeptides. M. Ngu-Schwemlein, 

T. Stevens, J. Brooks 





MEDI 

TECH–79


383. Identification and structure-activity relationships 

of 2,6-disubstituted pyrazines 

as antituberculosis agents. Y. Sun, 

V. Petukhova, R. S. Giri, L. L. Klein, 

Y. Song, N. Zhang, K. Peng, B. Wan, 

Y. Wang, S. G. Franzblau 

384. Highly potent and selective inhibitors 

for Cryptosporidium parvum inosine 5�monophosphate 

dehydrogenase: SAR 

and anticryptosporidial activity. 

S. K. Gorla, M. Kavitha, M. Zhang, X. Liu, 

L. Sharling, I. S. MacPherson, 

D. R. Gollapalli, B. Striepen, G. Cuny, 

L. Hedstrom 

385. Antifungal agents from multivalent antimicrobial 

peptides design. A. Young, 

S. Safir, C. Zhou, N. Kallenbach 

386. Synthesis of pyridone-based glucokinase 

activators. K. J. Filipski, 

C. S. Jones, M. L. Minich, S. W. Wright, 

J. Li, A. Guzman-Perez, J. A. Pfefferkorn 

387. Development of diaryl ether-based ligands 

for estrogen-related receptor � as 

potential anti-diabetic agents. 

R. J. Patch, L. L. Searle, A. J. Kim, D. De, 

X. Zhu, H. B. Askari, J. C. O’Neill, 

M. C. Abad, D. Rentzeperis, J. G. Geisler, 

J. M. Lenhard, M. R. Player, M. D. Gaul 

388. Pyrimidine carboxamides as potent and 

selective CCK1R agonists. L. Wang, 

Z. Chen, T. G. Holt, J. A. Hubert, 

B. V. Karanam, S. J. Lee, J. Pan, S. Qian, 

V. B. Reddy, M. L. Reitman, A. M. Strack, 

V. Tong, D. T. Weingarth, M. S. Wolff, 

D. J. MacNeil, A. E. Weber, 

S. D. Edmondson 

389. Discovery of new phenylthiazolyl 

PPARa/d selective agonists. 

M. Dubernet, J. Delhomel, 

A. Rubenstrunk, R. Walczak, 

K. Bertrand-Caumont, D. W. Hum 

390. Discovery of a potent, proteolytically 

stable, and cell permeable human SIRT1 

and SIRT2 peptidomimetic inhibitor containing 

N e -thioacetyl-lysine. 

B. M. Hirsch, C. A. Gallo, Z. Du, Z. Wang, 

W. Zheng 

391. Antileishmanial activities of new histone 

deacetylase inhibitors. 

C. Erlanson-Albertsson 

392. Discovery of aminopyrimidine derivatives 

as novel GPR119 receptor agonists. 

Y. Yonetoku, K. Negoro, K. Onda, 

M. Hayakawa, D. Sasuga, T. Nigawara, 

K. Iikubo, K. Yonezawa, H. Moritomo, 

T. Matsui, S. Yoshida, H. Tanaka, 

T. Ohishi, H. Kayakiri, M. Ohta, 

M. Takeuchi 

393. 6-Amino-4-(pyrimidin-4-yl)pyridones: 

Novel glycogen synthase kinase-3b inhibitors. 

K. Coffman, M. Brodney, 

J. Cook, L. Lanyon, J. Pandit, S. Sakya, 

J. Schachter, E. Tseng-Lovering, 

M. Wessel 

394. Strategy to control hERG activity of 

brain penetrant Melanin-concentrating 

hormone 1 receptor (MCH1r) antagonists. 

Y. Jiang, B. Chen, S. Hong, 

E. M. Eldemenky, K. Lu, M. R. Marzabadi, 

B. Li, H. Zhang, K. A. Jones, A. D. White, 

M. Labelle 

395. Diamine template as novel Melaninconcentrating 

hormone 1 receptor 

(MCH1r) antagonists with improved cardiovascular 

safety. Y. Jiang, C. Chen, 

B. Chen, E. M. Eldemenky, C. G. Mazza, 

N. Ray, M. R. Marzabadi, C. Forray, B. Li, 

H. Zhang, K. A. Jones, D. Dong, 

G. Chandrasena, D. A. Craig, X. Ping, 

K. Andersen 

396. Design and synthesis of fluorescent 

compounds as a new class of antagonists 

targeting PPAR�. Y. Liu,A.Wang, 

Y. A. Tomita, S. Dakshanamurth, 

R. I. Glazer, M. L. Brown, Y. Kong 

397. Design, synthesis and QSAR study of 

novel 2-(2, 3-dioxo-2, 3-dihydro-1H-indol-1-yl)-N-phenylacetamide 

derivatives 

as cytotoxic agents. R. J. Shah, 

N. R. Modi, L. J. Patel 

398. Extraction of chemical information from 

documents. H. O. Villar, J. Betancort, 

M. R. Hansen 

80–TECH 


399. Application of the interligand Overhauser 

effect to fragment linking and 

screening. P. Sledz,A.W.Hung, 

H. L. Silvestre, S. Wen, A. Ciulli, 

T. L. Blundell, C. Abell 

400. Covalent inhibitor design: Quantum mechanical 

calculation of electrophilicity for 

optimization of bond-forming functional 

groups. z. Zhu, K. N. Houk, E. Krenske, 

J. Singh, M. Labenski, K. Lee, 

R. C. Petter 

401. CoMFA analysis of pyrrolo[2,3-d]pyrimidines 

and furo[2,3-d]pyrimidines as multiple 

receptor tyrosine kinase inhibitors. 

A. Gangjee, S. Raghavan 

402. Trainable QSAR model of plasma protein 

binding and its application for predicting 

volume of distribution. 

K. Lanevskij, R. Didziapetris, P. Japertas 

403. Approach to quick lead optimization including 

physicochemical and ADME profiling. 

P. Japertas, A. Sazonovas, 

K. Lanevskij, K. Kassam 

404. How internal data marries public information 

in chemical and biological universes 

in drug discovery. P. Liu, 

D. Rassokhin, D. K. Agrafiotis 

405. Using open source descriptors and algorithms 

for modeling ADME properties. 

R. R. Gupta, E. M. Gifford, T. Liston, 

C. Waller, B. Bunin, S. Ekins 

406. Design and synthesis of deuterated erlotinib 

analogs with enhanced pharmacokinetic 

properties. C. E. Masse, 

R. Gallegos, V. Uttamsingh, 

A. J. Morales, S. Harbeson, R. Tung 

407. Third-generation synthetic inhibitors of 

plasminogen activator inhibitor-1. 

C. G. Vaghela, J. M. Lisi, 

N. C. El-Ayache, P. R. North, 

K. L. Sanders, M. Warnock, S. Li, 

D. A. Lawrence, C. D. Emal 

408. Design, synthesis, structure-activity relationships 

and biological evaluation of 

phenolic inhibitors of plasminogen activator 

inhibitor-1. K. L. Sanders, 

H. Y. Saraha, G. A. Abernathy, 

N. C. El-Ayache, S. Li, M. Warnock, 

D. A. Lawrence, C. D. Emal 

409. Discovery of new lead tetrapeptides reversible 

inhibitors of thrombin using 2Dtransferred 

NOESY NMR. C. C. Clement, 

M. Philipp 

410. Chemoenzymatic route to uncommon 

sugar nucleotides. L. Cai, W. Guan, 

P. G. Wang 

411. Triarylcarboxylic acid derivatives as 

novel xanthine oxidase inhibitors. 

J. Miyata, H. Kubota, K. Hattori, 

T. Asano, J. Watanabe, R. Munakata, 

A. Kamikawa, M. Kageyama, R. Naito, 

M. Kawakami, M. Takeuchi, M. Ohta 

412. Synthesis of carbon-11-labeled cholesterol-based 

cationic lipids as new potential 

PET probes for imaging of gene delivery. 

M. Gao, M. Wang, G. D. Hutchins, 

Q. Zheng 

413. Automating gradient method development 

in flash chromatography for greater 

productivity and minimizing solvent use. 

A. Lesniowski, D. McCreary, 

S. Anderson, K. Lawrence 

414. Biosensor detection of early onset septicemia. 

S. K. Hasan, S. Ammu, 

S. K. Manohar 


nitroxide-functionalized silica nanoparticles. 

M. M. Sprachman, A. H. Faraji, 

W. Feng, V. Kagan, P. Wipf 

416. Synthesis and evaluation of fluorine 

substituted CGRP receptor antagonists 

for the development of an 18 F PET imaging 

agent. J. J. Kim,M.R.Wood, 

K. M. Schirripa, E. Hostetler, S. Sanabria, 

C. Sur, D. L. Williams, Z. Zeng, 

L. L. Gammage, M. Williams, J. J. Cook, 

E. L. Moore, M. S. Michener, J. F. Fay, 

S. D. Mosser, R. B. White, J. G. Bruno, 

C. A. Salvatore, S. A. Kane, H. G. Selnick, 

S. L. Graham 

417. RevealX technology improves isolation 

and purification of natural products 

by flash chromatography. R. Bose, 


418. RevealX technology improves purification 

of lead generation compounds by 

flash chromatography. R. Bose, 


419. Development of an analytical method 

for the production and measurement of 

singlet oxygen. S. L. Pena, L. Rivera, 

O. Perales, S. Singh 

420. Discovery of dihydroindolyl azetidine 

derivatives as potent MCH antagonists 

with low PgP efflux. S. Hong, 

G. Chandrasena, B. Chen, E. Eldemenky, 

A. Husain, Y. Jiang, K. Jones, M. Labelle, 

B. Li, K. Lu, G. Ma, M. Marzabadi, 

C. Mazza, S. Miller, M. Packiarajan, 

M. Sabio, D. Smith, A. D. White, L. Wu 

421. Novel ammonium prodrug: Synthesis, 

pharmacokinetics, mechanism of release 

and scope. A. Regueiro-Ren, 

S. M. Jenkins, S. Kim, K. Mosure, 

S. Rahematpura, J. Simmermacher, 

M. Sinz, M. Zheng, K. Johnson, 

N. A. Meanwell, J. F. Kadow 

422. Hydrolytic properties of thymidine �-Pboranophosphate 

analogs. Z. Xu, 

B. R. Shaw 

423. Synthesis of sulfonyl curcumin mimics 

exerting a vasodilatation effect on the 

basilar artery of rabbits. C. Ahn,B.Park, 

H. Woo, J. Ham, W. Shin, S. Lee 

424. Computed tomography (CT) contrast 

agents for determining cartilage health. 

R. C. Stewart, P. N. Bansal, N. S. Joshi, 

V. Entezari, B. C. Malone, B. D. Snyder, 


425. Design and optimization of benzimidazole-containing 

cold menthol receptor 

(TRPM8) antagonists. D. J. Parks, 

R. R. Calvo, W. H. Parsons, S. Meegalla, 

S. K. Ballentine, J. Chen, C. R. Illig, 

D. J. Stone, N. Qin, T. L. Hutchinson, 

M. Lubin, Y. Liu, J. Baker, R. W. Colburn, 

C. M. Flores, M. R. Player 

426. Dendrimer based CT contrast agents 

for GAG quantification. S. E. Stidham, 


427. Synthesis, functionalization and photo- 

Bergman chemistry of enediyne bioconjugates. 

K. M. Wager,G.B.Jones 

428. Discovery, synthesis and biological 

evaluation of pyrrole derivatives as novel 

and highly selective potassium-competitive 

acid blockers (P-CABs). H. Nishida, 

A. Hasuoka, Y. Arikawa, O. Kurasawa, 

K. Hirase, N. Inatomi, Y. Hori, F. Sato, 

N. Tarui, A. Imanishi, M. Kondo, S. Endo, 

T. Takagi, M. Kajino 

429. Drug-like properties of macrocyclic 

molecules derived from DNA-programmed 

combinatorial libraries. 

B. Seigal, F. Favaloro Jr., T. F. Briggs, 

R. Sandberg-Diment, J. Furr, S. Hale, 

N. Terrett 

430. Optimization of affinity and relaxity of 

peptide-based fibrin-targeted MRI contrast 

agents via N-terminal PNA modification. 

Z. Zhang, M. Greenfield, 

A. Kolodziej, P. Caravan 

431. Electrochemical reactivity and interactions 

of quercetin with DNA in the presence 

of Cu(II) ions. S. Cutler, 

M. Stobiecka, M. Hepel 

432. Crystal structures and hydrogen bonding 

patterns in some Schiff Bases of 

pharmacological importance. 

J. P. Jasinski, R. J. Butcher, 

A. N. Mayekar, H. S. Yathirajan, 

B. Narayna 

433. Synthesis of new hybrid materials designed 

for iron selective electrodes based 

on selective amino spacer organizations. 

P. Rouge, M. Becuwe, 

A. Dassonville-Klimpt, A. Jonet, 

M. Benazza, C. Guery, E. Baudrin, 

P. Sonnet 


patterns in picrate salts of pharmacologically 

active compounds-I. 


Q. Hakim Al-arique, H. S. Yathirajan, 

B. Narayana 


patterns in picrates salts of pharmacologically 

active compounds-II. 


H. S. Yathirajan, B. Narayana, 

K. Prakash Kamath 

436. Effect of molecular charge in computed 

tomography imaging agents. H. Lusic, 

N. S. Joshi, R. C. Stewart, P. N. Bansal, 

B. D. Snyder, M. W. Grinstaff 

437. Structural characterization and biological 

activities of various soluble beta-1,3/ 

1,6-glucans. N. Bose, A. S. Chan, 

M. E. Danielson,C.M.Dudney, 

N. Elmasry, K. B. Gorden, F. O. Guerrero, 

R. R. Langeslay, A. S. Magee, 

C. M. Maristany, J. P. Vasilakos, 

R. M. Walsh, P. M. Will, L. R. Wurst 

438. Annonacin isolated from Asimina triloba 

fruit pulp is toxic to rat primary cortical 

neurons. L. F. Potts, F. A. Luzzio, 

I. Litvan, M. Hetman 

439. Identification of piperazine-bisamide 

GHSR antagonists for the treatment of 

obesity: Transformation from agonist to 

antagonist. M. Yu, M. Lizarzaburu, 

H. Beckmann, R. Connors, K. Dai, C. Li, 

L. Liang, M. Wanska, L. Li, J. C. Medina 


441. N-oxyde aurones as new, potent and 

non-toxic tyrosinase inhibitors. 

R. Haudecoeur, C. Dubois, 

A. Boumendjel, C. Belle, M. Réglier 

442. Synthesis and photophysical characterization 

of novel lanthanide-ion based luminescent 

probes for ultrasensitive detection 

of biopolymers. L. A. Wirpsza, 

S. A. Marras, M. Kozlov, L. Krasnoperov, 

A. Mustaev 

443. Oral delivery of insulin through the vitamin 

B 12 uptake pathway. S. M. Clardy, 

T. J. Fairchild, R. P. Doyle 

444. Novel prodrug strategy for intracellular 

delivery of bisphosphonates. 

M. R. Webster, C. Hann, C. Freel Meyers 

445. Synthesis and characterization of a new 

generation of �-galactosidase-activated 

MRI contrast agents. S. G. Byker, 

D. M. Ballweg, A. S. Harney, E. A. Waters, 

K. W. MacRenaris, K. Lakhoo, J. Krimmel, 

T. J. Meade 

446. Novel synthesis of prostamide analogs 

for use in the physiological characterization 

of a specific target receptor. 

E. L. Shelnut, A. Makriyannis 

447. Design and synthesis of sortase binding 

peptide analogs and an SAR study of 

small molecule sortase A inhibitors. S. Yi, 

A. Chan, N. Suree, R. T. Clubb, 

M. E. Jung 

448. Quantitation of prechafuroside A, Isovitexin 

2”-sulfate and Isovitexin in teas and 

fresh tea leaves from spring to autumn. 

H. Ishida, T. Usami, T. Wakimoto, 

H. Nukaya 

449. Synthesis of folate and siRNA conjugates 

derived from a water soluble melittin. 

I. R. Vlahov, H. R. Santhapuram, 

P. J. Kleindl, J. F. Vaughn, L. Qi, 

J. A. Reddy, C. P. Leamon 

450. Trainable in-silico screening filter for 

various human cytochrome P450 isoforms 

inhibition liability. R. Didziapetris, 

J. Dapkunas, A. Sazonovas, P. Japertas 

451. Screening for inhibitors of superoxide 

dismutase and characterization of inhibition 

using NMR. M. E. Arrington, 

J. S. Summers, J. D. Schmitt, J. Markley, 

M. R. Yost, E. Parris 

452. Pyrrolo[1,2-a]quinoxalin-4(5H)-ones as 

novel adenosine A3 antagonists. 

S. MAYER, S. Gardan, S. Schann, 

P. Neuville 

453. Effect of novel pp60 c-src inhibitors on 

mammalian glutathione S-transferase activity. 

B. S. I˙s¸gör,Y.G.I˙s¸gör, Z. Kılıç-Kurt, 

S. Ölgen 

454. Inhibitors of adenosine deaminase containing 

5:8-fused imidazo[4,5f][1,4]diazocine 

ring system. 

S. Tantravedi 






consent from ACS.

455. Solid phase synthesis of dendritic prodrugs 

of salicylic acid. D. Cater, M. Chai, 

G. Lu 

456. Synthesis of water-soluble salicylic acid 

analogs by sugar-conjugation. 

D. MacHue, J. Rowlett, M. Chai 

457. Improved synthesis of the epoxy isoprostane 

phospholipid PEIPC and its analogs. 

W. Zhong, J. Springstead, 

J. A. Berliner, M. E. Jung 

458. Design and synthesis of new derivatives 

of YK-4-279 as inhibitors of EWS-FLI1. 

P. N. Tosso, L. Jacobwitz, J. A. Toretsky, 

M. L. Brown, Y. Kong 

459. Design and synthesis of homodinuclear 

cyclen-based SH2 domain proteomimetics. 

S. Haftchenary, 

S. Fletcher, J. A. Drewry, J. Turkson, 

P. T. Gunning* 

460. Discovery of potent and selective inhibitors 

for ADAMTS-4 through encoded library 

technology (ELT). Y. Ding, 

H. O’Keefe, J. L. Svendsen, 

G. J. Franklin, P. A. Centrella, M. A. Clark, 

R. A. Acharya, F. Li, J. A. Messer, 

C. H. Chiu, R. E. Matico, 

M. F. Murray-Thompson, S. R. Skinner, 

S. L. Belyanskaya, D. I. Israel, 

J. W. Cuozzo, C. C. Arico-Muendel, 

B. A. Morgan 

461. Novel chemical probes for p300 HAT inhibition. 

C. Mukherjee, D. J. Meyers, 

E. M. Bowers, P. A. Cole 

462. Studies of ciprofloxacin encapsulation 

on biogels in organic solvent mixtures. 

V. E. Bosio, G. A. Islan, D. Kaplan, 

G. R. Castro 

463. New and efficient synthesis of regiospecifically 

deuterated covalent probes for 

cannabinoid receptors. G. A. Thakur, 

R. Sharma, A. Makriyannis 

464. Design and synthesis of a biotinylated 

derivative of the tylophorine analog DCB- 

3503. S. Francis, D. C. Baker, 

J. Gutierrez, Y. Cheng, X. Wang 

465. Optimization of alkyl amine renin inhibitors. 

C. M. Tice, R. D. Simpson, J. Yuan, 

Z. Xu, W. Zhao, L. Jia, S. Cacatian, 

P. T. Flaherty, J. Guo, A. Ishchenko, 

S. B. Singh, Z. Wu, B. M. McKeever, 

B. B. Scott, Y. Bukhtiyarov, J. Berbaum, 

R. Panemangalore, C. P. Doe, 

R. N. Willette, R. K. Harrison, 

G. M. McGeehan, L. W. Dillard, 

J. J. Baldwin, D. A. Claremon 

466. Effects of lead and mercury on the 

blood proteome of children. 

K. Bendinskas, R. Birdsall, M. Kiley, 

J. A. MacKenzie 

467. Helping build better pre-clinical drug 

candidates: Pharmaceutical development 

programs at the discovery-development 

interface. J. D. Higgins, A. Templeton, 

E. Kwong 

468. Correlative microscopy: Concurrent 

SEM and optical imaging of cells in an 

open system. D. Guarrera, H. Nishiyama, 

M. Suga, C. Sato 

469. Active targeting with controlled delivery 

of therapeutic agents to bone using versatile, 

bifunctional bisphosphonates. 

J. Yewle, D. Puleo, L. Bachas 

470. Design and synthesis of Mycobacterial 

proteasome inhibitors. G. V. Clements, 

H. I. Boshoff, C. S. Dowd 

471. New and facile way to Flustramine analogs 

through radical cyclization. 

G. A. Kraus, J. Beasley 

472. Fundamental oxidation and reduction 

chemistry of isoniazid and its reactive intermediates. 

K. A. Rickman, S. P. Mezyk, 

J. J. Kiddle 

473. Capture compound mass spectrometry: 

A novel chemical proteomics approach to 

profile small molecule-protein interactions 

for drug target discovery and offtarget 

binding-induced toxicity. 

M. Sefkow, S. Michaelis, C. Dalhoff, 

J. J. Fischer, O. Y. Graebner, F. Kroll, 

M. Glinski, M. Dreger, H. Koester 

474. Pyrrolopyrimidine-based P2X3 antagonists 

for the treatment of pain. L. Cantin, 

M. Bayrakdarian, C. Buon, Y. Hu, 

V. Kennedy, M. Laplante, C. Leung, 

X. Luo, N. Popovic, O. René, 

V. Santhakumar, J. Butterworth, 

C. Godbout, M. Gosselin, E. Grazzini, 

J. Labrecque, M. Paré, D. Projean, 

X. Hong Yu, M. J. Tomaszewski 

475. Drug discovery: Natural herbal formulation. 

J. L. Chan 

476. Synthesis and preliminary biological 

evaluation of 20-epi-eldecalcitol [20-Epi- 

1alfa,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin 

D3: 20-Epi-ED-71]. 

S. Hatakeyama, M. Yoshino, K. Eto, 

K. Takahashi, J. Ishihara, Y. Ono, 

H. Saito, N. Kubodera 

477. Investigation of preparative HPLC applications 

performed at both acidic and basic 

pH. J. W. Benedict 

478. Novel lacZ responsive enhanced Gdbased 

1 H MRI agents. J. Yu, 

J. Magnusson, R. P. Mason 

479. Synthesis of tetralene- and chromenebased 

4EGI-1 mimetics as inhibitors of 

eIF4E/eIF4G interaction. P. Mahalingam, 

Y. Wang, L. Chen, N. Zhang, J. J. Levy, 

E. Papadopoulos, B. H. Aktas, 


480. Spiro-benzamides as ENT-1 inhibitors. 

D. Berthelot, S. Pieters, M. De Cleyn, 

J. Bosmans, S. Pype, T. Meert 

481. Depth dependent swelling and mechanical 

behavior of cartilage. F. Horkay, 

I. Horkayne-Szakaly, E. K. Dimitriadis, 

C. Silva, P. J. Basser 

482. Evaluation of select fractions of mineral 

oil in vaccine preparation. R. S. Stahl, 

J. M. kemp, L. A. Miller 

483. Loading the dice by integrating lead optimization. 

R. D. Clark, D. Miller, 

R. Fraczkiewicz, M. Waldman, 

M. B. Bolger, W. S. Woltosz 



Section A 


Room 259A/B 



X. Wang, Presiding 

8:30 485. Multicomponent reactions for the 

discovery of p53-Mdm2 antagonists: 

Synthesis, chemoinformatics and biological 

evaluations. Y. Huang,A.Dömling 

8:50 486. Discovery of novel macrolide antibiotics: 

Synthesis and biological evaluation 

of 4,8,10-tridesmethyl telithromycin. 

V. Velvadapu, T. Paul, B. S. Wagh, 

R. B. Andrade 

9:10 487. Engineered immunity: Development 

of multivalent artificial opsonins for 

the treatment of nosocomial infections. 

K. N. Katzenmeyer, J. D. Bryers 

9:30 488. Identification and SAR of novel furan-free 

imidazopyridine ligands as selective 

adenosine A2A-antagonists for Parkinson 

disease. S. Schann, S. Mayer, 

L. Cardona, S. Gardan, N. Hubert, 

A. Haberkorn, E. Steinberg, L. Baron, 

C. Franchet, P. Neuville 

9:50 489. Discovery of BKM120, a pan class 

I PI3 kinase inhibitor in phase I/II clinical 

trials. M. T. Burger, S. Pecchi, 

A. Wagman, Z. Ni, M. Knapp, G. Atallah, 

K. Pfister, S. Ng, A. Smith, T. Pick, 

K. Frazier, J. Verhagen, Y. Zhang, 

S. Bartulis, T. Hendricksen, E. Iwanowicz, 

J. Hazenadar, K. Huh, A. Ashash, X. Xin, 

D. Menezes, H. Merritt, M. Wiesmann, 

C. Voliva 

10:10 490. Design and synthesis of dual 

adenosine A 2A/A 1 antagonists for the 

treatment of Parkinson’s disease. 

B. C. Shook 

10:30 491. Synthesis and biological activity 

of 2H-quinolizin-2-one based p38-a MAP 

kinase inhibitors. R. M. Tynebor, 

M. Chen, S. R. Natarajan, E. A. O’Neill, 

J. E. Thompson, C. E. Fitzgerald, 

S. J. O’Keefe, J. B. Doherty 

10:50 492. Evaluation of 4-cyano-4-arylpiperidine 

quinolizidinone carboxylic acid 

selective M 1 positive allosteric receptor 

modulators. S. D. Kuduk,R.K.Chang, 

C. N. Di Marco, D. R. Pitts, W. J. Ray, 

L. Ma, M. Wittmann, M. A. Seager, 

K. A. Koeplinger, C. D. Thompson, 

G. D. Hartman, M. T. Bilodeau 

11:10 493. Discovery of the potent PI3K/ 

mTOR dual inhibitor PF-04979064. 

H. Cheng, S. Bagrodia, S. Bailey, 

S. M. Baxi, L. Goulet, L. Guo, J. Hoffman, 

T. O. Johnson, T. W. Johnson, C. Li, J. Li, 

K. Liu, Z. Liu, M. A. Marx, G. Paderes, 

S. Sun, M. Walls, P. A. Wells, A. Yang, 

M. Yin, J. Zhu 

11:30 494. Identification of PKI-179 as a potent 

and orally efficacious PI3 kinase inhibitor 

for the treatment of cancer. 

Z. Chen, A. M. Venkatesan 

11:50 495. Design and synthesis of tricyclic 

sulfones as g-secretase inhibitors with 

greatly reduced Notch toxicity. R. Xu, 

D. Cole, T. Asberom, T. Bara, C. Bennett, 

D. A. Burnett, J. Clader, M. Domalski, 

W. Greenlee, L. Hyde, H. Josien, H. Li, 

M. McBriar, B. McKittrick, A. T. McPhail, 

D. Pissarnitski, L. Qiang, M. Rajagopalan, 

T. Sasikumar, J. Su, H. Tang, W. Wu, 

L. Zhang, Z. Zhao 

12:10 496. Discovery of PPIs using chemical 

feature-based pharmacophore models. 

T. Langer 

Section B 


Room 253A/B 

Pharmacological Manipulation of 

Endocannabinoid Degradation 

J. Breitenbucher, S. McAlpine, Organizers, 

Presiding 


8:40 497. Targeting endogenous cannabinoid 

catabolic enzymes in preclinical 

models of pain. A. H. Lichtman 

9:20 498. Discovery of a novel series of potent, 

non-covalent fatty acid amide hydrolase 

(FAAH) inhibitors through rational 

design. D. J. Gustin,Z.Ma,Y.Li, 

C. Hedberg, X. Min, C. Guimaraes, 

Z. Wang, N. Walker, M. Lindstrom, 

R. Connors, A. C. Porter, 

D. Lester-Zeiner, F. Kayser 

10:00 499. Inhibitors of fatty acid amide hydrolase 

(FAAH): SAR and results in preclinical 

pain models. M. S. Tichenor, 

J. M. Keith, R. L. Apodaca, W. Xiao, 

W. Jones, A. L. Chambers, M. Seierstad, 

J. Pierce, J. A. Palmer, M. Webb, 

M. J. Karbarz, L. Chang, S. J. Wilson, 

L. Luo, M. L. Wennerholm, S. M. Brown, 

M. Rizzolio, R. Rynberg, B. P. Scott, 

J. Breitenbucher, S. R. Chaplan 

10:40 500. Discovery of PF-04457845, an irreversible 

FAAH inhibitor with exquisite 

selectivity. D. S. Johnson 

11:20 501. Discovery and development of 

inhibitors of fatty acid amide hydrolase 

(FAAH). D. L. Boger 



and MEDI 


Section A 


Room 259A/B 



1:30 502. Nicotinamide derivatives as novel, 

potent and orally active mGlu5 receptor 

antagonists. R. Glatthar, I. Vranesic, 

C. Spanka, D. Orain, S. Desrayaud, 

M. Fendt, D. Hoyer, Y. P. Auberson, 

K. H. McAllister, M. T. Wyss, A. Buck 

1:45 503. Development of long term manufacturing 

process for MK-0633 (Setileuton). 

H. Li, J. Balsells-padros, 

G. Humphrey, C. Chen, B. Cohen, 

D. J. Kumke, F. Gosselin, C. Nadeau, 

S. Dolman, P. O’Shea 

2:00 504. Apolipoprotein B-100: A 3-iodothyronamine 

(T1AM) binding protein. 

G. Roy, T. Scanlan 

2:15 505. Resorcinol-class HSP90 inhibitors 

for oral treatment in oncology. 

H. Eggenweiler, C. Sirrenberg, 

H. Buchstaller, M. Wolf, U. Grädler, 

J. März, D. Musil, E. Hoppe, 

A. Zimmermann, C. Amendt, 

H. Schwartz, J. Bomke, A. Wegener, 

T. Mohr, H. Bauer, M. Brändle, 

M. Braendle, J. Gleitz, N. Huebler, 

T. Selzer 

2:30 506. Design and synthesis of potent, 

dual action p53/MDM2/MDMX antagonists 

for the treatment of cancer. 

K. Wang, W. Wang, G. M. Popowicz, 

A. Czarna, S. Wolf, D. Alexander, 

T. A. Holak 

2:45 507. Synthesis and evaluation of hadacidin 

analogs. N. Tibrewal, G. I. Elliott 

3:00 508. Trypanosomal target of rapamycin: 

Repurposing of mammalian TOR inhibitors 

for neglected disease drug discovery. 

C. E. Hubbard, S. M. Beverley, 

R. Diaz, L. Madeira da Silva, M. Navarro, 

M. J. Ondrechen, Z. Wang, M. P. Pollastri 

3:15 509. Discovery of a fluorescent cyclindependant 

kinase inhibitor with potent 

antiproliferative activity in human breast 

cancer cells. V. M. Yenugonda, 

T. B. Deb, S. C. Grindrod, 

S. Dakshanamurthy, Y. Yang, M. Paige, 

M. L. Brown 

3:30 510. Discovery of phenoxy thiophene 

sulfonamides as new potentiators of 

Nerve Growth Factor (NGF)-induced neurite 

outgrowth. A. L. Williams, 

S. R. Dandepally, N. Gilyazova, 

S. M. Witherspoon, G. Ibeanu 

3:45 511. Synthesis, SAR and biological 

evaluation of novel benzimidazoles targeting 

FtsZ for drug discovery of efficacious 

antitubercular agents. K. Kumar, 

D. Awasthi, B. Ruzsicska, P. J. Tonge, 

R. A. Slayden, I. Ojima 

4:00 512. De novo purine biosynthesis as a 

novel antibiotic target. H. Paritala, 

J. B. Thoden, H. M. Holden, 

S. M. Firestine 

4:15 513. Imaging of amyloid beta species 

by using spectral unmixing with a “smart” 

fluorescence probe. C. Ran,A.Moore 

4:30 514. New potential drug against obesity: 

Design and synthesis of ghrelin receptor 

antagonists. A. Blayo, J. Martinez, 

J. Fehrentz 

4:45 515. Inhibitors of protein-amyloid interactions 

protect cells from �-amyloid-induced 

oxidative stress and toxicity. 

L. K. Habib, J. Yang 



and MEDI 





MEDI 

TECH–81

NUCL TECHNICAL PROGRAM 

NUCL 

Division of Nuclear 

Chemistry and 

Technology 

S. Jurisson, Program Chair 






PM: Sun 


Section A 


Room 109A 

Radiochemistry at the Facility for Rare 

Isotope Beams 

Science and Production of Rare Isotopes 

M. Stoyer, Organizer 

P. Mantica, Organizer, Presiding 

8:00 1. Overview of the Facility for Rare Isotope 

Beams. B. Sherrill 

8:30 2. Computing atomic nuclei. 

W. Nazarewicz 

9:00 3. Current and future needs for isotopes 

critical to research and industry. 

W. Runde 


9:45 4. Isotope production at high energy: 

Lessons for FRIB. L. F. Mausner 

10:15 5. Isotope production at the Los 

Alamos Isotope Production Facility. 

K. John 

10:45 6. Current and future use of radionuclides 

produced from nuclear reactors for 

medical applications. C. S. Cutler, 

A. R. Ketring 

11:15 7. Transuranium target based Superheavy 

Element research at GSI. 

C. E. Duellmann 


Section B 


Room 109B 

Graduate Student Symposium in Nuclear 

and Radiochemistry 

P. Benny, Organizer 

J. Robertson, Organizer, Presiding 

8:00 8. Applicability of intrinsic dosimetry to 

waste management and nuclear forensics. 

R. A. Clark, S. D. Miller, 

J. D. Robertson, J. M. Schwantes 

8:25 9. Assessing thermochromatography 

as a separations method for nuclear forensics: 

Current capability vis-à-vis forensic 

requirements. D. E. Hanson, 

J. R. Garrison, H. L. Hall 

8:50 10. Neutron-capture gamma-ray studies 

for levels in 75,77 Ge and 81,83 Se. 

N. E. Sharp, C. J. Chiara, W. B. Walters, 

R. T. Bindel, R. L. Paul 

9:15 11. Cathodoluminescent signatures of 

neutron irradiation. D. K. Silletti, 

J. D. Borycz, S. A. Brokus, 

P. A. DeYoung, J. Buscaglia, 

G. F. Peaslee 

82–TECH 


9:40 12. Monte Carlo analysis of thermochromatography 

for nuclear forensics applicability. 

J. R. Garrison,D.E.Hanson, 

H. L. Hall 


10:20 13. Azimuthal anisotropy of unidentified 

charged hadrons at forward rapidity 

in PHENIX at RHIC. E. Richardson 

10:45 14. Development of a gas stopping 

cell for heavy element chemistry research 

at the Texas A&M Cyclotron Institute. 

M. C. Alfonso, C. M. Folden 

11:10 15. Experimental study of partitioning 

and reactive transport of uranium through 

a graphite matrix. G. Schmidt, 

G. Cerefice 

11:35 16. Extractive chromatography for the 

treatment of used nuclear fuel. 

M. D. Gott, D. D. Ensor 

12:00 17. Determination of Tc-99 concentration 

in water, soil, and vegetation samples 

at Savannah River National Lab. 

J. McCormick, S. Jurisson, D. Beals, 

G. Fugate, H. Brandt 


Section B 


Room 109B 

New Directions in Isotope Production, 

Nuclear Forensics and Radiochemistry 

Nuclear Forensics Education Award 

Program Financially supported by U.S. 

Department of Energy 

C. Williamson, Organizer 

M. Walsh, Presiding 


1:05 18. The Nuclear Forensics Education 

Award Program. S. Kentis, T. Black, 

D. Velaquez 

1:25 19. Defense Threat Reduction Agency 

radiochemical needs. M. A. Walsh, 

D. L. Velaquez 


2:00 20. Master’s-level certificate program 

in nuclear forensics at Texas A&M University. 

C. M. Folden, W. S. Charlton, 

D. G. Ford, P. Kuchment, W. Rundell, 

R. E. Tribble 

2:20 21. NFEAP at the University of Missouri- 

Columbia. J. D. Robertson, 

S. S. Jurisson, S. Z. Lever 

2:30 22. NFEAP at the University of Texas- 

Austin. S. Landsberger, S. Biegalski, 

L. Sentis 

2:40 23. Radiochemistry and nuclear forensics 

education at Washington State University. 

S. B. Clark 


3:05 24. Nuclear forensics student activities 

at the Savannah River National Laboratory. 

D. Beals 

3:15 25. Nuclear and radiological forensics 

at Argonne National Laboratory. 

M. Goldberg 

3:25 26. Nuclear forensics at Idaho National 

Laboratory. M. Finck 

3:35 27. Nuclear forensics at Lawrence Livermore 

National Laboratory. A. Kersting 

3:45 28. Nuclear forensics at Oak Ridge National 

Laboratory. B. D. Patton 

3:55 29. Nuclear forensics at Pacific Northwest 

National Laboratory. J. Schwantes 

4:05 30. Nuclear forensics at Los Alamos 

National Laboratory. C. Burns 


4:30 31. Nuclear Forensics Graduate Fellowship 

Program at Penn State University. 

J. H. Rim 


Program at TAMU. J. C. Miller 


Program at Georgia Institute of 

Technology. J. L. Steeb 


Program at the University of 

Texas. C. J. Weaver 


Section A 


Room 109A 



Radiochemistry Financially supported by U.S. 


M. Welch, P. Srivastava, Organizers, 

Presiding 


1:35 35. Radiotracer chemistry and molecular 

imaging with carbon-11 and fluorine-18. 

J. S. Fowler 

2:05 36. Solid-phase approach for radioiodination 

of aromatic biomolecules from organotin 

precursors. A. N. Gifford, 

C. Shea, J. S. Fowler 

2:20 37. Preparation of anhydrous 18 F-fluoride. 

T. Tewson 

2:35 38. Novel ways to study defense-induced 

carbon allocation and metabolic 

partitioning in plants using 2-[ 18 F]fluoro- 

2-deoxy-D-glucose. A. Ferrieri, M. Best, 

H. Appel, J. Schultz, R. A. Ferrieri 

2:50 39. Silicon-fluoride functionalized small 

molecule hormones: Prospects for PET 

imaging of estrogen receptors with 

Si-F-18 labeled ligands. S. Kim, 

V. M. Carroll, J. A. Katzenellenbogen, 

M. J. Welch, C. Dence, D. Zhou 


3:20 40. Estrogen-dendrimer conjugate labeled 

with fluorine-18 for PET imaging. 

S. Kim, V. M. Carroll, 

J. A. Katzenellenbogen, M. J. Welch, 

C. Dence, D. Zhou 

3:35 41. Isotope incorporation using solid 

state boron reagents. G. W. Kabalka, 

L. Yong, M. Yao 

3:50 42. PET imaging of thin objects: Measuring 

the effects of positron range and 

partial volume averaging in the leaf of 

Nicotiana tabacum. D. Alexoff, S. Dewey, 

P. Vaska, S. Krishnamoorthy, R. Ferrieri, 

M. Schueller, D. J. Schlyer, J. Fowler 

4:05 43. Improved synthesis of 2�-deoxy-2�- 

[ 18 F]fluoro-5-methyl-1-�-D-arabinofuranosyluracil 

( 18 F-FMAU). Z. Li,H.Cai, 

P. S. Conti 

4:20 44. New uses of carbon-11 synthons: 

11 CO2,H 2 11 CO, and H 11 CN. 

J. M. Hooker 

4:35 45. Training for the development of 

novel radiotracers for interrogations of biological 

systems. S. S. Jurisson, 

S. Z. Lever, J. D. Robertson, R. Ferrieri, 

C. Cutler, T. Glass, M. Harmata, T. Quinn, 

L. Song, P. Cavins, R. Sun 


Section A 


Room 109A 


Isotope Beams 

Surrogates and Targets 

P. Mantica, Organizer 

M. Stoyer, Organizer, Presiding 

8:00 46. Role of radioactive beams in stockpile 

stewardship science. E. Hartouni 

8:30 47. Is there a surrogate for neutron 

capture? J. A. Cizewski 

9:00 48. Surrogate ratio method measurements 

in the actinide region. 

C. W. Beausang 


9:45 49. Cross section measurements using 

direct reactions at FRIB. J. T. Burke, 

N. D. Scielzo, J. J. Ressler, J. E. Escher, 

I. J. Thompson, R. A. Henderson, 

D. L. Bleuel, R. J. Casperson, 

L. A. Bernstein, M. Wiedeking, 

L. W. Phair, S. Basunia, R. Hatarik, 

E. B. Norman, J. Munson, 

B. F. Lyles-Goldblum, C. Beausang, 

T. Ross, R. Hughes, S. Paschalis, M. Petri 

10:15 50. Reaction measurements on and 

with radioactive isotopes for nuclear astrophysics. 

R. Reifarth 

10:45 51. FRIB isotope production for rare 

targets. J. Ressler 

11:15 52. Uranium carbide targets for radioactive 

ion beams: Review and new developments. 

T. Stora 


Section B 


Room 109B 



J. Robertson, Organizer 

P. Benny, Organizer, Presiding 

8:30 53. Effect of radiolysis on the yield of 

Mo from the Cintichem process. 

M. F. McLaughlin, J. D. Robertson 

8:55 54. 64 Cu-labeled somatostatin analogs 

as diagnostic and therapeutic agents. 

K. Nguyen, J. Parry, A. Chang, 

A. Zheleznyak, C. Sherman, B. E. Rogers, 

C. J. Anderson 

9:20 55. N2S2 ligands (ligands with two nitrogen 

donors and two sulfur donors) for 

chelating oxorhenium(V): Successes and 

failures. D. W. Demoin,T.J.Hoffman, 

S. S. Jurisson 

9:45 56. Optimization of the synthesis of binary 

technetium halides. 

E. V. Johnstone, F. Poineau, 

K. R. Czerwinski, A. Sattelberger 


10:25 57. Development of a tetrathioether 

bifunctional chelate system for 105 Rh. 

V. N. Carroll, T. Hoffman, S. Jurisson 

10:50 58. Investigation of the radiation effects 

and redox stability of M(CO)3 (M � 

Re, Tc-99m) amino acid complexes in 

aqueous solution. K. M. Johnstron, 

S. Mezyk, A. Wemple, C. M. Jewett, 

P. D. Benny 

11:15 59. Measurement of trace elements 

during the development and immune response 

of Heliothis virescens larvae. 

R. Sun, H. R. Popham, K. S. Shelby, 

J. D. Robertson 


the Interface 







Section A 


Room 109A 



Radiochemistry Financially supported by U.S. 


M. Welch, Organizer 

P. Srivastava, Organizer, Presiding 

J. Fowler, Presiding 


1:35 60. Radiochemistry and applications of 

nonstandard positron emitting radionuclides. 

M. J. Welch 






consent from ACS.

2:05 61. Applications of PET imaging toward 

bioremediation and geochemical studies. 

N. T. Vandehey, S. E. Taylor, J. P. O’Neil 

2:20 62. Digital microfluidics: Toward a 

bench-top platform for on-demand radiosynthesis 

of diverse PET tracers. 

P. Y. Keng, H. Ding, S. Chen, S. Sadeghi, 

G. J. Shah, M. E. Phelps, N. Satyamurthy, 

C. Kim, R. M. van Dam 

2:35 63. Design and synthesis of molecular 

and nanoparticulate probes: A training 

program in radiochemistry and radiotracer 

development. R. N. Hanson 

2:50 64. In-vitro stability measurement of 

Cu-64 complexes of bifunctional chelators. 

V. Maheshwari, J. Dearling, 

T. S. Treves, A. B. Packard 


3:20 65. Microfluidic radiometal labeling 

systems for biomolecules. D. Zeng, 

D. E. Reichert, T. Wheeler, A. Desai, 

P. J. Kenis 

3:35 66. Preparation of a copper-64 labeled 

somatostatin analog using a phosphonic 

acid derivative of cross-bridge cyclam as 

the chelator. Y. Guo, R. Ferdani, 

C. J. Anderson 

3:50 67. Preparation and biological evaluation 

of 64 Cu labeled AmBaSar-RGD peptide 

for improved microPET imaging of integrin 

�v�3 expression. H. Cai, Z. Li, 

C. Huang, R. Park, A. Shahinian, 

P. S. Conti 

4:05 68. Novel bifunctional chelators for 

Cu-64 radiolabeling and PET imaging. 

S. Jain, X. Sun, H. A. Song, S. E. Lapi, 

M. J. Welch, H. Chong, B. E. Rogers 

4:20 69. Synthesis and chemical stability of 

actinium-fullerenes. J. Mwakisege, 

G. Schweitzer, R. Boll, S. Mirzadeh 

4:35 70. Optimization of solid-phase approaches 

for radiolabeled peptides. 

S. H. Hausner, R. D. Carpenter, 

J. B. White, J. L. Sutcliffe 

4:50 71. New approaches for reduction of 

99 

Tc pertechnetate: Potential applications 

in environmental remediation and 

extension to reduction of 188 Re perrhenate 

for radiopharmaceutical applications. 

D. McGregor, B. P. Burton-Pye, 

I. M. Mbomekalle, W. W. Lukens, 

L. C. Francesconi 


the Interface 





PRES 


Section A 


Room 109A 


Isotope Beams 

Applications 

M. Stoyer, P. Mantica, Organizers 

B. Sherrill, Presiding 

8:00 72. Neptunium and plutonium borates. 


8:30 73. Aqueous chemistry of technetium-99 

polyoxometalates: Understanding 

fundamental chemistry of technetium-99 

incorporated into metal oxide 

matrices. B. P. Burton-Pye, D. McGregor, 

I. M. Mbomekalle, W. W. Lukens, 

F. Poineau, E. Mausolf, 

L. C. Francesconi 

9:00 74. Radioistopes in plant science: 

Meeting global challenges in sustainability. 

R. A. Ferrieri 


9:45 75. Opportunities for the production of 

medical isotopes with FRIB. S. E. Lapi, 

M. J. Welch 

10:15 76. Accelerator mass spectrometry: 

Current status, new developments, and 

opportunities with FRIB. P. Collon 

10:45 77. Beta-NMR facility at TRIUMF: 

New tools for materials science at the 

nanoscale. M. Andrew, G. Morris 

11:15 78. 7-Be implantation in plastics for 

prosthesis wear studies. U. Greife, 

L. Erikson, N. Patel, M. Wimmer, 

Y. Dwiwedi, M. Laurent, K. Chipps, 

J. Blackmon, R. Kozub, D. Bardayan, 

C. Gross, D. Stracener, M. Smith, 

C. Nesaraya, E. Rehm, I. Ahmad, 

J. Greene 


Section B 


Room 109B 



J. Robertson, Organizer 

P. Benny, Organizer, Presiding 

8:00 79. Investigation of actinide solubility in 

brines using XAFS. D. Olive,D.Reed, 

J. Terry 

8:25 80. Using polymer ligand films for rapid 

radiochemical sample preparation for alpha 

spectrometry. C. L. Tulley, 

E. R. Gonzales, C. E. Armenta, 

J. A. Hererra, D. S. Peterson 

8:50 81. U(VI) and Sr(II) speciation at the 

silica/water interface determined by second 

harmonic generation. J. N. Malin, 

F. M. Geiger 

9:15 82. Lanthanide and actinide extraction 

from carboxylic acid media by Cyanex® 

923. J. H. Hines,K.L.Nash 

9:40 83. Calorimetric and time resolved fluorescence 

spectroscopy of Eu(III) complexation 

with �-hydroxyisobutyric acid in a 

mixed 1, 4-dioxane/water media. 

M. R. Kriz, Z. Wang, K. L. Nash 


10:20 84. Radiolytic behavior of neptunium 

in nitric acid in the presence of HNO 2 

scavengers. M. Precek, A. Paulenova 

10:45 85. Synthesis and structural characterization 

of actinide phosphonate compounds: 

A comparative study of Th(IV) 

and U(VI) complexes. P. O. Adelani, 


11:10 86. Determination of plutonium interactions 

with aluminum-substituted goethite 

using X-ray absorption spectroscopy. 

D. L. Wang,Y.Hu, 

L. K. Schwaiger, H. Nitsche 

11:35 87. Chromatographic materials for the 

separation of actinides and lanthanides. 

K. F. York, D. D. Ensor 


Section A 


Room 109A 



Science and Technology for Making 

Isotopes Financially supported by U.S. 


D. Phillips, Organizer 

D. Wilbur, R. Atcher, Presiding 


1:35 88. The National Isotope Development 

Center. R. Atcher 

1:50 89. Production of thorium-229 in a proton 

accelerator. M. A. Garland, 

D. W. Stracener, R. A. Boll, 

S. L. Holbrook, S. Mirzadeh, J. R. Beene 

2:05 90. Alternate method for production of 

Ac-225. J. Harvey, J. A. Nolan, T. Kroc, 

I. Gomes, P. Horwitz, D. McAlister 

2:20 91. Accelerator-based production of 

the therapy isotope 225 Ac. F. M. Nortier, 

J. W. Weidner, H. T. Bach, K. D. John, 

A. Couture, J. L. Ullmann, 

M. E. Fassbender, G. S. Goff, W. Taylor, 

F. Valdez, L. E. Wolfsberg, M. Cisneros, 

D. Dry, M. Gallegos, R. Gritzo, 

L. J. Bitteker, S. Wender, R. S. Baty 

2:35 92. LaPO 4 nanoparticles doped with 

Actinium-225 that partially sequester 

daughter radionuclides. 

J. D. Woodward, S. J. Kennel, 

A. Stuckey, D. Osborne, J. Wall, 

A. J. Rondinone, R. F. Standaert, 

S. Mirzadeh 

2:50 93. Recovery of actinium-227 from legacy 

actinium-beryllium neutron sources. 

M. Du, C. W. Alexander, R. A. Boll 


3:20 94. Ionic liquids as solvents for improved 

production of radioisotopes. 

H. Luo, J. R. Bell, R. A. Boll, 

D. W. Depaoli, S. Dai 

3:35 95. Assessing the wet chemistry approach 

for isolation of astatine-211 from 

irradiated bismuth targets. D. Wilbur, 

D. K. Hamlin, M. Chyan, D. Dadachov 

3:50 96. Accelerator production of Astatine- 

211 from molten metallic Bismuth targets. 

M. C. Lagunas-Solar 

4:05 97. Production of alpha-particle emitting 

At-211 at the Texas A&M Cyclotron 

Institute. V. Bhakta, G. Akabani, 

A. Alharbi, R. Tribble 

4:20 98. Production of 64 Cu from irradiated 

64 Ni. J. Robertson, A. Y. Garnov, 

L. A. Saale, M. D. Weichelt 

4:35 99. Production of radioisotope Cu 67 

with high specific activity at Brookhaven 

Linac Isotope Producer. 

D. G. Medvedev, L. F. Mausner, 

C. J. Dodge 

4:50 100. Improved purification process for 

production of gadolinium-153. 

A. M. Johnson, C. Z. Soderquist, 

B. K. McNamara, D. R. Fisher 


Section B 


Room 109B 

Aqueous Chemistry and Thermodynamics 

of Actinides and Fission Products: A Tribute 

to Volker Neck 

H. Nitsche, H. Geckeis, Organizers 

T. Fanghänel (Fanghaenel), Organizer, 

Presiding 

A. Seibert, Presiding 


8:05 101. Aqueous chemistry and thermodynamics 

of plutonium. T. Fanghänel, 

V. Neck, M. Altmaier 

8:35 102. Actinide chemistry in aqueous 

systems at high ionic strength. 

M. Altmaier 

9:05 103. High ionic-strength subsurface 

chemistry of actinides. D. T. Reed, 

M. Borkowski, M. K. Richmann, 

J. Lucchini, J. Swanson, D. Ams, 

H. Khaing 


9:50 104. Hydrolysis of Pu(VI) at elevated 

temperatures. L. Rao, G. Tian, 

P. Di Bernardo, P. Zanonato 

10:20 105. Thermodynamic approach for 

predicting actinide concentrations in 

leachates from radioactive waste glasses. 

D. Rai,M.Yui 

10:50 106. Speciation of polynuclear An(IV) 

complexes by electrospray mass-spectrometry. 

C. Walther 

11:20 107. Hydration of gas phase ytterbium 

ion complexes studied by experiment 

and theory. P. X. Rutkowski, 

M. Michelini, T. H. Bray, J. Marçalo, 

J. K. Gibson 

Section A 


Room 109A 

Applications of Radionuclides in Imaging 

and Therapy 

Fluorine-18 and Carbon-11 

A. Packard, M. Lewis, Organizers, 

Presiding 

8:30 108. Engineered antibody fragments 

for immunoPET: Optimization of F-18 labeled 

diabodies. E. J. Lepin, K. Liu, 

M. W. Wang, S. J. Sirk, R. M. Van Dam, 

C. K. Shen, A. M. Wu 

8:50 109. Biodistribution and radiation dosimetry 

of amyloid � plaque imaging 

agent 18F-W372 measured in healthy 

volunteers. J. Q. Yu,M.Doss, 

R. K. Alpaugh, J. C. Walsh, Z. Zhu, 

A. Chaudhary, H. Kolb, T. Morrison 

9:10 110. Design, synthesis and structure 

dependence of 18-[ 18 F]fluoro-thia-fatty 

acids as myocardial fatty acid oxidation 

probes. M. K. Pandey,A.P.Belanger, 

S. Wang, T. R. DeGrado 

9:30 111. F-18 radiolabeled rhodamine derivatives 

as potential myocardial perfusion 

tracers for positron emission tomography. 

M. D. Bartholomä, 

V. Gottumukkala, A. Baker, P. Dunning, 

F. H. Fahey, S. T. Treves, A. B. Packard 


10:10 112. Microwave-assisted [ 18 F]fluorination 

of fatty acid analog PET probes. 

A. P. Belanger, M. Pandey, 

T. R. DeGrado 

10:30 113. Rapid 11 C-methylation of sluggishly 

reactive arylamines, pyrroles, and 

amides with [ 11 C]methyl iodide under the 

influence of solid bases and ultrasound. 

L. Cai, R. Xu, S. Guo, V. W. Pike 

10:50 114. Synthesis and positron emission 

tomography studies of three C-11 labeled 

carboxylic acid drugs, [ 11 C]butyric acid, 

[ 11 C]valporic acid, [ 11 C]4-phenylbutyric 

acid. S. Kim, J. M. Hooker, D. Alexoff, 

N. Otto, K. Win, N. Volkow, J. S. Fowler 

11:10 115. HDAC imaging probes for 

positron emission tomography. 

H. V. Diyabalanage,J.M.Hooker 


Section A 


Room 109A 



Isotope Production Financially supported by 

U.S. Department of Energy 


M. Lagunas-Solar, S. Mirzadeh, Presiding 


1:35 116. Development of high specific activity 

radionuclides. S. S. Jurisson, 

C. Cutler, A. Ketring, F. M. Nortier, 

J. Kitten, W. Taylor, K. John, 

M. Fassbender 

1:50 117. New research program for medical 

radioisotope production at the Cyclotron 

Institute, Texas A&M University. 

A. A. Alharbi, M. McCleskey, A. Spiridon, 

B. Roeder, E. Simmons, A. Azzam, 

A. Banu, G. Tabacaru, V. Goldberg, 

L. Trache, R. E. Tribble 

2:05 118. Development of innovative radioactive 

isotope production techniques at 

the Pennsylvania State University Radiation 

Science and Engineering Center. 

K. Ünlü, B. Heidrich 

2:20 119. Burn-up cross-sections of reactor 

produced medical and industrial radioisotopes. 

S. Mirzadeh, M. Garland, R. Boll, 

R. Knapp 

2:35 120. Recovery and purification of zirconium-93 

from special high-burnup targets. 

M. Du, C. W. Alexander 





NUCL 

TECH–83

NUCL/ORGN TECHNICAL PROGRAM 

2:50 121. Reactor-based fission production 

of Molybdenum-99 from LEU solution targets. 

M. C. Lagunas-Solar 


3:20 122. Subcritical hybrid intense neutron 

emitter (SHINE): An innovative method to 

produce 99 Mo. G. R. Piefer 

3:35 123. 122 Xe/ 122 I Generator development: 

Short-lived PET isotope availability. 

J. P. O’Neil, T. F. Buddinger 

3:50 124. Compact, low-cost radioisotope 

production with electromagnetic particle 

accelerators. G. B. Rieker, 

F. Poehlmann, M. Cappelli 

4:05 125. Isotope production for medical 

usage Fast neutron reactions in JAEA. 

Y. Hatsukawa 

4:20 126. Novel nucleosynthesis for medical 

isotopes. C. Tahan 

4:35 127. Electromagnetic systems for production 

of stable isotopes. A. Wong, 

G. Paskalov, R. McCaughey, R. Wang, 

J. Chen 


Section B 


Room 109B 

Aqueous Chemistry and Thermodynamics 

of Actinides and Fission Products: A Tribute 

to Volker Neck 

H. Nitsche, H. Geckeis, T. Fanghänel 

(Fanghaenel), Organizers 

A. Felmy, M. Altmaier, Presiding 

8:00 128. Solubility, surface charge, ion adsorption 

and dissolution/precipitation kinetics 

of oxides in hydrothermal solutions. 

D. J. Wesolowski 

8:30 129. Redox transformations of PuO 2�x 

induced by Fe(II): Importance of the Fe(III) 

reaction product. A. R. Felmy, 

S. D. Conradson, E. S. Ilton 

9:00 130. Radiation assisted reactions at a 

PuO 2 - water interface. A. Seibert, 

T. Gouder, F. Huber 

9:30 131. Radiation effects on the separation 

of technetium-99 by macrocompounds. 

A. Roman, K. Campbell, 

E. Brown, A. Nunez, a. Espartero, 

P. Paviet-Hartmann 


10:10 133. Nitric acid radiation effects on 

solvent extraction chemistry. 

T. D. Cullen, S. P. Mezyk, G. Elias, 

B. J. Mincher 


10:45 134. Some reflections and thoughts 

after 25 years developing thermodynamic 

data bases for nuclear waste management 

and other environmental applications. 

J. Bruno,L.Duro 

11:15 135. THEREDA: The thermodynamic 

reference database for nuclear waste disposal 

in Germany. H. C. Moog, 

H. Herbert, V. Brendler, A. Richter, 

M. Altmaier, C. Marquardt, W. Voigt, 

S. Wilhelm 

11:35 136. Investigation of the radiolytic stability 

of DTPA under TALSPEAK conditions. 

D. K. Gaskins, S. P. Mezyk, 

L. R. Martin 

11:55 137. Mixed-ligands complexes of 

trivalent Am 3� ,Cm 3� and Eu 3� with 

HEDTA�NTA-complexation thermodynamics 

and structural aspects. 

P. Thakur, G. R. Choppin, J. L. Conca 


84–TECH 


Section A 


Room 109A 


and Therapy 

Multimodality, Therapy, and Other 


Presiding 

9:00 138. Multimodal imaging probes for fibrin. 

R. Uppal, P. Caravan 

9:20 139. Radiolabeled Sonic Hedgehog as 

a ligand targeting cancer stem cells. 

I. Tworowska, J. Sims-Mourtada 

9:40 140. Selection of small pretargeting 

molecules with affinity for radiochelates. 

N. Sisay, S. S. Jurisson, G. P. Smith 


10:15 141. In vitro and in vivo evaluations of 

177 Lu antisense radiotherapy in B-cell 

non-Hodgkin’s lymphoma. E. R. Balkin, 

F. Jia, W. H. Miller, M. R. Lewis 

10:35 142. Radioiodinated maleimide derivatives 

targeting peripheral and membrane 

sulfhydryl groups for in vitro cell labeling. 

J. K. Amartey 

10:55 143. Successful multimodality nuclear 

and fluorescent tumor imaging in mice 

using a streptavidin nanoparticle. 

d. j. hnatowich, M. Liang, X. Liu, 

D. Cheng, G. Liu, S. Dou, Y. Wang, 

M. Rusckowski 


Section A 


Room 109A 


and Therapy 

Radiometals: Imaging 


Presiding 

1:00 144. Radiolabeled peptides for PET imaging: 

The impact of the bifunctional chelator. 

C. L. Ferreira, D. T. Yapp, R. Gill, 

C. Bensimon, P. Jurek, G. Kiefer 

1:20 145. microPET imaging of integrin � 2� 1 

expression using 64 Cu-labeled DGEA 

peptides. C. Huang, Z. Li,H.Cai, 

K. Chen, R. Park, T. Shahinian, 

P. S. Conti 

1:40 146. Comparative study of 64 Cu and 

67 Ga-bombesin antagonists as potential 

agents for prostate cancer imaging. 

P. K. Nanda, U. Pandey, B. N. Bottenus, 

S. R. Lane, T. L. Rold, G. L. Sieckman, 

T. J. Hoffman, C. J. Smith 


2:20 147. Highly stable functionalizable chelator 

for gallium isotopes. E. Boros, 

C. L. Ferreira, J. F. Cawthray, E. W. Price, 

D. W. Wester, M. J. Adam, C. Orvig 

2:40 148. Human islet cell imaging in mice 

by pretargeting using a DNA analog 

(MORF) conjugated antibody and a radiolabeled 

cMORF. G. Liu,S.Dou, 

D. Cheng, J. Leif, M. Rusckowski, 

P. Streeter, L. D. Shultz, D. L. Greiner, 

D. J. Hnatowich 

3:00 149. Targeting the prostate specific 

membrane antigen in prostate cancer 

with Tc-99m phosphoramidate inhibitors. 

P. D. Benny, J. Byers, M. Jabbes, 

C. Berkman, J. N. Bryan 

3:20 150. One-pot synthesis of trifunctional 

Tc-99m radioconjugates by click chemistry. 

T. L. Mindt, H. Struthers, B. Spingler, 

E. Garcia-Garayoa, D. Tourwé, R. Schibli 

ORGN 

Division of Organic 

Chemistry 

A. Abdel-Magid and S. Sieburth, 



Academic Employment Initiative (see 

AEI, Mon) 

Synthetic Chemistry for Biological 

Imaging, Quantitation, and Discovery 

(see BIOL, Sun) 

Natural Products Biosynthesis (see 

BIOL, Tue) 

Advances in Teaching Organic 

Chemistry (see CHED, Tue) 

Chemistry and Policy: Solving 

Problems at the Interface (see CHED, 

Mon) 

Undergraduate Research Posters: 

Organic Chemistry (see CHED, Mon) 


Social Hour, 8:00 PM: Sun 

Organic & Medicinal Chemistry 

Divisions Joint Poster Session & 

Social Event, 7:00 PM: Wed 

Tetrahedron Award Reception, 5:30 

PM: Mon 

Arthur C. Cope Award & Arthur C. 

Cope Scholars’ Awards Reception, 

5:30 PM: Tue 


Business Meeting, 5:00 PM: Sun 


Section C 


Room 206A 

New Reactions and Methodology 

S. Sieburth, Organizer 

L. Anderson, Presiding 

8:00 1. Hydroxyl group directed copper/ 

selectfluor-activated C-H bond amination. 

Z. Jin, J. C. Aponte, B. Xu, 

G. B. Hammond 

8:20 2. Recent advances in organic synthesis 

using real-time in situ FTIR (fourier 

transform infrared spectroscopy). 

D. Hebrault 

8:40 3. Multidimensional screening and 

methodology development of condensations 

involving complex 1,2-diketones. 

J. R. Goodell, A. B. Beeler, J. A. Porco, 

Jr. 

9:00 4. Water overcomes methyl group directing 

effects in endo-selective epoxideopening 

cascades. C. J. Morten, 

T. F. Jamison 

9:20 5. Preactivated unsymmetrical diboron: 

Catalytic regioselective boration of �,�unsaturated 

conjugated compounds. 

W. L. Santos,G.Ming,S.B.Thorpe 

9:40 6. TEMPO-coated Fe 3O 4 superparamagnetic 

nanoparticles: A recyclable catalyst 

for selective oxidation of alcohols. 

A. K. Tucker-Schwartz, R. L. Garrell 

10:00 7. N-triflylphosphoramides: From synthesis 

and applications in organocatalysis 

towards combined metal-Brønsted acid 

catalysis. R. M. Koenigs, M. Rueping 

10:20 8. C-H bonds as ubiquitous functionality: 

A general approach to complex imidazoles 

via regioselective sequential 

arylation of all three C-H bonds and regioselective 

N-alkylation of SEM-imidazoles. 

J. Joo, B. Touré, D. Sames 

10:40 9. Halogenation of hydrocarbon substrates 

with peracetic acid and halide 

salts. Y. He, C. R. Goldsmith 

11:00 10. Oxidative coupling reactions: New 

methods for the synthesis of carbogenic 

molecules. L. C. Konkol,R.J.Thomson 

11:20 11. Metal-free syn-dihydroxylation of 

alkenes. S. Picon,N.C.Tomkinson 

11:40 12. Greater than 99% site-isolation of 

phosphines and Pd using polydicyclopentadiene 

membranes. A. Gupta, 

N. B. Bowden 

12:00 13. Using catalytic scaffolding ligands 

for regio- and enantioselective hydroformylation. 

A. Worthy,C.Joe,K.Tan 

Section D 


Room 203 

Peptides, Proteins and Amino Acids 


J. Gao, Presiding 

8:00 14. Iterative elongation of small peptides 

for developing capture agents via 

reliable screening. J. Lim, J. Cha, S. Tan, 

Y. Zheng, Y. Ang, S. Lee 

8:20 15. Lanthanide sensitization and fluorescent 

sensing of A/T-rich DNA sequences 

and oncogenic bZIP transcription 

factors. E. Pazos, M. I. Sánchez, 

J. Mosquera, C. Penas, J. L. Mascareñas, 

M. Vázquez 

8:40 16. High throughput screening of cyclic 

peptides library to identify inhibitors 

against calcineurin/NFAT interaction. 

T. Liu,D.Pei 

9:00 17. Use of triazole-stapled BCL9/B9L 

�-helical peptides to target �-catenin and 

inhibit Wnt signaling. S. A. Kawamoto, 

A. Coleska, X. Ran, H. Yi, C. Yang, 

S. Wang 

9:20 18. Peptide-surface interactions. 

J. L. Kulp III, K. P. Fears, 

D. Y. Petrovykh, T. D. Clark 

9:40 19. Rationally designed cyclic sulfopeptides 

for HIV-1 entry inhibition. 

J. G. Rudick, M. M. Laakso, R. W. Doms, 

W. F. DeGrado 

10:00 20. Translocating membrane-impermeable 

toxins into cancer cells: pHLIPmediated 

delivery of phalloidin inhibits 

cell proliferation. M. An, D. Wijesinghe, 

O. A. Andreev, Y. K. Reshetnyak, 

D. M. Engelman 

10:20 21. Evolved aminoacyl-tRNA synthetases 

with unusual polyspecificities. 

D. D. Young, T. S. Young, I. Ahmad, 

P. G. Schultz 

10:40 22. Using NMR to characterize small 

selectively thionated pseudopeptides. 

W. M. Vizcaino, S. M. Schelble 

11:00 23. Application of thioacids in the 

chemical ligation of peptides. I. Sharma, 

D. Crich 

11:20 24. Formation of the 5,6-dihydrouridin-6-yl 

radical in RNA results in direct 

strand scission. M. J. Resendiz, 

A. C. Jacobs, M. M. Greenberg* 

11:40 25. Studying peptide aggregation with 

a series of phosphopeptide variants. 

N. M. Valette, S. E. Radford, S. A. Harris, 

S. L. Warriner 






consent from ACS.

12:00 26. Semisynthesis of chemically modified 

antibody fragments and glycoproteins 

with multiple N-linked glycosylation 

sites. T. J. Tolbert 

Section F 


Room 204B 

Asymmetric Reactions and Syntheses 


M. Bergdahl, Presiding 

8:00 27. Isothiourea-mediated stereoselective 

C-acylation of silyl ketene acetals. 

P. A. Woods, R. A. Bragg, A. D. Smith 

8:20 28. Tertiary amine-Lewis acid cooperative 

asymmetric catalysis. D. J. Dixon, 

F. Sladojevich, T. Yang, A. Ferrali 

8:40 29. Asymmetric synthesis of substituted 

homotropinone alkaloids from acyclic 

N-sulfinyl �-amino ketone ketals. 

F. A. Davis, R. Edupuganti 

9:00 30. Determination of the relative importance 

of Lewis-acid and Lewis-base catalysis 

in asymmetric catalysis using bifunctional 

catalysts. M. North, 

M. Omedes-Pujol, C. Williamson 

9:20 31. Asymmetric �-methoxyallylboration 

of ketones with the B-[(Z)-g-methoxyallyl]-10-phenyl-9-borabicyclo[3.3.2] 

decanes. L. A. Seda, J. A. Soderquist 

9:40 32. Reagent control in asymmetric allenylboration 

of nonracemic �-amino aldehydes 

with the 10-TMS-9-borabicyclo 

[3.3.2]decanes. J. M. Guzman, 

J. A. Soderquist 

10:00 33. Scaffolding ligands: A method for 

controlling regio- and stereochemistry in 

hydroformylation. K. Tan 

10:20 34. Synthesis of enantiomerically pure 

1,3-aminoalcohols through organo-, organometallic, 

and enzymatic catalysis. 

A. M. Träff, R. Millet, M. L. Petrus, 

J. Bäckvall 

10:40 35. Development of an asymmetric 

Michael-Benzoin cascade for the synthesis 

of functionalized cyclopentanones. 

K. E. Ozboya, T. Rovis 

11:00 36. Highly enantioselective phase 

transfer reactions with new cinchonium 

salts. B. A. Provencher,L.Deng 

11:20 37. Efficient preparation of chiral 

N-aryl �-amino acids. P. Hermsen, 

G. Busscher, L. Lefort, A. de Vries, 

H. de Vries 

11:40 38. Catalytic methods for enantioselective 

C–F bond formation with fluoride 

sources. A. Doyle 

Section E 


Room 204A 

Total Synthesis of Complex Molecules 


G. Florence, Presiding 

8:20 39. Development of a unified synthetic 

strategy to the polyprenylated acylphloroglucinols. 

Q. Zhang, J. A. Porco 

8:40 40. Total synthesis of the Lycopodium 

alkaloid (�)-sieboldine A. S. M. Canham, 

D. J. France, L. E. Overman 

9:00 41. Piperazic acids in natural products: 

Synthetic studies towards chloptosin and 

lydiamycin. A. J. Oelke, D. J. France, 

G. Wuitschik, T. Hofmann, S. V. Ley 

9:20 42. Toward the total synthesis of the 

brasilinolides. C. J. Cordier, 

M. P. Housden, P. M. Burton, 

F. A. Mühlthau, O. Loiseleur, I. Paterson 

9:40 43. Total synthesis of (-)-virginiamycin 

M 2 using atom-economical and chemoselective 

approaches. J. Wu 

10:00 44. Studies toward the total synthesis 

of dideoxy lomaiviticinone. 

A. Baranczak, G. A. Sulikowski 

10:20 45. Asymmetric catalytic formal synthesis 

of the anti-angiogenic polyketide 

(–)-Borrelidin. A. V. Madduri, 

A. J. Minnaard 

10:40 46. Progress toward the synthesis of 

the parnafungins. Q. Zhou,B.B.Snider 

11:00 47. Total synthesis of (�)-SCH 

351448. K. Zhu 

11:20 48. Synthesis, characterisation, and in 

vitro cytotoxic activitiy of some Ru(II) 

complexes. S. Thota, s. s. karki, 

E. d. clercq, j. balzarini 

Section G 


Room 207 

Physical Organic Chemistry: Calculations, 

Mechanisms, Photochemistry and High- 

Energy Species 


R. McCulla, Presiding 

8:20 49. 2-Anthryltriazolyl-containing multidentate 

ligands: Zinc-coordination mediated 

photophysical processes and thier 

potential application in live-cell imaging. 

H. A. Michaels,L.Zhu 

8:40 50. How solvent modulates hydroxyl 

radical reactivity in hydrogen atom abstractions. 

S. Mitroka, S. Zimmeck, 

D. Troya, J. M. Tanko 

9:00 51. Challenges posed to bornyl diphosphate 

synthase: Diverging reaction mechanisms 

in monoterpenes. D. T. Major, 

M. Weitman 

9:20 52. Insights into the formation and 

isomerization of the benzene metabolite 

muconaldehyde and related molecules: 

Comparison of computational and experimental 

studies of simple, benzo-annelated, 

and bridged 2,3-epoxyoxepins. 

J. P. Morgan, A. Greenberg 

9:40 53. Inverse isotope effect in the Co catalyzed 

synthesis of hydrocarbons from 

CO and H 2. B. Shi,C.Jin 

10:00 54. Computational approach to predicting 

gas diffusion in organic cages. 

D. Holden, A. Trewin, A. Cooper 

10:20 55. Isomerization of cis-1,2-dimethylcyclohexane 

in shock tube experiments. 

C. M. Rosado-Reyes, W. Tsang 

10:40 56. Fluorinated acid amplifiers improve 

high resolution imaging. 

S. A. Kruger, C. Higgins, B. Cardineau, 

R. L. Brainard 

11:00 57. Modeling the localization of excitations 

in poly-phenylacetylene based 

dendrimers. Y. Shin,X.Lin 

11:20 58. Marcus theory for hydride transfer 

reactions between heteroaromatic compounds. 

I. H. Lee 

11:40 59. Development and synthesis of 

corannulene-based organic light emitters. 

D. R. Jones,J.Mack 

Section B 


Room 205A/B 

Young Investigators 

D. Huryn, Organizer, Presiding 


8:35 60. Efficient and practical synthesis of 

GSK812397, an HIV drug candidate. 

V. I. Elitzin 

8:55 61. Synthesis and evaluation of NO donor 

containing carbonic anhydrase inhibitors. 

Q. Huang,M.Cobbs,D.M.Dinh, 

H. Gukasyan, J. A. Lafontaine, S. Mehta, 

B. D. Patterson, P. F. Richardson, 

E. Y. Rui 

9:15 62. DNA-programmed chemistry approaches 

to macrocyclic lead compounds. 

A. W. Fraley 

9:35 63. Synthesis of pyridyl amine ligands 

for catalyzed ethylene oligomerization. 

C. A. Faler 

9:55 64. Design and synthesis of novel 

�-secretase (BACE) inhibitors. 

R. D. Mazzola Jr., S. Babu, J. Caldwell, 

X. Chen, J. Cumming, M. Czarniecki, 

J. Duo, J. Durkin, W. J. Greenlee, H. Gu, 

T. Guo, R. Hunter, U. Iserloh, 

M. E. Kennedy, J. Kong, R. Kuvelkar, 

L. Hyde, P. Leach, V. Madison, 

B. A. Mckittrick, T. Le, T. Meng, 

J. Misiaszek, J. Pan, E. Parker, G. Qian, 

K. Saionz, A. Stamford, C. Strickland, 

D. Tadesse, J. Voigt, L. Wang, J. Wong, 

Y. Wu, J. Zhao, Z. Zhu, G. Li, Y. Huang, 

Y. Ye, K. Cox, L. Favreau, D. Wyss, 

Y. Wang, Z. Sun 


10:25 65. Development of an efficient palladium-catalyzed 

intramolecular carbometalation 

reaction for the synthesis of a 

dibenzoxapine-containing tetrasubstituted 

exocyclic alkene. H. Yu, 

R. N. Richey 

10:45 66. Peptide mimetics disrupting protein-protein 

interactions discovered by 

post-solid phase modifications. F. Liu, 

A. G. Stephen, A. A. Waheed, J. Park, 

R. J. Fisher, K. S. Lee, E. O. Freed, 

T. R. Burke 

11:05 67. Asymmetric hydrogenation of unprotected 

N-H ketoimines. F. Gosselin 

11:25 68. Synthetic ligands (synbodies): 

Synthetic alternatives to antibodies. 

N. Gupta, P. E. Belcher, M. Shah, 

P. Stafford, C. W. Diehnelt, 

J. J. Rajasekaran, S. A. Johnston 

11:45 69. Practial arene metallation chemistry. 

M. M. Bio 


Section A 


Ballroom East 

Symposium in Memory of Keith Fagnou 

T. Rovis, Organizer 

G. Hughes, Organizer, Presiding 


8:55 70. Mechanistic aspects of cross-coupling 

reactions that form C-C bonds. 

J. F. Hartwig, B. P. Carrow, Z. Huang, 

Y. Tan 

9:40 71. High oxidation state palladium in 

catalysis. M. Sanford 

10:25 72. Pd(II)/Pd(0) catalysis: A promising 

platform for versatileC-Hfunctionalizations. 

J. Yu 

11:10 73. Mechanism of the hydrolytic kinetic 

resolution reaction. E. N. Jacobsen 


Section B 


Room 205A/B 

Chemistry for Preventing and Combating 

Disease 


X. Qian, Presiding 

1:00 74. Insights and applications of using 

various aryl-azido compounds for the inactivation 

of human immunodeficiency virus 

(HIV-1): Towards the generation of a 

novel inactivated vaccine strategy. 

J. M. Belanger, Y. Raviv, M. Viard, 

J. W. Bess, R. Blumenthal 

1:20 75. Enhanced radical scavenging activities 

of catechin derivatives incorporating 

basic amino acids. K. Fukuhara, 

I. Nakanishi, K. Imai, A. Ohno, K. Ohkubo, 

S. Fukuzumi, A. Nakamura, K. Anzai, 

N. Miyata, H. Okuda 

1:40 76. Nitric oxide releasing nanoparticles: 

A topical therapeutic strategy for the 

treatment of superficial and deep soft tissue 

infections. A. Friedman,G.Han, 

L. Martinez, M. Mihu, J. Nosanchuk, 

J. Friedman 

2:00 77. Therapeutic strategies based on 

siderophores: Iron out Pseudomonas 

aeruginosa infections with synthetic 

pyochelin? S. Noël, F. Rivault, L. Guillon, 

F. Hoegy, V. Gasser, D. Rognan, 

I. J. Schalk, G. L. Mislin 

2:20 78. Multifuntional porphyrinoids for simultanious 

breast cancer detection, imaging, 

and therapy. C. M. Drain 

2:40 79. Anti-parasitic activity of a bisphosphonamidate 

clodronate prodrug. 

C. L. Freel Meyers, M. Webster, S. Tang, 

T. Shapiro 

3:00 80. Chiral surfaces that resist biofouling. 

D. Bandyopadhyay, P. Sejwal, 

D. Prashar, Y. Y. Luk 

3:20 81. Fiber optic device for targeted singlet 

oxygen delivery for potential application 

in human diseases such as brain tumors. 

M. Zamadar, G. Ghosh, 

D. Aebisher, M. Alqaim, A. Greer 

3:40 82. NMR studies on the mutagenic 

nucleosides that can cause viral decay 

acceleration of HIV. D. Li, 

J. M. Essigmann 

4:00 83. New routes to functional adenosine 

A 2A receptor antagonists. R. Thomas, 

M. Sitkovsky, G. B. Jones 

4:20 84. Enantioselective synthesis of a 

drug for a low price using open science. 

M. Wölfle,M.H.Todd 

4:40 85. Converting C-H to C-C bonds: Synthesis 

of veratramine. D. F. Taber, 

J. F. Berry, P. W. DeMatteo 

Section C 


Room 206A 



N. Bowden, Presiding 

1:00 86. Vinylogous aldol products from 

chiral crotylsilanes obtained by carbenoid 

Si-H insertion. J. Wu 

1:20 87. (E)-Enolate equivalents from 

alkynes using tandem catalysis: Development 

of an anti-selective aldol reaction. 

L. K. Chan,M.J.Gaunt 

1:40 88. Aqueous Wittig reactions: Highly 

stereoselective, chemoselective, organic 

solvent and protecting group-free synthesis 

of functionalized alkenes. P. Das, 

J. McNulty 

2:00 89. Di-fluorous tagging strategy for the 

automated solution-phase synthesis of 

plant oligosaccharides. 

S. K. Nagappayya, H. Edwards, 

N. L. Pohl 

2:20 90. Gold catalyzed cyclization of 

propargylic esters with enones to give 

Rauhut-Currier type products. 

J. W. Cran, M. E. Krafft 

2:40 91. Strecker and Mannich reactions of 

�-amido p-tolylsulfones. S. T. Kadam, 

S. Kim 

3:00 92. Pyrazolidin-3-ones as a new scaffold 

for iminium ion organocatalysis. 

E. R. Gould, A. D. Smith, M. Reid 

3:20 93. Iterative metal-catalyzed C-H bond 

functionalization for complex natural 

product synthesis. L. McMurray, 

E. M. Beck, M. J. Gaunt 

3:40 94. Nickel-catalyzed stereoselective 

formation of 1,2-cis-2-amino-2-deoxy 

glucosides and galactosides. 

E. A. Mensah, H. M. Nguyen 





ORGN 

TECH–85

ORGN TECHNICAL PROGRAM 

4:00 95. Catalytic enantioselective dearomatization: 

A strategy for the rapid generation 

of non-racemic complex molecular 

architecture. A. E. Williamson, 

M. J. Gaunt 

4:20 96. Copper-catalyzed meta-selective 

direct arylation of �-arylacetamides. 

R. E. Gilligan, H. A. Duong, M. J. Gaunt 

4:40 97. Two-carbon homologation of ketones 

to 3-methyl unsaturated aldehydes. 

R. J. Petroski, K. Vermillion 

5:00 98. Intermolecular aryne insertion into 

the C-O bonds of carboxylic acids. 

A. V. Dubrovskiy, R. C. Larock 

Section D 


Room 203 

Peptides, Proteins and Amino Acids 


T. Tolbert, Presiding 

1:00 99. Staudinger reactions with unsymmetrical 

phosphites: Applications to the 

synthesis of phosphoramidate-linked glycopeptides 

and the functionalization of 

proteins. C. P. Hackenberger 

1:20 100. Rational design of functional macromolecular 

bis-peptides. 

C. E. Schafmeister, Z. Brown, M. Parker, 

K. Akula, M. Jackson 

1:40 101. Synthesis and application of porphyrin-peptide-conjugates 

in photodynamic 

inactivation of bacteria. E. Feese, 

R. A. Ghiladi 

2:00 102. Targeted photodynamic therapy 

of leukemia T cells using dual-surface 

modified virus capsids. 

N. Stephanopoulos,G.J.Tong, 

S. C. Hsiao, M. B. Francis 

2:20 103. Genome-free viral capsids as multivalent 

carriers for taxol delivery. W. Wu, 

S. C. Hsiao, K. Wai, M. B. Francis 

2:40 104. Protein modification for enhanced 

activities and targeted drug delivery. 

D. Prashar, D. Cui, Y. Shi, 

D. Bandyopadhyay, J. Dabrowiak, 

Y. Y. Luk 

3:00 105. Water-driven reactions for protein 

modification without side products. 

Y. Y. Luk, D. Cui, D. Prashar 

3:20 106. Exon-encoded polypeptides as 

primordial enzymes. Y. Ivanova, 

D. Pamuk, K. Kumar 

3:40 107. Self-assembly of cyclic peptides 

and potential application as molecular 

transporters. D. Mandal, K. Parang 

4:00 108. Energetic contribution of fluorinated 

aromatics to protein stability. 

J. Gao, H. Zheng, C. Pace 

4:20 109. Protein core packing by dynamic 

combinatorial chemistry. M. A. Case, 

L. Roy 

4:40 110. Structure and compositional analysis 

of polymeric active ingredients for 

drug delivery applications using advanced 

detection size-exclusion chromatography. 

J. Sanchez 

5:00 111. Comparison study of cyclic and 

linear peptoid libraries for high throughput 

screening. Y. Gao, T. Kodadek 

Section E 


Room 204A 


86–TECH 


S. Rasapalli, Presiding 

1:00 112. Intramolecular alpha–glucosaminidation: 

Synthesis of mycothiol. 

S. Knapp, K. Ajayi, V. V. Thakur, 

R. C. Lapo 


1:20 113. Structural assignment and total 

synthesis of Gephyronic acid. L. Nicolas, 

T. Anderl, L. Sabine, R. E. Taylor 

1:40 114. Defining the stereochemical configuration 

of chamuvarinin via synthesis. 

G. J. Florence 

2:00 115. Progress toward the total synthesis 

of Sch 47554. B. W. Slafer, 

A. G. Barrett, M. Espensen, O. Niemeier 

2:20 116. Efforts toward the total synthesis 

of leiodelide A. M. F. Chellat, N. Proust, 

M. G. Lauer, J. P. Stambuli 

2:40 117. Bromonium-initiated epoxideopening 

cascades and its application for 

the total synthesis of ent-dioxepandehydrothyrsiferol. 

J. Tanuwidjaja,S.Ng, 

T. F. Jamison 

3:00 118. Towards the total synthesis of 

Agariblazeispirol C. L. C. Paterson, 

W. J. Kerr, A. Sutherland 

3:20 119. Highlights on the way to the first 

total synthesis of Pl-3. C. R. Lentsch, 

R. Fürst, U. Rinner 

3:40 120. Toward the first total synthesis of 

Pl-4 – a jatrophane dipterpene with remarkable 

multidrug resistant reversal 

(MDR) effect. R. Fürst, U. Rinner 

4:00 121. Synthesis of (�)-eusynstyelamide 

A. O. V. Barykina,B.B.Snider 

Section F 


Room 204B 



S. Singh, Presiding 

1:00 122. Synthesis of stereochemically diverse 

2-pyrrolines through a novel Ag 

catalyzed [3�2] cycloaddition. 

J. A. Bishop, S. E. Schaus 

1:20 123. Copper-catalyzed regio- and enantioselective 

formal conjugate addition 

of Grignard reagents to �,�-unsaturated 

aldehydes. M. Fañanás Mastral, 

B. L. Feringa 

1:40 124. Investigation of the scope and 

mechanism of the palladium-catalyzed 

synthesis of enantioenriched allylic esters 

from prochiral (Z)-allylic alcohols. 

J. S. Cannon, S. F. Kirsch, 

L. E. Overman, H. F. Sneddon 

2:00 125. Catalytic enantioselective Saucey 

Marbet Claisen rearrangement of heterocyclic 

substrates. T. Cao, 

M. C. Kozlowski 

2:20 126. Asymmetric organocatalytic allylation 

of acetals. R. M. Gleixner,L.R.Cox 

2:40 127. Discovery and development of the 

Sc(III)-catalyzed homologation of cycloalkanones 

with substituted diazomethanes. 

D. C. Moebius, V. L. Rendina, 

J. S. Kingsbury 

3:00 128. Asymmetric Diels-Alder reaction 

with a new bifunctional cinchona alkaloid 

catalyst. K. J. Bartelson, R. P. Singh, 

L. Deng 

3:20 129. (E)-2-Boryl-1,3-butadiene derivatives 

of the 10-TMS-9-BBDs: Highly selective 

reagents for the asymmetric synthesis 

of anti-1,2-disubstituted 3,4pentadien-1-amines. 

J. R. Gonzalez, 

J. A. Soderquist 

3:40 130. Asymmetric allylic alkylations with 

preformed ketone and lactone enolates 

and doubly deprotonated carboxylic acids. 

M. Braun, P. Meletis 

4:00 131. Chiral boronate derivatives via 

catalytic enantioselective conjugate addition 

of Grignard reagents on 3-boronyl 

unsaturated esters and thioesters. 

J. C. Lee,D.G.Hall 

4:20 132. Override of substrate reactivity in 

highly enantioselective regiodivergent 

ring opening reactions of [2.2.1] oxabicyclic 

alkenes: Applications to practical API 

synthesis. R. Webster, N. Nguyen, 

A. Boyer, C. Boeing, M. Lautens 

Section G 


Room 207 





W. Dichtel, Presiding 

1:00 133. Molecular force probes for studying 

reaction kinetics under force. 

R. Boulatov, T. J. Kucharski 

1:20 134. Mechanistic large scale industrial 

catalysis: Regioselectivity control in arene 

substitution. C. Kring, F. Windlin, 

P. Hofmann 

1:40 135. Mechanistic investigations into 

the role of water in regioselective epoxy 

alcohol cyclizations in aqueous media. 

J. A. Byers, T. F. Jamison 

2:00 136. Quantum chemical studies on the 

photochemistry of nitro-aromatic explosives. 

J. Quenneville, D. S. Moore 

2:20 137. Mechanistic studies of lithium 

enolates: Enolate generation and reactivity. 

K. J. Kolonko, H. J. Reich 

2:40 138. Reaction mechanism of imidazole 

formation from glyoxal and amines: A 

computational study. J. Kua, H. Krizner 

3:00 139. Intermolecular influences on radical 

reactions. A. K. Croft,C.J.Cadman, 

A. Garcia Cabellero, H. M. Howard-Jones, 

S. M. Nalli, C. C. Wood 

3:20 140. Brownian dynamic simulations of 

the excited-state reversible proton transfer 

in the zwitterion-proton pair. 

A. V. Popov, K. M. Solntsev, E. Bartolo, 

L. M. Tolbert, R. Hernandez 

3:40 141. Insights into the catalytic mechanism 

of GH97 enzyme from the MD and 

QM/MM-MFEP simulations. G. Cui, 

W. Yang 

4:00 142. Novel off-on fluorescent probes 

for visualizing reactive oxygen species in 

lipid membranes. K. Krumova,G.Cosa 

4:20 143. Mechanism of the �,�-diphenylprolinol 

trimethylsilyl ether-catalyzed aza- 

Michael reaction. C. Wong 

Section A 


Ballroom East 

JOC: Defining the Frontiers of Organic 

Chemistry for 75 Years 

C. Burrows, Organizer 

R. Boeckman, Organizer, Presiding 

1:30 Introductory Remarks by C. D. Poulter 

1:40 144. Evolution of anion relay chemistry 

(ARC): Construction of architecturally 

complex natural and unnatural products. 

A. B. Smith, III 

2:20 145. Catalytic organometallic carbonheteroatom 

bond formation. 

J. F. Hartwig 

3:00 146. Strategies for the rational chemical 

synthesis of fullerenes and carbon 

nanotubes. L. T. Scott 

3:40 147. Bioactive compounds: A driving 

force for the discovery of methods. 

J. Cossy 

4:20 148. Chemical synthesis in the context 

of pharma discovery. S. J. Danishefsky 


Section A 


Hall C 

Heterocycles and Aromatics, Metal- 

Mediated Reactions & Syntheses, 

Molecular Recognition & Self-Assembly 

and Physical Organic Chemistry: 

Calculations, Mechanisms, Photochemistry 

& High-Energy Species 


8:00–10:00 

149. Novel syntheses of some 1, 2, 4-triazoles 

as potent bacteriocidal agents. 

J. R. Patel 

150. Radioiodination of functionalized indoles. 

A. B. Williams,R.N.Hanson 

151. Reverse NO 2 reactivity in the oxidation 

of syringyl lignin model compounds in 

acetonitrile. S. S. Mustakim, M. R. Karim 

152. Novel and efficient synthesis of bendamustine 

hydrochloride, the active ingredient 

in Treanda®. J. Chen, 

K. Przyuski Mowrey, R. Roemmele 

153. Sulfonamidophenyl porphyrinic macrocycles 

as thiol-activatable photosensitizers 

for biological applications. 

J. Bhaumik, K. M. Bardon, 

R. Weissleder, J. R. McCarthy 

154. Modulation of regioselectivity in the 

condensation 3-amino-5-methylpyrazole 

with unsymmetrical ketones: Applications 

to the synthesis of pyrazolo[1,5-�]pyrimidines. 

J. R. Rizzo, T. Y. Zhang, M. Jia, 

H. Ping 

155. p-Iodination and p-bromination of activated 

arenes in hydrocarbon media. 

D. W. Slocum, P. E. Whitley,B.Fouzia 

156. Synthesis of nitrogen- and sulfur-containing 

heterocycles from cyclopropanol 

fragmentation. G. T. Stoyanov, 

K. L. George, K. P. Minbiole 

157. Synthesis of a coumarin/phenanthridine-fused 

heterocycle: A potential organocatalytic 

oxidizing agent. D. Yang, 

J. Chen 

158. One-step, multicomponent reaction for 

the synthesis of fully substituted 5-amino-1,3-thiazole-4-carboxamides. 

K. K. Childers, A. M. Haidle, 

M. R. Machacek, J. P. Rogers, E. Romeo 

159. Carbon-Carbon bond formation under 

mild conditions using cyclic ketene 

acetals: Reactions of substituted oxazoles 

and thiazoles with acid chlorides and isocyanates. 

S. Chatterjee, G. Ye, Y. Song, 

B. L. Barker, C. U. Pittman, Jr. 

160. Asymmetric synthesis of Pyrrolodinopyridine 

based CXCR4. R. Zhou, C. Bi, 

M. He, R. Hoffman, M. Jalaie, J. Kath, 

S. Kupchinsky, T. Ling, J. Lu, M. Marx, 

P. Richardson, N. Sach, K. Tran, 

N. Barbour, S. Cho-Schultz 

161. Tandem Henry-Michael route to the 

1,3-disubstituted-1,3-dihydrobenzo[c]furan 

system. F. A. Luzzio,J.Chen 

162. Fluorous benzaldehyde-based synthesis 

of heterocyclic systems. A. Kadam, 

S. Ding, R. Fitzgerald, M. Le-Nguyen, 

W. Zhang 

163. Enhancing the solubility of polycyclic 

aromatic hydrocarbons: Advancements 

in the total synthesis of a [6,6] carbon 

nanotube end cap. A. K. Greene, 

F. Liquido, L. T. Scott 

164. N-2 aryltriazole as a new fluorophore 

with tunible photo reactivity. X. Shi, 

W. Yan 

165. Development of triazole based proline 

as new catalyst in chemistry synthesis. 

X. Shi, X. YE 

166. Iron catalyzed 1,2,3-triazole propargylation: 

A practical route for the preparation 

of bis-1,2,3-triazole. Q. Wang,X.Shi 

167. Direct copper C-arylation for synthesis 

of thiazolyl–pyrazolopyrimidines. 

S. K. Boini, J. R. Rizzo, R. K. Vaid, 

B. Dominguez, M. Groarke 

168. Synthesis of thieno[2,3-b]furans and 

furo[2,3-b]furans using a modification of 

the Jacobi bis-heteroannulation method. 

S. F. McCann, Y. Hu, M. Hendrixson, 

R. A. Coats 

169. New approaches to the synthesis of indolequinones 

as bioreductive anticancer 

agents. M. Inman, C. J. Moody 






consent from ACS.

170. Convenient one-pot synthesis of 4-substituted-2,6-dihalopyridines: 

Valuable 

building blocks for medicinally active heterocycles. 

V. Neelagiri, P. Salgaonkar, 

D. Sethumadhavan, M. Neelagiri, 

V. Rajur, H. Kim, R. Rajur, R. Reddy, 

K. Vines, S. Gadamasetty, C. Moon 

171. Intermolecular aza Diels-Alder reactions 

of iminoacetonitriles.A[4� 2 ] cycloaddition 

route to substituted tetrahydropyridines. 

S. Tumidajski, K. M. Maloney, 

R. L. Danheiser 

172. Toward [8]circulene. R. Bhola, 

B. T. King 

173. Short synthesis of benzo[1,2,5]triazepin- 

4-ones via intramolecular S NAr substitution. 

S. Jin, O. St-Jean, V. Santhakumar, 

M. J. Tomaszewski 

174. X-ray, NMR, FTIR and DFT structural 

study of enaminketone derivatives of the 

Fisher base. O. F. Vazquez-Vuelvas, 

D. Morales-Morales, Z. Gomez-Sandoval, 

M. Tlenkopatchev, A. Pineda-Contreras 

175. New photolabile linkers for the solidphase 

synthesis of NH-1,2,3-triazoles, 

homoserine lactones, and other heterocycles. 

K. Qvortrup, T. E. Nielsen 

176. Microwave-assisted soluble polymer 

supported synthesis of quinoxalines, 

benzodiazepines, and benzimidazoles. 

F. S. Fouad 

177. Total synthesis of cyclooroidin and 

studies towards some oroidin dimers. 

S. Mukherjee, C. J. Lovely 

178. Modified synthesis and direct borylation 

of corannulene. M. N. Eliseeva, 

L. T. Scott 

179. Peculiarities of the reaction between 

sodium hydroxide and syn- and anti-isomers 

of 5-substituted 2-(4-chlorobutyryl)aminobenzophenones 

oximes. 

O. V. Kulikov, L. K. Minacheva, 

A. V. Mazepa 

180. Interactions of �-conjugated chains in 

stacked oligo(phenylene ethynylene)s. 

S. P. Jagtap, G. Brizius, W. Komorner, 

D. M. Collard 

181. Mild and efficient �-alkynylation of 

butenolides: Short synthesis of fugomycins. 

N. Bruneau-Latour, J. Boukouvalas 

182. Diels-Alder strategy for constructing 

�-benzoyl-�-arylbutenolides: Expedient 

synthesis of cadiolides. C. Thibault, 

J. Boukouvalas 

183. Troubleshooting a synthesis: Optimization 

of a synthetic route to cyclic hydroxamic 

acids. B. M. Bechle,A.B.Dounay, 

X. Gan, S. Ghosh, J. Kim, L. McAllister, 

V. Parikh, J. Tuttle, P. Verhoest 

184. Reactivity and regioselectivity of nitroalkenes 

with unsymmetrical münchnones. 

J. M. Lopchuk,G.W.Gribble 

185. Progress toward the asymmetric synthesis 

of cyclic hydroxamic acids: Route 

design and optimization. S. Ghosh, 

A. B. Dounay, X. Gan, B. M. Bechle, 

J. Kim, L. McAllister, V. Parikh, 

J. B. Tuttle, P. R. Verhoest 

186. Formal olefination and acylaziridination 

of imidazolones. X. Dai, M. W. Miller, 

A. W. Stamford 

187. Picolinamide derivatives as ligand in 

aryl-aryl Ullmann type couplings at RT. 

F. Damkaci, E. Altay 

188. Synthesis and characterization of 1,8dithia-4,11-diazacyclotetradecane. 

T. L. Walker, M. J. Taschner, W. Malasi, 

S. Bhide, T. Parker 

189. Synthesis and alkali metal reduction of 

cyclooctatetraenyl isocyanate. J. R. Klen, 

S. J. Peters 

190. Superelectrophilic chemistry of nitriles. 

D. A. Klumpp,E.K.Raja 

191. Direct continuous flow synthesis of 

highly substituted pyrrole-3-carboxylic 

acids via in situ hydrolysis of tert-butyl 

esters. A. Herath,N.D.Cosford 

192. Rapid multistep continuous flow synthesis 

of novel 3,4-dihydropyrimidin- 

2(1H)-ones (DHPMs): Tandem heterocycle 

formation/three component reaction 

in a single continuous microreactor sequence. 

N. Pagano, A. Herath, 

N. D. Cosford 

193. Charge migration across aryl groups in 

superelectrophiles. D. A. Klumpp, 

R. R. Naredia, K. J. Boblak, 

M. J. O’Connor 

194. New methods for the quaternization of 

benzothiazoles. L. Chen 

195. Protio-defluorination chemistry. 

D. A. Klumpp, A. Kethe 

196. Synthesis of chiral amino acid based 

pyrrolidine thioethers. A. M. Lineberry, 

M. J. Taschner 

197. Synthesis and conjugation of chlorins to 

iron oxide nanoparticles for diagnoses 

and treatment of atherosclerotic vascular 

disease. S. Erdem, R. Weissleder, 

J. McCarthy* 

198. Synthesis of novel 6,12-disubstituted 

derivatives of Tröger’s base. E. Ascic, 

J. Artacho, K. Månsson, J. Karlsson, 

M. Harmata, V. Snieckus, K. Wärnmark 


200. Direct aziridination of 1,3-dioxenones: 

Applications in the synthesis �-amino 

acids. M. Fletcher, J. Falla, 

E. C. McLaughlin 

201. Application of hetero-Michael pathways 

for the synthesis of sultam libraries. 

Q. Zang, S. Javed, P. K. Maity, 

J. J. Hasting, P. R. Hanson 

202. Design and synthesis of a Lewis acid 

functionalized room-temperature ionic 

liquid for use as a gas capture material. 

B. R. Wiesenauer, J. E. Bara, 

R. D. Noble, D. L. Gin 


macrocyclic bifunctional ligands for cancer 

therapy. X. Sun, H. Song, M. Dadwal, 

C. Kang, A. Dai, H. Chong 

204. Synthesis of �-substituted porpholactones 

as novel chromophores for optical 

high pH sensing. J. Worlinsky, G. Zarate, 

P. Daddario, M. Ghandehari, G. Khalil, 

C. Brückner 

205. Synthesis of (�)-2-aryl- and (�)-2-alkylsubstituted2,3-dihydro-4(1H)-quinazolinones 

from 2-nitro- and 2-aminobenzamide. 

R. A. Bunce, B. Nammalwar 

206. [Azeteochlorinato]Ni(II), a pyrrole ringcontracted 

chlorin analog. M. A. Hyland, 

S. Banerjee, C. Brückner 

207. Oxazolochlorins: Stable chlorin-type 

chromophores. J. Ogikubo, 

L. Samankumara, C. Brückner 

208. Formation of bridged and fused bicyclic 

diazenium salts from aryl hydrazone precursors. 

J. Wyman, M. I. Javed, 

M. Brewer 

209. Reactions of 2-alkynylcarboxylic acids 

and terminal alkynes. D. E. Mendes, 

A. M. Schoffstall 

210. Investigations of heterocyclic sulfones 

as medicinal compounds. K. N. Barrett, 

J. McKee, M. Zanger 

211. Toward a library-optimized approach to 

synthetic ergolines. M. A. Parker, 

J. Hwang, D. Schmit, J. Almazan, 

M. Farmer, J. Duensing, M. B. Bergdahl 

212. Solid state aldol synthesis of novel anticancer 

chalcones. J. K. Rugutt 

213. Gold(I)-catalyzed intermolecular amination 

of allylic alcohols with cyclic ureas 

and related nucleophiles. P. Mukherjee, 

R. A. Widenhoefer 

214. Synthesis of pyrroles and furans via 

Au(I)-catalyzed Claisen rearrangement. 

A. Saito, T. Konishi, Y. Hanzawa 

215. TiCl 4-activated selective nucleophilic 

substitutions of t-butyl alcohol and benzyl 

alcohols with pi-donating substituents. 

C. Tsai, R. Sung, K. Sung 

216. Copper-catalyzed formations of sulfurnitrogen 

bonds using thiols. N. Taniguchi 

217. Highly chemoselective nickel-catalyzed 

three-component cross-trimerization of 

three distinct alkynes leading to 1,3-dien- 

5-ynes. K. Ogata, Y. Atsuumi, 

S. Fukuzawa 

218. Pd(II)-catalyzed arylation of cyclic 

enaminones using boronic acids via C–H 

functionalization. Y. KIM, G. I. Georg 

219. Zirconium mediated three component 

reaction with carbon dioxide. D. Castillo, 

J. Padilla,S.Oda,S.Mito 

220. Highly diastereoselective synthesis of 

both (E)-and (Z)-trisubstituted alkenes via 

organoboranes. N. G. Bhat, L. Reyna 

221. Novel diastereoselective synthesis of 

(Z)-disubstituted alkenes containing a 

4-methylbenzyl moiety via organoboranes. 

N. G. Bhat, R. Cavazos 

222. Tandem catalysis: Highly functionalized 

lactones through a ruthenium-catalyzed 

ring closing metathesis/hetero-Pauson- 

Khand reaction sequence. 

D. F. Finnegan,M.L.Snapper 

223. Development of a new generation of 

C-C bond forming reactions through C-H 

activation. M. Wasa 

224. Synthesis of oxindoles using copper 

mediated radical cyclisation. H. Parekh 

225. Intramolecular C-C formation via oxidative 

coupling reactions. K. C. Pereira, 

A. Kantak, B. DeBoef 

226. Csp 3 -Csp 3 bond formation by nickelcatalyzed 

reductive coupling of alkyl halides. 

M. R. Prinsell,D.J.Weix 

227. Isolated polyacetylene chains in a urea 

inclusion complex. A. Lashua, 

B. S. Hudson, M. B. Sponsler 

228. Pd-Pd bridged complexes: Synthesis 

and reactivity. R. Rios, M. Viciano, 

A. Moyano 

229. Rh(I)-catalyzed diasterselective and 

enantioselecive diboration of internal 

alkenes. M. Tsai 

230. Synthesis of new radiopharmaceuticals 

for PET imaging by “click chemistry”. 

J. Sims-Mourtada, I. Tworowska 

231. In search of a universal Suzuki-Miyaura 

reaction. C. Stanciu, S. Berritt, 

S. D. Dreher 

232. Synthesis of 5-7-5 fused tricyclic lactones 

via Rh(I)-catalyzed [2�2�2�1] cycloaddition 

of enediynes with carbon 

monoxide. J. J. Kaloko,G.Y.Teng, 

S. Pavel, I. Ojima, A. A. Athan 

233. Rh-catalyzed intramolecular cycloadditions 

of 1,6-diene-11-ynes and 6-ene- 

1,11-diynes. A. A. Athan,J.J.Kaloko, 

G. Y. Teng, I. Ojima 

234. Rh(I)-catalyzed [2�2�2�1] cycloaddition 

of triynes for rapid access to cholchicinoids. 

G. Y. Teng,J.Kaloko,I.Ojima 

235. Transition metal-catalyzed addition reactions 

of arylboronic acids with alkyl 

2-formylbenzoates: Efficient access to 

chiral 3-substituted phthalides. Y. Liao, 

C. Xing, P. He, Q. Hu 

236. Formation of novel 5-7-5-5 fused tetracyclic 

skeletons through Rh(I)-catalyzed 

[2�2�2�1] cycloaddition of cyclopentene-diynes 

with carbon monoxide. 

J. J. Kaloko, G. Y. Teng, A. A. Athan, 

I. Ojima 

237. Oxidative addition of malonates to tetrahydrofurans 

via ferrocenium hexafluorophosphate. 

C. R. Stephenson, 

B. S. Matsuura 

238. Selective reduction of �, �-unsaturated 

carbonyl compounds using Bu 3SnH. 

D. V. Vidhani, M. E. Krafft, J. W. Cran 

239. Mechanistic studies of a Pd-catalyzed 

olefin dioxygenation. S. R. Neufeldt, 

M. S. Sanford 

240. Development of a palladium-catalyzed 

arylfunctionalization of alkenes. 

A. Kubota, A. D. Satterfield, 

M. S. Sanford 

241. Development of novel cationic Diels-Alder 

dienophiles stabilized by cobaltalkyne 

complexes. M. Torres,K.M.Shea 

242. Diels-Alder dienes activated by cobaltcomplexed 

alkynes. S. J. Perlmutter, 

K. M. Shea 

243. Group 4 metal mediated reactions with 

carbon dioxide. S. Oda,S.Mito 

244. Lithium 2-pyridyltrihydroxyborate salts: 

Stable, isolable, and scalable boronates 

for Suzuki-Miyaura coupling reactions. 

K. Chen, R. Peterson, S. K. Math, 

J. LaMunyon, C. Testa 

245. Hydrogen-bonding scaffolds and their 

application to Henry reactions in nitrosugar 

syntheses. A. J. Metrano, 

B. R. Linton 

246. New fluorescent gelators derived from 

1,3,5-benzenetricarboxamide: Synthesis 

and gel preparation. Y. Chen, C. Huang, 

P. P. Lee, Y. Wang, H. Wang, J. H. Xin, 

K. K. Cheuk 

247. Study on self-assembly of novel 1,3,5benzenetricarboxamide-basedorganogel. 

Y. Chen, C. Huang, P. P. Lee, 

Y. Wang, H. Wang, J. H. Xin, K. K. Cheuk 

248. Low molecular weight organogel based 

on pyrene derivative. C. Huang, Y. Chen, 

P. P. Lee, Y. Wang, H. Wang, J. H. Xin, 

K. K. Cheuk 

249. Towards lanthanide-based responsive 

luminescent probes for the detection of 

reactive oxygen species. J. Laakso, 

K. E. Borbas 

250. Disassembly of amphiphilic macromolecules 

based-nanocontainers with enzyme 

as stimulus. F. Wang, 

M. A. Azagarsamy, S. Thayumanavan 

251. Resolution of pharmaceuticals via crystallization 

self-assembled monolayers. 

P. S. Navare, J. C. MacDonald 

252. Crystal engineering of sulfoxides: A 

multiple synthon approach in the formation 

of sulfa drug-based co-crystals. 

E. Elacqua, D. Bucar, R. F. Henry, 

G. G. Zhang, L. R. MacGillivray 

253. Localization of self-assembled molecular 

nanofiber on endoplasmic reticulum 

inside live cells. Y. Gao, Y. Kuang, B. Xu 

254. N-alkyl-DABCOnium trihalozincates: 

Privileged scaffolds for the preparation of 

noncentrosymmetric solids. A. D. Finke, 

D. L. Gray, J. S. Moore 

255. Effects of halogenation on the self-assembly 

and hydrogelation of a small molecule. 

D. M. Ryan, S. B. Anderson, 

B. L. Nilsson 

256. Synthesis and characterization of novel 

macrocycles based on chenodeoxycholic 

acid (CDCA) as potent drug delivery system. 

X. Bai, X. Chen, J. R. Dias 

257. Sugar-responsive organoboron block 

copolymers. J. N. Cambre,D.Roy, 


258. Colorimetric detection of iodide ions. 

I. Ahn, J. Choi, D. Cho 

259. Encapsulation and isolation of flavin– 

polymer conjugates using dendritic guest 

moieties via molecular recognition. 

C. Subramani, G. Yesilbag, B. J. Jordan, 

X. Li, G. Cooke, A. Sanyal, V. M. Rotello 

260. Cell-surface and lysate based identification 

of cell types and cancer states using 

gold nanoparticle-GFP supramolecular 

complexes. S. Rana, A. Bajaj, 

O. R. Miranda, J. C. Yawe, D. J. Jerry, 

U. H. Bunz 

261. Semiconductor co-crystals based on 

carboxylic acids. K. M. Kester, 

J. C. Sumrak, L. R. MacGillivray 

262. Design of ruthenium and osmium containing 

coiled-coil peptide dimers: Studies 

in energy transfer. D. J. Wilger, 

M. L. Waters 

263. Synthesis and self-assembly of membrane-active 

cationic molecules. 

M. J. Razumov, J. S. Carter, H. Patel, 

G. J. Gabriel 

264. Aqueous self-assembly of porphyrin 

nanowires: Synthesis, characterization 

and energy transfer studies. M. Fathalla, 

A. Neuberger, S. Li, R. Schmehl, 

U. Diebold, J. Jayawickramarajah 

265. Coordination-driven selective self-assembly 

of multicomponent supramolecules. 

Y. Zheng, M. Wang, Z. Zhao, 

J. B. Pollock, K. Ghosh 

266. Tripodal binding groups for the noncovalent 

functionalization of graphene 

sheets. J. A. Mann,W.R.Dichtel 

267. Synthesis and studies of assembled 

structures of porphyrins bearing rigid hydrogen 

bonding motifs. S. Singh, 

C. M. Drain 

268. Traveling wave ion mobility mass spectrometry 

analysis of self-assembled terpyridine-based 

Ru(II)-Fe(II) macrocycles. 

X. Li, Y. Chan, G. Newkome, 

C. Wesdemiotis 

269. Enhancing molecular gelation using 

functionalized polymers for sensing applications. 

Y. Adhia,T.H.Lent,J.Chen, 

M. T. Perez, A. J. McNeil 





ORGN 

TECH–87


270. Design, synthesis, and topochemical 

polymerization of diacetylene macrocyclic 

systems. T. Hsu, F. W. Fowler, 

J. W. Lauher 

271. Probing early events in peptide self-assembly 

with nonnatural amino acids. 

T. M. Doran, A. J. Kamens, N. K. Byrnes, 

B. L. Nilsson 


273. Exploring the effect of linker topology 

on the binding affinity of donor acceptor 

hetero-duplexes. S. A. Samuel, 

B. Iverson 

274. Thermal reaction of a columnar assembled 

diacetylene macrocycle. Y. Xu, 

L. S. Shimizu 

275. Dan-Ndi liquid crystals: Tunable mesophases 

and potential photovoltaic applications. 

P. M. Alvey, B. Iverson 

276. Concentric cyclic assembly of watersoluble 

aedamers. C. R. Martinez, 

B. L. Iverson 

277. 3-Halodiazirinyl anion: A complex of 

diazirinylidene and halide ion. T. Martinu, 

E. Hanzlova 

278. Dynamics of spin-labels in solvent inclusions 

in potassium hydrogen phtalate 

and phtalic acid single crystals. 

L. Ryzhkov 

279. Asymmetric Diels-Alder reaction using 

benzoin as a photoremovable chiral auxiliary. 

V. B. Kammath,P.Sˇ ebej, 

T. Slanina, P. Klán 

280. Study of 1-naphthyl N-methylcarbamate 

� OH radical gas-phase reaction: 

Mechanism, kinetics, and branching ratios. 

C. Zavala-Oseguera, A. Galano, 

G. Merino 

281. Computational studies on the structure 

and photophysical properties of photochromic 

oligothienoacene derivatives. 

W. Lam,C.Ko,V.Yam 

282. Changing reaction mechanisms with 

force. T. J. Kucharski, Q. Yang, Y. Tian, 

N. C. Rubin, R. Boulatov 

283. p-Hydroxyphenacyl as a photoremovable 

protecting group for amines and 

amino acids. I. Bownik, J. Literák, 

R. S. Givens, P. Klán 

284. Slow rearrangement of a sterically hindered 

nitrocyclohexadienone and the absence 

of phenol oxidation by NO. 

S. J. Peters, M. E. Kassabaum, 

T. M. Blood 

285. Dynamics of 1,3-dipolar cycloadditions 

and carbene cycloadditions. L. Xu, 

D. E. Charles, K. N. Houk, R. A. Moss 

286. Planar and nearly planar trialkylamines. 

D. S. Makhanu,A.N.Alsobrook, 

A. D. Nelson, T. E. Albrecht-Schmitt, 

P. D. Livant 

287. Symmetry of N-X-N halogen bonds in 

solution. A. C. Carlsson, M. Erdelyi 

288. New carbazole, indole, and diphenylamine 

based emissive compounds: 

Synthesis, photophysical properties, and 

formation of nanoparticles. K. Panthi, 

T. H. Kinstle 

289. Mechanistic insights into the copper(II)promoted 

aminooxygenation of alkenes. 

M. C. Paderes, J. B. Keister, 

S. R. Chemler 

290. Elucidating the relative importance of 

various photochemically produced reactive 

intermediates in the photodegradation 

of endocrine-disrupting pollutants. 

K. E. Daumit,C.M.Whidbey, 

C. N. Goodwin, J. L. Gray, D. E. Latch 

291. Using the photo-Fries reaction as a 

photochemical probe to quantify the cage 

effects of ionic liquids. A. Zablowsky, 

A. E. Keirstead 

292. N-(�-Aminoalkyl)tetrazoles: Synthesis 

and NMR study of the tautomeric equilibria. 

B. M. El-Gendy, B. Draghici, C. Hall, 

P. J. Steel 

293. Experimental and computational investigations 

of the thermochemical decomposition 

of aryl ether lignin model compounds. 

M. K. Kidder, A. Beste, 

A. Buchanan 

88–TECH 


294. Molecular torsion balance for evaluation 

of halogen bonding in polar and nonpolar 

solvents. S. K. Keyser, C. S. Wilcox 

295. Mechanism for the fragmentation of 

aryltrialkylstannane cation radicals. 

P. Luo, J. P. Dinnocenzo 

296. Bottom-up synthesis of graphene nanoribbons. 

J. Kintigh, G. P. Miller 

297. X-ray crystal structures of organothiosubstituted 

pentacenes. J. B. Briggs, 

I. Kaur, G. P. Miller 

298. Synthesis and study of substituted starphenes. 

R. P. Kopreski, G. P. Miller 

299. Intramolecular enyne-pyridone photocycloaddition. 

S. Kulyk, S. M. Sieburth 

300. Synthesis of unusual bicyclic amino 

acid from D-Glucose and its use in the 

synthesis of natural product analogs. 

N. Goyal,G.Wang 

301. Efficient ligand-free copper catalyzed 

N-arylation of sulfonamides. 

T. Yong-Chua,F.Yong 

302. Manganese-catalyzed cross-coupling 

reactions of nitrogen nucleophiles with 

aryl halides in water. Y. Teo, F. Yong, 

C. Poh, Y. Yan, G. Chua 

303. Highly enantioselective 1,3-dipolar addition 

of azomethine ylide with unsaturated 

ketones, esters, and amides. 

K. Shimizu, K. Ogata, S. Fukuzawa 


Section B 


Room 205A/B 

Robert Burns Woodward Memorial 

Symposium 

R. Williams, W. Greenlee, Organizers 

L. T. Scott, Organizer, Presiding 

8:00 Introductory Remarks by Roald Hoffmann 

8:10 304. Natural product synthesis. 

Y. Kishi 

9:10 305. Topics in discovery and process 

chemistry from pharmaceutical and crop 

protection R&D. P. N. Confalone 


10:20 306. Design of bifunctional allylboron 

reagents via allene hydroboration reactions 

and applications to the synthesis of 

natural products. W. R. Roush 

11:10 307. Synthetic studies on selective 

phosphatidylinositol 3-kinase inhibitors. 

P. A. Jacobi, E. Onyango, T. Konekamp 

Section C 


Room 206A 



C. Stephenson, Presiding 

8:00 308. Concise approach to the synthesis 

of vinigrol using electrocyclic cyclization. 

D. Wang,W.E.Crowe 

8:20 309. Novel cascade ether synthesis 

through the [3,3] sigmatropic rearrangement 

of N-allylhydrazones. K. E. Lutz, 

R. J. Thomson, D. A. Mundal 

8:40 310. Discovery of silver-N-heterocylic 

carbenes as novel promoters for O-glycosidation 

reactions. I. J. Talisman, 

V. Kumar, S. V. Malhotra 

9:00 311. Electron transfer-initiated Diels-Alder 

cycloadditions of 2�-hydroxychalcones. 

H. Cong, J. A. Porco 

9:20 312. Highly efficient, three-component, 

one-pot, microwave-assisted synthesis 

of 2,3-disubstituted benzofurans under 

Sonogashira conditions. N. A. Markina, 

Y. Chen, R. C. Larock 

9:40 313. Copper-catalyzed [4�1] cycloaddition 

of 1,3-dienes and nitrene precursors. 

J. Zhou 

10:00 314. Synthesis of amines, aldehydes, 

and imines: Exceeding chemoselectivity 

in secondary amide reductions. 

G. Pelletier, W. S. Bechara, 


10:20 315. Bayer-Villiger oxidation of 2-acylcyclic 

ketones: A novel approach for the 

synthesis of acyl substituted alpha-hydroxy 

and alpha-beta unsaturated long 

chain acids. V. R. Neelagiri 

10:40 316. Boronic acid catalysis for mild 

and selective cycloadditions of unsaturated 

carboxylic acids. H. Zheng, 

O. Marion, D. G. Hall 

11:00 317. Sequenced Brook and Ireland- 

Claisen rearrangements of allylic silyl 

glyoxylates. D. C. Schmitt,J.S.Johnson 

11:20 318. Novel expedient synthesis of 

18 O-labelled allyl alcohol. S. Purser, 

G. J. Owen-Smith, G. C. Lloyd-Jones 

11:40 319. Electrophilic aromatic selenylation. 

S. Knapp,M.Abdo 

Section D 


Room 203 

Biologically-Related Molecules & 

Processes 


C. Meyers, Presiding 

8:00 320. Chemistry of thyroxine and dissociation 

of arylglyoxylic acids. R. Reddy 

8:20 321. Chemical communication within 

and between species. M. M. Meijler 

8:40 322. Natural product isolation from 

some marine-derived fungi. 

D. K. Fearon, P. B. Reese 

9:00 323. Simple synthesis, anti-breast cancer 

activity of novel coumarin-based sulfonamides: 

A coumestrol derivative and 

related molecules. G. Zeng,W.Mao, 

H. Zeng, T. Wang, Z. Zhu, S. Liu 

9:20 324. Molecular imaging approaches to 

understanding hydrogen peroxide biology 

in stress and development. 

B. C. Dickinson,C.J.Chang 

9:40 325. Synthetic scale-up and process 

optimization of glyceollin I, a novel natural 

product that displays interesting anticancer 

activity. A. Luniwal, M. El-Dakdouki, 

L. Fang, R. Khuspe, J. Liu, M. Reese, 

P. W. Erhardt 

10:00 326. Fungal biotransformation of 

Ferutinin and Tschimganin to afford bioactive 

products. A. Azarpira, 

M. I. Choudhary, S. A. Sattar, A. Rahman 

10:20 327. Synthesis of affinity tags for the 

proteomic profiling of cysteine sulfenic 

acids and S-nitrosothiols. E. Bechtold, 

J. Qian, K. J. Nelson, L. B. Poole, 

C. M. Furdui, S. B. King 

10:40 328. Mutasynthesis of novel thiopeptide 

natural product antibiotics. 

M. G. Acker, A. A. Bowers, A. Koglin, 

C. T. Walsh 

11:00 329. Development of fluorescent substrates 

for vesicular monoamine transporter 

2 (VMAT2) and their application in 

high throughput screening of VMAT2 inhibitors. 

G. Hu,D.Sames 

11:20 330. Synthesis and screening of PI3K 

inhibitor prodrugs for prostate cancer 

treatment. T. A. Pinder, M. Welker, 

G. Kulik 

11:40 331. Diversity-oriented synthesis of 

macrocyclic peptidomimetic scaffolds. 

A. Isidro-Llobet, P. Bello, T. Murillo, 

D. R. Spring 

12:00 332. Synthesis of vitamin D analogs 

as ligands for mutant human vitamin D receptor 

(Arg274Leu). S. Honzawa, 

N. Takahashi, A. Yamashita, T. Sugiura, 

M. A. Arai, S. Kato, M. Kurihara, 

A. Kittaka 

Section E 


Room 204A 



A. Doyle, Presiding 

8:00 333. Concise racemic and asymmetric 

total synthesese of strychnos alkaloids: 

Akuammicine, strychnine. G. Sirasani, 

T. Paul, R. B. Andrade 

8:20 334. Progress towards total synthesis 

of Ammocidin D. S. T. Chau,J.A.Teske, 

Q. Liu, G. A. Sulikowski 

8:40 335. Progress towards the total synthesis 

of Pectenotoxin 4. R. Sharma, 

L. J. Williams 

9:00 336. Efficient total synthesis of (-)-1 

(10),5-germacradien-4-ol from Pinus strobus. 

J. J. Kiddle, J. M. Smith, 

A. M. Vermeersch, T. Lim 

9:20 337. Convergent synthesis of the natural 

product DC-45-A2, the parent aglycone 

of the trioxacarcins. N. Hill, 

J. Svenda, A. G. Myers 

9:40 338. Six-step synthesis of strychnine. 

D. B. Martin, C. D. Vanderwal 

10:00 339. Total synthesis of (�)-nakadomarin 

A. P. Jakubec, 

D. M. Cockfield, D. J. Dixon 

10:20 340. Studies toward the synthesis of 

sanggenol-type natural products. 

Y. Xiong,J.A.Porco 

10:40 341. Concise total syntheses of Lycopodium 

and Aspidosperma alkaloids. 

S. P. Waters,X.Cheng 

11:00 342. Studies directed toward the total 

synthesis of isatisine A. J. Lee, 

J. S. Panek 

11:20 343. Synthetic access to members of 

the Aeruginosin family of natural products 

relying upon a novel oxabicyclic building 

block. C. S. Schindler, E. M. Carreira 

11:40 344. Synthesis and biological evaluation 

of the macrolide 4,8,10-tridesmethyl 

cethromycin, an effort towards overcoming 

antibiotic resistance. B. S. Wagh, 

V. Velvadapu, T. Paul, R. B. Andrade 

Section F 


Room 204B 



D. Coltart, Presiding 

8:00 345. Novel camphor-based amino alcohols 

and diols for selected asymmetric 

synthesis. O. B. Olubanwo,J.A.Golen, 

V. Nevalainen 

8:20 346. Computationally inspired diastereo- 

and enantioselective rhodium-catalyzed 

Pauson-Khand reaction at room 

temperature. P. Ricci, P. Evans, M. Baik 

8:40 347. Enantioenriched allenylsilanes as 

building blocks for stereocontrol in organic 

synthesis. R. A. Brawn,J.S.Panek 

9:00 348. Design and synthesis of cobalt(II) 

porphyrin catalysts for stereoselective intro-molecular 

cyclopropanation. X. Xu, 

H. Lu, R. Joshua, P. Zhang 

9:20 349. Asymmetric total synthesis of (�)clusianone 

via N-amino cyclic carbamate 

hydrazones. M. R. Garnsey,D.Lim, 

J. Yost, D. M. Coltart 






consent from ACS.

9:40 350. Probing tubulin interactions with 

14-methyl epothilone D analogs. 

E. M. Daly, R. E. Taylor 

10:00 351. Triazole-gold catalysed synthesis 

of �, � Unsaturated compounds from 

propargyl acetate. L. S. Gautam, 

D.Wang,X.M.Shi 

10:20 352. Pyrimidine-Mannich base hybrids 

as antitubercular agents: Facile synthesis 

with ZnBF 4 in THF/water biphasic 

system. M. S. Chorghade, 

A. M. Rahatgaonkar, N. K. Longadge 

10:40 353. Catalytic stereoselective allene 

oxidation: Reagent controlled spirodiepoxide 

formation. G. Hu, M. A. Drahl, 


11:00 354. Asymmetric reduction by chiral 

reagents. M. S. Chorghade, 

R. S. CHORGHADE,R.H.Grubbs, 

C. S. Daeffler 

11:20 355. Organocatalytic synthesis of 

spiro compounds. R. Rios, 

X. Companyó, A. R. Alba, A. Moyano 

11:40 356. Organocatalytic oxazolone addition 

to 1,2-bisphenylsulfonylethene. 

R. Rios, N. Bravo, A. R. Alba, G. Valero, 

X. Companyó, A. Moyano 

Section A 


Ballroom East 

JOC: Defining the Frontiers of Organic 

Chemistry for 75 Years 

R. Boeckman, Organizer 

C. Burrows, Organizer, Presiding 

8:30 357. Organotrifluoroborates: Organoboron 

reagents for the 21st century. 

G. Molander 

9:10 358. Fluorescent tools for chemical biology. 

B. Imperiali 

9:50 359. Explorations of organic chemistry 

with catalytic amino acids and peptides. 

S. J. Miller 

10:30 360. Art of building small. 

B. L. Feringa 

11:10 361. Complex alkaloid total synthesis. 

M. Movassaghi 

11:50 Concluding Remarks (C. J. Burrows) 

Section G 


Room 207 





B. Shi, Presiding 

8:40 362. Reactivity of photochemically 

generated atomic oxygen in aqueous media. 

R. D. McCulla 

9:00 363. Gas-phase nucleophilic and elimination 

reactions in simple alkyl nitrates. 

J. M. Riveros, T. C. Correra 

9:20 364. Mechanisms of lithium cuprate 

coupling reactions: A computational 

study. L. M. Pratt 

9:40 365. Fiber-optic singlet-oxygen [ 1 O 2 

( 1 ‚ g)] generator device serving as a point 

selective sterilizer. D. Aebisher, 

M. Zamadar, A. Mahendran, G. Ghosh, 

C. McEntee, A. Greer 

10:00 366. Exciton transfer rate between 

conjugated polymer chains. Q. Lu,M.Li, 

X. Lin 

10:20 367. QM/MM molecular dynamics 

simulations provide insight into the photoisomerization 

mechanism of retinal in 

rhodopsin and an artificial molecular 

switch. I. Schapiro, M. Olivucci 

10:40 368. Test to evaluate the performance 

of aromaticity descriptors in all-metal and 

semimetal clusters: An appraisal of electronic 

and magnetic indicators of aromaticity. 

J. Poater, F. Feixas, 

J. Jimenez-Halla, E. Matito, M. Solà 

11:00 369. The Thorpe-Ingold effect on 

the Bergman cyclization of an elevencarbon 

monocyclic enediyne: Theoretical 

studies. E. M. Greer, O. Lavinda 

11:20 370. Ab initio study of cerium(III) trapping 

by the Schiff-base complex N,N�bis[2-(salicylideneamino)ethyl]ethane- 

1,2-diamine for sensing applications. 

A. L. Botelho, S. Gopalan, X. Lin 

11:40 371. Functionalization of multilayer 

fullerenes (carbon nanoonions) using diazonium 

compounds and click chemistry. 

K. Flavin, M. Chaur, L. Echegoyen, 

S. Giordani 


the Interface 







Section A 


Ballroom East 

Tetrahedron Prize for Creativity in Organic 

Chemistry 

Contemporary Methods in Organic 

Synthesis 

S. Hall, D. Francissen, Organizers 

S. Martin, Presiding 

1:00 Introductory Remarks: Stephen F. Martin, 

Presiding 

1:05 372. New catalytic strategies for chemical 

synthesis. M. J. Gaunt 

2:00 373. Catalysis and cascades in complex 

alkaloid natural product synthesis. 

D. J. Dixon 

2:55 374. Exocyclic and acyclic stereocontrol 

in catalyzed reactions of ethylene: 

Asymmetric hydrovinylation reactions in 

natural product synthesis. T. RajanBabu 


3:55 Award Presentation: H. Waldmann & D. 

Francissen 

4:05 375. Award Address (Tetrahedron 

Prize for Creativity in Organic Chemistry, 

sponsored by Elsevier). Changing face of 

organic synthesis. S. V. Ley 

5:05 Concluding Remarks: S. F. Martin 

Section C 


Room 206A 



C. Larsen, Presiding 

1:00 376. Organocatalytic amination of allenyl 

esters and subsequent cyclization to 

form azaproline derivatives. P. Maity, 

S. D. Lepore 

1:20 377. Enhanced hydrogen bond donor 

catalysis. A. E. Mattson,S.S.So, 

J. A. Burkett 

1:40 378. Synthesis and fast Diels-Alder/ 

cross coupling reactions of boron substituted 

1,3-dienes. L. Wang, M. E. Welker, 

M. W. Wright, C. Day 

2:00 379. Skeletal diversity via cationic rearrangements 

of substituted dihydropyrans. 

M. R. Medeiros, R. S. Narayan, 

S. E. Schaus, J. A. Porco, Jr 

2:20 380. Rhodium-catalyzed transformations 

of non-sulfonyl 1,2,3-triazoles. 

M. Zibinsky, V. Fokin 

2:40 381. Attoreactors: Chemical reactions 

carried out on a zeptomol (10 -21 mol) 

scale. P. Anzenbacher, M. A. Palacios 

3:00 382. XtalFluor-salts: Selective fluorination 

reagents with enhanced thermal stability 

and ease of handling. A. L’Heureux, 

M. Couturier, F. Beaulieu, C. Bennett, 

D. Bill, S. Clayton, F. LaFlamme, 

M. Mirmehrabi, S. Tadayon, D. Tovell 

3:20 383. Zinc-mediated chain extension as 

an approach for the synthesis of papyracillic 

acid C. J. R. Mazzone, 

C. K. Zercher 

3:40 384. Carbon-carbon bond formation 

and pyrrole synthesis via the [3,3] sigmatropic 

rearrangement of O-vinyl oxime 

ethers. L. L. Anderson,H.Wang, 

D. S. Mueller, R. Sachwani, 

H. N. Londino, A. Papirnyak 

4:00 385. Investigation onto the use of silica-supported 

amines within packed-bed 

and microstructured catalytic flow reactors. 

L. Soldi, R. Maggi, G. Sartori, 

S. Loebbecke 

4:20 386. Para-selective direct arylation of 

anisoles and aniline derivatives. 

J. R. Brandt, C. Ciana, F. M. Meyer, 

R. J. Phipps, M. J. Gaunt 

4:40 387. Synthetic studies of a regiospecific 

trisubstituted aziridine ring opening 

reaction. B. Kelley, M. M. Joullie 

5:00 388. Palladium-catalyzed intramolecular 

carboesterification of olefin. Y. Li, 

D. Song, D. M. Vy 

Section D 


Room 203 


Processes 


K. Wang, Presiding 

1:00 389. Synthesis of Pin1 WW domain libraries 

via solid-phase phosphorylation. 

X. R. Chen, A. Y. Mercedes-Camacho, 

F. A. Etzkorn 

1:20 390. Chemoselective Staudinger-phosphite 

reactions: Applications to the phosphorylation 

and PEGylation of proteins. 

C. P. Hackenberger 

1:40 391. Design of a continuous flow system 

for the iterative cross aldol condensation 

of aldehydes. S. A. France 

2:00 392. Development of gadolinium and 

xenon-based probes for MR molecular 

imaging. B. DeBoef 

2:20 393. Derivatives of ganglioside G M1 to 

facilitate imaging and functional studies. 

Z. Liu, K. Kumar 

2:40 394. Novel inhibitors of fibroblast 

growth factor receptor 1 kinase: Lead optimization 

of thienopyrimidinones by 

structure-based design. A. R. Ekkati, 

K. P. Ravindranathan, V. Mandiyan, 

J. H. Bae, J. Schlessinger, 


3:00 395. Synthesis and biological evaluation 

of 3, 5-disubstituted isoxazolines as 

potential antitumor agents. 

M. S. Chorghae, A. M. Rahatgaonkar, 

K. R. Lanjewar, B. D. Saraf 

3:20 396. Pyrimidine derivatives as COX-1 

and COX -2 inhibitors. M. S. Chorghade, 

R. P. Dhankar, A. M. Rahatgaonkar 

3:40 397. Mtb Bla-specific fluorescent 

probes for tuberculosis detection and imaging. 

H. Xie, J. Rao, J. Mire, 

J. C. Sacchettini, Y. Kong, J. D. Cirillo 

4:00 398. Discovery and synthetic development 

of novel sterols as antileishmanial 

agents. D. Abdelhamid,L.Pan, 

A. Kinghorn, C. M. Lezama-Davila, 

A. Satoskar, J. R. Fuchs 

4:20 399. De novo asymmetric synthesis of 

�-6-deoxyidopyranoside via Wharton rearrangement. 

H. Wang,G.A.O’Doherty 

4:40 400. Synthesis of a highly branched oligosaccharide. 

G. A. O’Doherty, S. Kang 

5:00 401. Protein cage polymer hybrid as a 

potential MRI contrast agent. 

M. J. Abedin, L. Liepold, M. Young, 

T. Douglas 

Section E 


Room 204A 



S. Waters, Presiding 

1:00 402. Total synthesis of reserpine: Using 

C-3 as an element for stereocontrol. 

G. A. Barcan, O. Kwon 

1:20 403. Electron transfer photoredox catalysis: 

Applications in complex molecule 

synthesis. J. M. Narayanam, 

S. Diethelm, L. Furst, C. R. Stephenson 

1:40 404. Convergent total synthesis of dinophysistoxin-2. 

Y. Pang, C. J. Forsyth 

2:00 405. Enantioselective formal total synthesis 

of (�)-aspergillide C. 

J. D. Panarese, S. P. Waters 

2:20 406. Progress toward the total synthesis 

of stemocurtisine utilizing an asymmetric 

Stetter reaction. D. M. Rubush, 

T. Rovis 

2:40 407. Progress towards a total synthesis 

of the selective cytotoxic natural product 

maoecrystal V. D. D. McLeod, 

W. J. Chain, M. Naylor, C. S. Jeffrey, 

E. J. Sorensen 

3:00 408. Approaches to the synthesis of 

auxofuran. R. P. Loach, J. Boukouvalas 

3:20 409. Total synthesis of Celogentin C via 

stereoselective C-H activation. Y. Feng, 

G. Chen 

3:40 410. Studies toward the total synthesis 

of acremoxanthones. A. J. Little, 

J. A. Porco 

4:00 411. Continued progress toward the 

expedient syntheses of cephalostatin 

“North 1” analogs. D. P. Jamieson, 

P. L. Fuchs 


Aspergillide. Y. Xing, G. A. O’Doherty 

Section F 


Room 204B 



S. Kulyk, Presiding 

1:00 413. Enantioselective rhodium(II)-catalyzed 

cyclopropanation of alkenes with 

�-EWG diazoacetophenones: PMP-ketones 

as stereoselectivity controllers. 

V. N. Lindsay, A. B. Charette 

1:20 414. Synthetic utility of W-alkylidene 

monopyrrolide alkoxide complexes in olefin 

metathesis. Y. Zhao, A. H. Hoveyda, 

R. R. Schrock 

1:40 415. Asymmetric arylhalogenation of 

terminal olefins. A. Kubota, 

M. S. Sanford 

2:00 416. Asymmetric intramolecular alkene 

cyanoamidation via carbon–carbon 

sigma bond activation: Total synthesis of 

(–)-Quebrachamine. V. J. Reddy, 

C. J. Douglas 

2:20 417. Asymmetric �-alkylation of ketones 

via activated hydrazones. 

D. M. Coltart 

2:40 418. Toward the total synthesis of 20deoxyapoptolidinone. 

V. M. Lombardo 

3:00 419. New applications of asymmetric 

dienamine catalysis. M. Christmann, 

J. Stiller, E. Marques-Lopez, R. P. Herrera 

3:20 420. Work toward the total synthesis of 

pycnanthuquinone A via an asymmetric 

Morita-Baylis-Hillman reaction. 

A. M. Wensley, S. E. Schaus 

3:40 421. Design and development of novel 

chiral ligands for metal and organo catalysis. 

S. Rasapalli,V.Kumbam,M.Yu 

4:00 422. Development of the asymmetric 

intermolecular Stetter reaction catalyzed 

by N-heterocyclic carbenes. D. DiRocco 

4:20 423. Chemical synthesis of micromide. 

M. B. Bergdahl, I. Nevchas, M. Parker, 

L. Wang, J. Duensing 





ORGN 

TECH–89


4:40 424. Practical large scale synthesis of 

(4R,5R)-(-)-4,5-O-isoproylidene-2-cyclopentanone. 

V. R. Neelagiri, C. Moon, 

M. Neelagiri, K. Vines,H.Kim,R.Rajur 

Section G 


Room 207 





E. Greer, Presiding 


the first nonacene derivative. I. Kaur, 

G. P. Miller 

1:20 426. Rational design of pentacene derivatives 

with truly exceptional photooxidative 

resistances. I. Kaur, G. P. Miller 

1:40 427. Ionic liquid impact on reaction 

outcomes: A rational mechanism-based 

approach. A. K. Croft,J.B.Harper, 

H. Yau, S. G. Jones, S. A. Barnes, 

J. M. Hook 

2:00 428. Computational studies on site-selective 

C-H oxidation. R. S. Paton, 

K. N. Houk 

2:20 429. Perylenediimide as base-pair surrogates 

in DNA hairpins: Effect of the 

number of base-pairs separating two PDI 

chromophores on stability and spectroscopic 

properties. T. A. Zeidan, 

F. D. Lewis 

2:40 430. Theoretical study of the groundstate 

electronics of acenes and substituted 

acenes including organothio substituted 

pentacenes, heptacenes, and 

nonacenes. R. P. Kopreski, G. P. Miller 

3:00 431. Probing CH – � interactions by 

dynamic NMR studies of substituted 

o-quinodimethane [60]fullerene Diels-Alder 

adducts. R. P. Kopreski,J.B.Briggs, 

G. P. Miller 

3:20 432. Bis-Peptide scaffolds as designed 

probes for electron transfer phenomena. 

M. F. Parker, C. E. Schafmeister, 

D. H. Waldeck 

3:40 433. Reduction of 4-tertbutylcyclohexanone 

with complex metalhydrides. 

S. Narayan, W. Diehl, J. Townsend 

4:00 434. pH-responsive particles for anticancer 

drug delivery. B. Gordon, D. Lim, 

E. Achinivu, C. Luckett, S. Ehrman, 

D. English 

4:20 435. Regio-selective radiofluorination 

of diaryliodonium salts. Y. Lee, 

M. Hodoscek, J. Chun, V. W. Pike 

Section B 


Room 205A/B 

Robert Burns Woodward Memorial 

Symposium 

R. Williams, L. T. Scott, Organizers 

W. Greenlee, Organizer, Presiding 

1:30 436. Looking back: Linkage through 

structure, symmetry, synthesis, spectroscopy, 

and mechanism. T. R. Hoye 

2:20 437. Quinine! A story of chemistry, history, 

personalities, and ethics. 

R. M. Williams,A.C.Smith 


3:30 438. Was plagiarism involved in the development 

of the Woodward—Hoffmann 

rules? J. I. Seeman 

4:20 439. Towards linking tumor genomic 

signatures to cancer therapeutics. 

S. L. Schreiber 

90–TECH 



the Interface 





PRES 



Hall C 

Sci-Mix 


8:00–10:00 

155, 156, 163, 188, 198, 202, 204, 210, 216, 

223, 227, 229, 231, 252, 254, 271, 299. 

See previous listings. 

583, 588, 590, 592, 595, 603, 615, 616, 624, 

631, 638, 641, 657, 658, 662, 666, 672, 

702, 708, 724, 740, 742, 744, 932, 934, 

936, 939, 940, 948, 949, 950, 959, 981, 

987, 988, 993, 997, 1008, 1021, 1023, 

1039, 1070, 1082, 1085, 1091, 1092. See 

subsequent listings. 


Section A 


Ballroom East 

Arthur C. Cope and Arthur C. Cope 

Scholars Award Symposium 


G. Molander, Presiding 

8:00 440. Award Address (Arthur C. Cope 

Scholar Award (CSM) Sponsored by 

Arthur C. Cope Fund). Orotidine 5�monophosphate 

decarboxylase: Mechanism 

and intrinsic binding energy. 

J. A. Gerlt 



Arthur C. Cope Fund). Molecular reporters 

for cellular imaging based on synthetic 

fluorophores and enzymatic ligases. 

A. Y. Ting 



Arthur C. Cope Fund). Molecular imaging 

approaches to understanding chemistry 

in the brain. C. J. Chang 



Arthur C. Cope Fund). Organic synthesis 

and molecular design in today’s medicine. 

A. K. Ghosh 



Arthur C. Cope Fund). Chemical intervention 

into bacterial cell-cell signaling. 

H. E. Blackwell 



Arthur C. Cope Fund). Imaging of single 

organic molecules in motion. 

E. Nakamura 

Section B 


Room 205A/B 

Young Academic Investigators 

L. McElwee-White, H. Davies, Organizers, 

Presiding 

8:00 446. Strong CH hydrogen bonds and 

the photodriven regulation of anions. 

A. H. Flood, Y. Hua, K. P. McDonald, 

S. Lee 

8:30 447. Chemical insights from molecular 

force probes. R. Boulatov 

9:00 448. Cyclopropenones and cyclopropenium 

ions: Reaction, design, and catalysis. 

T. Lambert 

9:30 449. Developing the basic science and 

applications of boron(B)-nitrogen(N)-containing 

heterocycles. A. J. Marwitz, 

E. R. Abbey, P. G. Campbell, A. N. Lamm, 

S. Liu 

10:00 450. Enantioselective approach to 

lactones: Design, scope, and mechanism. 

V. M. Dong 

10:30 451. Metallonitrene/alkyne metathesis 

and beyond: Transition metal catalyzed 

oxidative amination for organic synthesis. 

S. B. Blakey 

11:00 452. Design and development of catalytic 

reactions involving organometallic 

nucleophiles. E. R. Jarvo 

11:30 453. Transition-metal catalyzed fluorination. 

T. Ritter 

Section C 


Room 206A 



T. Driver, Presiding 

8:00 454. Rapid synthetic organic reaction 

analysis using ion mobility spectrometry. 

C. A. Krueger, C. Wu, A. J. Midey, 

S. X. Li, F. J. Antosz, Z. Zhang, G. Goetz 

8:20 455. Nucleophilic catalysis by anilines 

in reactions of reducing carbohydrates. 

M. B. Thygesen, H. Munch, K. J. Jensen 

8:40 456. Diversity-oriented synthesis of 

Gewald thiophene scaffolds via isocyanide-based 

multicomponent reactions. 

Y. Huang,A.Dömling 

9:00 457. Spiropiperidine and fused ring 

systems from pyridine dearomatization. 

S. G. Parameswarappa,F.C.Pigge 

9:20 458. Allylic C—H amination for the 

preparation of syn-1,3-amino alcohol motifs. 

G. T. Rice, M. White 

9:40 459. Novel approach to the synthesis 

of omeprazole: An anti-peptic ulcer 

agent. R. Bandichhor 

10:00 460. Ru-catalyzed ring-closing metathesis-isomerization 

cascade reactions. 

T. E. Nielsen, E. Ascic, J. F. Jensen 

10:20 461. Bismuth-initiated reactions toward 

stereoselective syntheses of tetrahydropyrans 

and dihydropyrans. 

R. J. Hinkle, R. F. Lambert, 

S. E. Ammann, L. C. Speight, J. Liu, 

Y. Lian 

10:40 462. Pyridine elaboration through direct 

functionalization reactions. 

J. J. Mousseau, A. B. Charette 

11:00 463. Palladium-catalyzed functionalization 

of alkenes via C-H activation using 

hypervalent iodine reagents. 

L. T. Pilarski, N. Selander, D. Böse, 

K. J. Szabó 

11:20 464. Asymmetric addition of organoindium 

and organobismuth reagents 

to electrophilic carbons. 

N. Balasubramanian, G. R. Cook, 

A. J. Ostlund 

11:40 465. Metal-free alkene dioxygenations 

using hydroxamic acids. V. A. Schmidt, 

E. J. Alexanian 

12:00 466. Formal [2 � 2 � 2] cycloaddition 

strategy based on an intramolecular 

propargylic ene reaction/Diels-Alder cycloaddition 

cascade. 

J. M. Robinson-Surry, T. Sakai, 


Section D 


Room 203 

Heterocycles and Aromatics 


W. Zhang, Presiding 

8:00 467. Patterns of �-electron delocalization 

in aromatic and antiaromatic organic 

compounds in the light of the Hückel’s 

4n�2 rule. J. Poater, F. Feixas, E. Matito, 

M. Solà 

8:20 468. Multicomponent reaction of cyanoacetamides: 

One starting material and 

many scaffolds. K. Wang, A. Doemling 

8:40 469. Convenient approach for the synthesis 

of isoxazoles and application to 

nucleoside and oligonucleotide conjugation. 

A. M. Jawalekar, F. P. Rutjes, 

F. L. van Delft 

9:00 470. Selective C-H arylation and alkenylation 

of free-(NH2) adenines and related 

heterocycles: Rapid access to potent 

Hsp90 inhibitors. S. Sahnoun, 

S. Messaoudi, J. Peyrat, J. Brion, 

M. Alami 

9:20 471. Isolation and characterization of 

an unusual N-alkenyl pyridone. 

C. E. Anderson 

9:40 472. Reactivity of tethered diyne-�,�unsaturated 

carbonyl compounds in 

[2�2�2] cyclizations: Synthesis and diversification 

of densely functionalized 

heterocyclic scaffolds. A. L. Jones, 

J. K. Snyder 

10:00 473. 2D adapted Su-Schrieffer-Heeger 

model for conducting polymer polypyrrole. 

M. Li,X.Lin 

10:20 474. Efficient synthesis of a thioglycosylated 

chlorins and isobacteriochlorins 

for bioimaging and diagnostics. S. Singh, 

J. P. Tome, M. Vinodu, C. M. Drain 

10:40 475. Rhodium-catalyzed cycloaddition 

of benzamides and alkynes via C-H/ 

N-H activation. T. K. Hyster,T.Rovis 

11:00 476. Preparation and evaluation of 

steroid-porphyrin conjugates as photodynamic 

therapy agents. S. Sadler,R.Ray, 

G. B. Jones 

11:20 477. Aromaticity indices of thiophene 

and furan based on the NMR spectroscopic 

studies of 1-aryl-3-heteroarylpropen-1-ones. 

C. Lee 

Section F 


Room 204B 

Metal-Mediated Reactions and Syntheses 


C. Douglas, Presiding 

8:00 478. Relating catalyst structure to reactivity: 

A rationally-designed NHC-Pd catalyst 

for amination and sulfination. 

M. G. Organ 

8:20 479. Development of a Pd(II)-catalyzed 

3-step cascade sequence to produce 

1-aryl-3-vinyl-isoindolines. F. J. Williams, 

E. Jarvo 

8:40 480. Novel and rapid access to Lysergic 

acid: A remarkable triple tandem 

domino reaction. A. Boyer, T. Gilles, 

M. Lautens 

9:00 481. Silylene transfer to allylic sulfides: 

Episulfonium ion formation to afford substituted 

silacyclobutanes. B. J. Ager, 

L. E. Bourque, K. M. Buchner, 

K. A. Woerpel 

9:20 482. Palladium-NHC catalyzed cyclopentannulation 

of diazabicyclic alkenes: 

Direct access to cyclopenta[b]benzofuran 

derivatives. B. Bhanu Prasad, 

A. E. Buechele, S. R. Gilbertson 

9:40 483. Nickel-catalyzed reductive crosscoupling 

of aryl halides with alkyl halides. 

D. A. Everson,D.J.Weix 

10:00 484. Apparent copper(II) catalyzed 

azide-alkyne cycloaddition. 

W. S. Brotherton,L.Zhu 

10:20 485. Systematic investigation into the 

nature of Au (I) catalysts using propargyl 

Claisen rearrangements. D. V. Vidhani, 

M. E. Krafft, J. W. Cran, M. Mariappan 






consent from ACS.

10:40 486. Utilization of Stille cross coupling 

protocol for the synthesis of series of biaryl-8-oxabicyclo[3.2.1]octane-2-carboxylic 

acid methyl esters. L. Torun, 

P. C. Meltzer 

11:00 487. Palladium-catalyzed propargylic 

substitution with phosphorus nucleophiles. 

M. Kalek, M. Jezowska, 

J. Stawinski 

Section G 


Room 207 

Material, Devices and Switches 


E. Bauer, Presiding 

8:00 488. Luminescent phosphonium-bearing 

polyelectrolytes. E. G. Tennyson, 

T. Maltais, R. C. Smith 

8:20 489. Novel crosslinking agents for the 

control of inter-pi-system interactions in 

organic semiconducting polymers. 

A. Mangalum, R. C. Smith 

8:40 490. High performance organic field effect 

transistors from an organic single 

crystal micro-ribbons by solution process. 

Y. Zhou, T. Lei, J. Pei, J. Wang 

9:00 491. Corannulene based blue emitters. 

P. Bachawala,J.Mack 

9:20 492. Easy access to a family of polymer 

catalysts from modular star polymers. 

V. O. Rodionov, H. Gao, S. Scroggins, 

D. A. Unruh, A. Avestro, J. M. Fréchet 

9:40 493. Chemical vapor detection using 

reduced graphene oxide. S. K. Manohar 

10:00 494. Boolean solid-state porosity 

switching in a molecular organic solid. 

J. T. Jones, T. Mitra, T. Hasell, 

D. Holden, J. Bacsa, A. Steiner, 

A. Trewin, A. I. Cooper 

10:20 495. Supramolecular coupling agents 

for adhesion promotion at interfaces. 

C. A. Anderson, D. W. Kuykendall, 

E. M. Briggs, S. C. Zimmerman 

10:40 496. Redox active mesoporous hybrid 

materials by incooperation of (oligo)phenothiazines 

into structured silica phases. 

A. W. Franz 

11:00 497. Functionalizable boron-incorporating 

polycyclic aromatics built upon the 

seven-membered borepin ring structure. 

A. Caruso Jr., M. A. Siegler, J. D. Tovar 

11:20 498. Sub-ppm nerve agent detection 

with chemically functionalized silicon 

nanoribbon field-effect transistors. 

A. Carella, S. Clavaguera, C. Celle, 

L. Caillier, S. Lenfant, D. Vuillaume, 

J. Simonato 


sulfated, dextran coated iron oxide nanoparticles 

for MRI of macrophages. C. Tu, 

A. Louie 

12:00 500. Expansile polymeric nanoparticles 

for the treatment of breast cancer. 

K. V. Zubris, A. P. Griset, R. Liu, 

Y. L. Colson, M. W. Grinstaff 

Section E 


Room 204A 



S. Wiskur, Presiding 

8:20 501. Synthetic studies on muraymycin 

A1. M. Kurosu, K. Li, C. Schneider 

8:40 502. Spirodiepoxide-based domino sequences 

in total synthesis. L. J. Williams 

9:00 503. Concise access to Xenicane diterpenes 

and close biogenetic relatives. 


9:20 504. Fused bicyclo[2.2.2]octanes: Toward 

the core of atropurpuran. 

M. J. Smith, J. A. Malona, E. J. Sorensen 

9:40 505. Enantioselective synthesis of (�)isolysergol 

via ring closing metathesis. 

J. A. Deck, S. F. Martin 

10:00 506. Synthetic efforts mediate a 

structural reassigment of the M. tuberculosis-produced 

natural product, Edaxadiene. 

J. E. Spangler, C. A. Carson, 



several cleistriosides and cleistetrosides. 

B. Wu, M. Li, G. A. O’Doherty 

10:40 508. Evaluation of an oxidative BDring 

formation from a Diels-Alder derived 

pyrrole-imidazole intermediate en route 

to the polyheterocyclic core of 

palau’amine. T. Doundoulakis, 

C. J. Lovely 

11:00 509. Fragment-based domain shuffling: 

An approach facilitating downstream 

drug discovery. E. Comer, 

A. Clabault, H. Liu, L. A. Marcaurelle 

11:20 510. Total synthesis of jadomycin A 

and cyclitol analog of jadomycin B. 

E. U. Sharif, G. A. O’Doherty 

11:40 511. Enantioselective synthesis of indole 

alkaloids of the ervatamine-silicine 

group. B. Checa, N. Llor, M. Amat, 

J. Bosch 



and ORGN 

Process Chemistry: The Role of Organic 

Synthesis in Early Clinical Drug 

Development Sponsored by MEDI, 

Cosponsored by ORGN 


Section B 


Room 205A/B 

Young Academic Investigators 

L. McElwee-White, H. Davies, Organizers, 

Presiding 

1:00 512. Stimuli-responsive polymer-protein 

conjugates and “sweet-tooth” micelles. 


1:30 513. Chemical tools for mapping protein 

S-nitrosation. M. Xian 

2:00 514. Engineering Streptomyces bacteria 

as lignocellulosic biorefineries. 

J. K. Sello 

2:30 515. Painting the cysteine chapel: New 

tools to probe oxidation biology. 

K. S. Carroll 

3:00 516. Studying the bacterial cytoskeleton 

using a chemical biological approach 

provides new opportunities for antibiotic 

development. D. B. Weibel,Y.Eun, 

M. Foss 

3:30 517. Chemical approaches to the investigation 

of protein-membrane binding 

interactions using synthetic lipid probes. 

M. D. Best, M. D. Smith, D. Gong, 

M. M. Rowland, H. E. Bostic, E. A. Losey 

4:00 518. New unnatural products by harnessing 

biosynthesis. R. J. Goss 


carbon–carbon bond forming reactions 

for organic synthesis. R. J. Thomson 

Section C 


Room 206A 

New Technologies to Expedite Research in 


C. Welch, Organizer, Presiding 

1:00 520. New tools and technologies for 

supporting drug development. 

J. M. Hawkins 

1:30 521. Reaction discovery approaches to 

chemical diversity. J. A. Porco 

2:00 522. Low-barrier high-throughput experimentation 

tools for efficient chemistry 

development. S. D. Dreher 

2:30 523. Automation for enabling high 

throughput reaction discovery. 

J. C. Conrad, D. W. MacMillan 

3:00 524. Implementation of a flexible strategy 

for automating decision-enabling 

process development workflows. 

E. Rubin, T. Kudla, M. Liu, J. Qiu, 

V. Rosso, V. Vydra, R. Waltermire 

3:30 525. Automation and robotics in an academic 

organometallic chemistry research. 

S. C. Virgil,K.M.Kuhn, 

J. B. Matson, S. R. Golisz, N. Hazari, 

R. H. Grubbs, J. E. Bercaw, B. M. Stoltz 

4:00 526. Current state and future prospects 

for high throughput mass directed purification 

technologies. J. W. Eschelbach, 

G. Bi, L. Miller, W. Goetzinger 

4:30 527. Micro- and mesoscale flow synthesis 

promoted by microwave irradiation: 

Is it a sustainable technology? 

M. G. Organ 

Section D 


Room 203 



D. Klumpp, Presiding 

1:00 528. Novel monomers and polymerization 

strategies for organic semiconducting 

polymers. R. C. Smith 

1:20 529. Steric coordination control in conducting 

metallopolymers: Photophysics 

and electrochemistry. R. C. Smith,S.He 

1:40 530. N-heteroacenes: Promising materials 

for organic electronic devices. 

A. L. Appleton,U.H.Bunz 

2:00 531. Construction of protected hydroxylated 

pyrrolidines using nitrogencentered 

radical cyclizations. 

M. Zlotorzynska, H. Zhai, G. Sammis 

2:20 532. Fluorous linker facilitated synthesis 

of heterocyclic systems. W. Zhang 

2:40 533. Process development of a Corticotropin-Releasing 

Factor 1 (CRF1) receptor 

antagonist. C. Sfouggatakis, 

S. Broxer, M. Fitzgerald, J. P. Sherbine 

3:00 534. Exploring the barriers to metalfree 

carbon nanotube growth. E. H. Fort, 

L. T. Scott 

3:20 535. Solid-phase synthesis of cleavable 

fluorescently labeled nucleotides for 

DNA sequencing. K. Ko, E. Roller, 

X. Huang 

3:40 536. New synthetic route to benzannulated 

corannulenes. N. J. Smith, 

L. T. Scott 

4:00 537. Design, synthesis and characterization 

of a diverse pyrazolopyrrolidinone 

library. L. E. Brown,S.E.Schaus 

4:20 538. Progress toward a [10,10] carbon 

nanotube end-cap. J. M. Quimby, 

L. T. Scott 

4:40 539. Resolution and racemization kinetics 

of cross-bridged cyclam. 

A. Y. Odendaal, B. T. Li, G. R. Weisman, 

E. H. Wong, J. A. Golen, A. L. Rheingold 

5:00 540. Synthesis of Lavendamycin analogs 

via cycloisomerization reactions of 

propargylamides. G. Verniest, 

D. England, X. Wang, N. De Kimpe, 

A. Padwa 

Section E 


Room 204A 

Molecular Recognition and Self-Assembly 


Y. Luk, Presiding 

1:00 541. Noncovalent chemistry of �-extended 

tetrathiafulvalene derivatives and 

fullerenes. E. M. Perez, H. Isla, 

M. Gallego, N. Martin 

1:20 542. Cucurbit[n]uril – metal nanoparticle 

composites: Synthesis, self-assembly, 

and applications. T. Lee,S.Jones, 

R. Coulston, O. A. Scherman 

1:40 543. Triply interpenetrated covalent organic 

cages. T. Hasell,X.Wu, 

J. T. Jones, J. Bacsa, A. Steiner, T. Mitra, 

A. Trewin, D. J. Adams, A. I. Cooper 

2:00 544. Novel method for synthesizing 

self-assembled porous organic cages. 

S. Jiang, D. Adams, A. Trewin, A. Cooper 

2:20 545. Anionic amphiphilic dendrimers as 

broad spectrum antimicrobial agents. 

M. A. Mintzer, M. W. Grinstaff 

2:40 546. Coordination vs. hydrogen bonddriven 

self-assembly: A directed stereospecific 

single crystal – single crystal 

(SCSC) solid-state photodimerization of a 

trisubstituted olefin. E. Elacqua, 

J. C. Sumrak, L. R. MacGillivray 

3:00 547. Pharmaceutical co-crystals of 

chiral APIs: Crystal engineering and solidstate 

properties. E. Elacqua, S. Chen, 

R. F. Henry, G. G. Zhang, 

L. R. MacGillivray 

3:20 548. Turn-on fluorescence: Utilizing the 

principles of dynamic combinatorial 

chemistry for developing molecular sensors. 

M. V. Maddipatla, A. M. Roland, 

M. L. Waters, M. R. Gagné 

3:40 549. Preparation of [3]pseudorotaxanes 

and pseudorotaxane-type non-covalent 

polymers based on bis(meta-phenylene)-32-crown-10 

cryptand. Z. Niu, 

H. W. Gibson 

4:00 550. Self-assembly of dendronized triphenylenes 

into helical pyramidal columns 

and chiral supramolecular spheres. 

M. R. Imam, V. Percec 

4:20 551. Supramolecular polymeric nanowires 

with tunable colors: Nucleation 

growth and direct functionalization. 

T. Lei, C. Cheng, C. Zheng, Y. Zhou, 

D. Liang, J. Pei 

4:40 552. Assembly of phthalocyanines into 

stacked columns within 2D covalent organic 

frameworks. E. L. Spitler, 

W. R. Dichtel 

Section F 


Room 204B 



E. Alexanian, Presiding 

1:00 553. C-C Bond formation via double 

C-H functionalization. B. DeBoef 

1:20 554. Diastereoselective rhodium-catalyzed 

ene-cycloisomerization of alkenylidenecyclopropanes: 

Application to the 

total synthesis of (–)-�-kainic acid. 

P. A. Inglesby,P.A.Evans 

1:40 555. Gold-catalyzed Claisen rearrangement 

of allenyl vinyl ethers: Synthesis of 

substituted 1,3-dienes. M. E. Krafft, 

K. M. Hallal 

2:00 556. Addressing synthetic challenges 

via iridium-catalyzed C-H borylation. 

D. W. Robbins, J. F. Hartwig 

2:20 557. How to make a gold catalyst “immortal”. 

T. Graf, N. B. Bowden 

2:40 558. Iron-catalyzed 1,4-additions to 

1,3-dienes. J. Wu, T. Ritter 

3:00 559. Building molecular complexity by 

carbon-carbon bond activation and related 

catalytic processes. C. J. Douglas 

3:20 560. Kinetic studies of metal promoted 

cyclizations of aromatic enynes. 

A. Franklin 

3:40 561. Nickel-catalyzed direct synthesis 

of 1,4-difunctionalized compounds. 

S. K. Rodrigo,H.Guan 

4:00 562. Efficient synthesis of �-hydroxy 

ketones and �-amino ketones from allylic 

alcohols by catalytic formation of ruthenium 

enolates. A. Bartoszewicz, 

M. Jezowska, K. Laymand, 

B. Martín-Matute 





ORGN 

TECH–91


4:20 563. Catalysis by metal nanoparticles. 

B. C. Ranu 

4:40 564. New iron complexes and their catalytic 

activity in C-C and C-O bond forming 

reactions. E. B. Bauer, M. Lenze, 

P. Shejwalkar 

Section G 


Room 207 



I. Aprahamian, Presiding 

1:00 565. Solution processable high band 

gap hosts based on carbazole functionalized 

cyclic phosphazene cores for application 

in organic light-emitting diodes. 

M. Soh, S. Santamaria, H. Bolink, 

A. Sellinger 

1:20 566. Synthesis of phenylene-containing 

acenoid structures. R. R. Parkhurst, 

T. M. Swager 

1:40 567. Photochemically triggered radical 

reactions on graphitic carbons. L. Soldi, 

R. J. Cullen, D. Jayasundara, D. Murphy, 

E. Scanlan, S. Giordani, P. E. Colavita 

2:00 568. Optimization of OLED power efficiency 

by chemical structure modification. 

A. B. Padmaperuma, P. K. Koech, 

L. Cosimbescu, E. Polikarpov, 

A. Von Ruden, J. E. Rainbolt, 

J. S. Swensen, L. Wang, J. T. Darsell, 

D. J. Gaspar 

2:20 569. Development and utility of a lightresponsive 

MRI T2 agent. E. A. Osborne, 

A. Y. Louie 

2:40 570. C 3-symmetric conjugation supported 

by tris(hydrazone) platform: Elucidation 

of tautomeric state and application 

to amine vapor sensing. H. Lee,X.Song, 

H. Park, D. Lee 

3:00 571. Connecting metal centers in solution 

with water soluble multi-walled carbon 

nanotubes. J. M. Schnorr, 

T. M. Swager 

3:20 572. N, N�-dicarbazolyl-4,4�-biphenyl 

(CBP) isomers with high triplet energies 

as hosts for blue phosphorescence: Synthesis, 

spectroscopy, and OLEDs. 

P. Anzenbacher, G. V. Zyryanov, 

C. Pérez-Bolívar, S. Takizawa 

3:40 573. Gilch and Horner-Wittig Routes to 

poly(p-phenylene vinylene) derivatives incorporating 

monoalkyl defect-free 9,9-dialkyl-1,4-fluorenylene 

units. 

B. J. Laughlin,R.C.Smith 

4:00 574. Poly(p-phenylenevinylene) derivatives 

with defined conjugation segments 

and post-polymerization modification 

with chromophores. A. A. Buelt, 

R. C. Smith 

4:20 575. Wound healing modulation and 

acceleration with novel nitric oxide releasing 

hybrid nanoparticles. 

A. Friedman, G. Han, L. Martinez, 

J. Nosanchuk, J. Friedman 

4:40 576. Nanoparticles as a novel topical 

delivery vehicle for therapeutics targeting 

erectile dysfunction. A. Friedman, 

G. Han, M. Tar, A. Melman, K. Davies, 

J. Friedman 

5:00 577. Mimicry of amyloid �-sheets. 

P. Cheng,J.S.Nowick 

92–TECH 


Section A 


Ballroom East 


Scholars Award Symposium 


P. A. Evans, Presiding 



Arthur C. Cope Fund). C—H Oxidation in 

organic synthesis. M. White 



Arthur C. Cope Fund). Complexity building 

reactions: Recent case studies. 

J. Johnson 



Arthur C. Cope Fund). Palladium-catalyzed 

oxidation reactions for organic synthesis. 

M. S. Sigman 



Arthur C. Cope Fund). Carbon dichloride: 

Dihalocarbenes sixty years after Hine. 

R. A. Moss 


Award Sponsored by Arthur C. Cope 

Fund). Pericyclic reactions: Reactivity, 

mechanisms, and dynamics. K. N. Houk 

Natural Products Biosynthesis Sponsored 

by BIOL, Cosponsored by MEDI and ORGN 



and ORGN 


Section A 


Hall C 

Asymmetric Reactions and Syntheses, 


Processes, Material, Devices & Switches 

and Peptides, Proteins & Amino Acids 


8:00–10:00 

583. Phosphine-catalyzed enantioselective 

formation of �-arylthio �,�-unsaturated 

esters from activated allenes. 

Y. Fujiwara, J. Sun, G. C. Fu 

584. Asymmetric aldol addition to cyclopentylpropynone 

gives key intermediate to 

antiviral drug candidate. J. Sieser, 

R. A. Singer, P. Bowles, D. Lafrance 

585. Enantioselective total synthesis of 

streptorubin B. D. X. Hu, M. D. Clift, 

R. J. Thomson 

586. Enantioselective bromolactonization of 

conjugated enynes. W. Zhang, S. Zheng, 

N. Liu, J. B. Werness, W. Tang 

587. Organocatalytic enantioselective hydroxyalkylation 

of indoles with trifluoroacetaldehyde 

hemiacetal catalyzed by 

cinchona alkaloids. D. Borkin,S.Landge, 

B. Torok 

588. Enantioselective Friedel-Crafts alkylation 

of indoles with chiral �-phenyl benzylic 

cations: Asymmetric synthesis of 

anti-1,1,2-triarylalkanes. J. Y. Chung, 

D. Mancheno, P. G. Dormer, R. G. Ball, 

N. N. Tsou 

589. Sulfinimine-mediated asymmetric synthesis 

of anti-a-alkyl b-amino Weinreb 

amides and ketones. P. Xu, F. A. Davis 

590. Asymmetric transfer hydrogenation of 

quinolines using tethered Ru (II) catalysts. 

V. Parekh, I. Lennon, J. Ramsden, 

M. Wills 

591. Highly active water-soluble and recyclable 

organocatalyst for the asymmetric 

1,4-conjugate addition of carbanion to 

�,�-unsaturated aldehydes. B. Ni, 

S. Ghosh, K. Dhungana, A. D. Headley 

592. Stereoselective copper-catalyzed synthesis 

of chiral 1,2- hydroxyalkyl moieties. 

M. Fañanás Mastral, B. L. Feringa 

593. Highly efficient synthesis of chiral epoxides 

via borane reduction of 2-haloketones 

catalyzed by spiroborate ester: 

Application to the synthesis of optically 

pure 1,2-hydroxy ethers and 1,2-azido alcohols. 

M. Ortiz-Marciales, K. Huang, 

H. Wang, M. De Jesús, C. Torruellas, 

W. Correa, V. Stepanenko 

594. Facile synthesis of [1,2,4]-triazolo[4,3- 

A]-pyridine and related derivatives. J. Liu, 

X. Lin, E. Liu 

595. Origin of stereoselectivity induced by 

Evans’ oxazolidinones in furan–oxyallyl 

(4�3) cycloadditions. E. H. Krenske, 

K. Houk, A. G. Lohse, J. E. Antoline, 

R. P. Hsung 

596. First asymmetric total synthesis of 3,3�biflavanone. 

B. Ma 

597. Highly selective organocatalytic 

Michael-Michael cascade reaction gives 

fused carbocycles. P. G. McGarraugh, 

S. E. Brenner 

598. Novel applications of BINOL-phosphates 

in asymmetric catalysis. 

A. Zamfir, C. Baudequin, S. B. Tsogoeva 

599. Asymmetric ketone and imine reductions 

using ruthenium catalysts. 

J. Hopewell, M. Wills, J. E. Martins 

600. Catalytic asymmetric synthesis of highly 

functionalized cis-aziridines via a general 

method for versatile diazoketones. 

H. Ren,W.D.Wulff 

601. Asymmetric synthesis of di- and trisubstituted 

cyclopropanes through an intramolecular 

ring closure. 

M. M. Mulhern, J. M. Kallemeyn, Y. Ku 

602. Synthetic strategies towards the synthesis 

of enantiopure diamines predicted 

to be a hundred million fold more basic 

than the original proton sponge. 

S. Purser, R. W. Alder, C. P. Butts, 

G. C. Lloyd-Jones 

603. Asymmetric organocatalysis using 

DPEN and proline derivatives. 

C. V. Manville, M. Wills, G. Docherty, 

G. Woodwood, R. Padda 

604. Recyclable fluorous organocatalysts for 

asymmetric synthesis. Z. Zhang, 

L. Wang, H. Zeng, W. Zhang 

605. Double stereodifferentiation in the imine 

substituent in aziridinations with diazoesters. 

L. Huang, Y. Zhang, 

W. D. Wulff 

606. CB-1 receptor antagonist process development. 

E. Reiff, L. Hobson, 

S. Brueggemeier, R. Deshpande, 

L. Greene, S. Kim, J. Li, L. Li, D. Lin, 

O. Lyngberg, M. Mahoney, G. Powers, 

X. Qian, B. Remy, V. Rosso, M. Sandoval, 

E. Tang, P. Tattersall, K. TenHuisen, 

C. Wei 

607. Donor-acceptor cyclopropanes as 

building blocks in (3�2) annulation reactions. 

A. T. Parsons, A. G. Smith, 

J. S. Johnson 

608. Practical stereoselective synthesis of 

(�)-polyoxamic acid via enatioselective 

phase-transfer catalytic Michael reaction 

and diastereoselective dihydroxylation. 

Y. Lee,S.Jew,H.Park 

609. Synthesis of microsclerodermins F, G, 

H&I.A. H. Rathi, T. J. Donohoe 

610. Development of a practical and efficient 

synthesis of chloromethyl 2-ethoxy-2methylpropanoate. 

W. Cai, 

R. Colon-Cruz, N. D. Ide, Z. Peng, 

J. A. Ragan, B. C. Vanderplas 

611. Design and synthesis of VANOL and 

VAPOL derivatives as new ligands. 

Y. Guan,W.D.Wulff 

612. Sample loading techniques for large 

scale flash chromatography. J. E. Silver, 

O. Mneimne, R. Pipes, M. Drooby 

613. Asymmetric electrocyclization induced 

by chiral oxazoline auxiliaries. K. Kim, 

K. A. Parker 

614. Vinylogous Mukaiyama approaches towards 

the stereoselective synthesis of 

bielschowskysin and norsecurinines. 

A. G. Macabeo, O. Reiser 

615. Organocatalytic addition of oxindoles to 

nitrosobenzene. R. Rios, X. Companyó, 

A. Moyano 

616. Regiocontrolled asymmetric �,�-bisand 

�,�,��,��-tetraalkylation of ketones 

via N-amino cyclic carbamate chiral auxiliaries. 

S. E. Wengryniuk,D.Lim, 

D. M. Coltart 

617. Design and synthesis of Cobalt(II) porphyrin 

catalysts for stereoselective interand 

intro-molecular cyclopropanation. 

X. Xu, S. Zhu, X. Cui, H. Lu, R. Joshua, 

P. Zhang 

618. Synthesis of functionalized cyclopentenones 

via Diels-Alder reaction of anthracene. 

G. Eaksinitkun, 

W. Phutdhawong, W. Phutdhawong 

619. Enantioselective synthesis of 1-vinyltetrahydroisoquinolines 

via Pd-catalyzed intramolecular 

allylic amination using novel 

diphosphonites and its application for the 

formal total syntheses of Schulzeines 

A-C. C. Lin,I.Ojima 

620. Enantioselective synthesis of 1-vinyltetrahydroisoquinolines 

through Pd-catalyzed 

intramolecular asymmetric allylic 

amination using novel monophosphoramidite 

ligands. C. Chien,I.Ojima 

621. Optically active 2-aryl cycloalkanones 

by catalytic asymmetric carbon insertion. 

V. L. Rendina,D.C.Moebius, 

J. S. Kingsbury 

622. Structure enantioselectivity relationship 

studies involving cinchona alkaloid 

dimers for the the stereoselective organocatalytic 

chlorolactonization. 

S. E. Marshall, R. Yousefi, 

A. Jaganathan, B. Borhan 

623. Recent developments in the Pauson 

Khand reaction of allenol-acetates. 

S. Majumder, K. M. Brummond 

624. Asymmetric synthesis of cyclic cis-�amino 

acid derivatives using sulfinimines 

and prochiral Weinreb amide enolates. 

N. Theddu, F. Davis 

625. Synthesis of novel Spiroaminoborates 

esters derived from nonracemic 1,2-Aminoalcohols. 

M. De Jesús, M. M. Padilla, 

V. Stepanenko, M. Ortiz 

626. Catalytic enantioselective synthesis of 

chiral allylboronates. J. E. Schultz, 

G. R. Cook 

627. Asymmetric [4 � 3] cycloaddition applied 

to the synthesis of barekoxide and 

barekol. Y. Lian, L. Miller, R. Sarpong, 

H. M. Davies 

628. Highly enantioselective rhodium-catalyzed 

cyclopropenation of terminal 

alkynes with styryldiazoacetates. 

J. F. Briones 

629. Chiral promoters to control the stereochemical 

outcome of glycosylation reactions. 

D. Liu, S. Sarrafpour, W. Guo, 

B. M. Goulart, C. S. Bennett 

630. Toward the asymmetric total synthesis 

of antascomicin B via an asymmetric 

transfer hydrogenation, an Ireland- 

Claisen (ICR), and an allylic diazene (ADR) 

rearrangement sequence. D. R. Clay, 

M. C. McIntosh 

631. Studies toward the enantioselective 

syntheses of 3-hydroxy-2-oxindole containing 

natural products. A. J. Ostlund, 

B. Narayanaganesh, G. R. Cook 

632. Ring opening of aziridinium ions: Synthesis 

of enantiomerically pure amines 

and substituted trans-allyl amines. 

X. Sun, Y. Chen, H. Song, I. Sin, 

M. Dadwal, H. Chong 

633. Synthesis and enantioselective and regioselective 

ring opening of aziridinium 

ions. Y. Chen, H. Song, X. Sun, 

W. Sawyer, I. Sin, M. Dadwal, H. Chong 

634. Rate accelerated Wittig reactions using 

water as a medium employing stabilized 

ylides and aldehydes. M. B. Bergdahl, 

A. El-Batta, C. Jiang, A. L. Cooksy 

635. Double stereo-differentiation of chiral 

imines in catalytic asymmetric aziridination 

reaction. M. Mukherjee, 

V. R. Pulgam, W. D. Wulff 






consent from ACS.

636. Unique multicomponent catalytic asymmetric 

aziridination reaction via substrate 

induced catalyst formation. A. K. Gupta, 

M. Mukherjee, G. Hu, W. D. Wulff 

637. Iridium-catalyzed asymmetric hydrogenation 

of N-aryl imines and N-H imines. 

W. Li, G. Hou, X. Zhang 

638. Catalytic enantio- and regioselective 

additions of silyl ketene acetals into 

diketones. T. Luanphaisarnnont, 

D. A. Evans 

639. Demonstration of the octant rule using a 

simple CA3D molecular modeling. 

Y. Kang 

640. Probes for narcotic receptor mediated 

phenomena: Synthesis of C8-substituted 

5-(3-hydroxyphenyl)-N-phenylethylmorphans. 

Y. Peng, A. E. Jacobson, 

K. C. Rice 

641. Biodegradable hybrid polymers for regenerative 

medicine. M. Beyer, 

R. Houbertz, T. Stichel, G. Sextl 

642. Activity-based chemical profiling of Mycobacterium 

tuberculosis H37Rv, 

CDC1551, and HN878. L. M. Smith, 

R. D. Smith, A. T. Wright, C. D. Nicora 

643. Synthesis and biochemistry of novel fluorogenic 

substrates for �-lactamase detection. 

A. Rukavishnikov, H. Kang, 

K. R. Gee, S. Corry 

644. Substituted biaryls as alpha-helix mimetics. 

A. B. Williams, R. N. Hanson 

645. New fluorescent dibenzocyclooctyne 

analogs for live-cell studies using copper 

free click chemistry. A. Chen, H. Engel, 

Y. Hu, J. Liu, A. Rukavishnikov, 

T. Schwenger, Y. Wu, R. Aggler, 

B. Agnew, K. Gee, H. Kang 

646. Dual bioresponsive polymeric nanoparticles. 

J. Sankaranarayanan, 

E. Mahmoud, G. Kim, A. Almutairi 

647. Synthesis and electrophysiological 

characterization of a tetherable ligand 

specific for GABA A receptors. 

M. Feliciano,J.J.Chambers 

648. Fluorescein derivatives functionalized 

silsesquioxnae/ bridged silsesquioxane 

nanoparticles: Synthesis, characterization, 

and particle morphology. 

C. J. Simouth, J. Binion, 

H. P. Rathnayake 

649. Synthesis of deuterated enantiomer of 

CP55,940, d 6-(-)-CP55,940. K. Cheng, 

T. Kimura, K. Gawrisch, A. E. Jacobson, 

K. C. Rice 

650. Fluorescent detection and proteomic 

profiling of acetylated proteins using 

bioorthogonal chemical reporters. 

Y. Yang, J. M. Ascano, H. C. Hang 

651. Optimization of the preparation of 4- 

(methoxycarbonyl)bicyclo[2.2.1]heptane- 

1-carboxylic acid. X. Qian, A. Ramirez, 

M. Y. Wong, K. Yamamoto, F. Rita, 

Z. Guo, A. Goswami, B. Patel, 

R. O. Cann, R. P. Deshpande 

652. Novel bitriazoyl nucleosides with antiviral 

and anticancer activity. Y. Xu,F.Qu 

653. Synthesis of photocleavable peptide 

conjugates using click chemistry. 

F. Rossi, J. A. Baccile, C. L. Barnes, 

D. L. Drew, M. J. Houghton 

654. Synthesis of phosphatidic acid mimetics 

for competitive binding with the receptor 

AFAP-110 in a pathway relevant to 

breast and ovarian cancer. 

M. Cuccarese, G. A. O’Doherty, 

R. Vemula, D. Flynn 

655. Synthesis of benzaldehydes possessing 

aminoethyl substitutents and their use in 

the production of curcumins and 1,5diarylpent-1,4-dien-3-ones. 

S. Helmy, 

R. Tincher, P. D. Hampton 

656. Diversity-oriented synthesis utilizing a 

two-directional macrocyclisation approach. 

K. M. O’Connell, H. T. Horsley, 

D. R. Spring 

657. SAR and protein binding studies of 

Marpin, a recently discovered synthetic 

Chk1-phosphorylation inhibitor. 

B. Manteau, K. Brummond, P. Nghiem, 

M. Kawasumi 

658. Aqueous phosphine-mediated ligations 

of nitroxyl (HNO): Kinetic analysis and detection 

of enzyme-generated HNO. 

J. A. Reisz, E. Bechtold, M. W. Wright, 

S. King 

659. Fundamental amidine diazeniumdiolate 

chemistry: Applications in the bio-medical 

realm. D. Biswas, F. DeRosa, 

M. Kibbe, M. L. Citro, L. K. Keefer, 

J. A. Hrabie 

660. Nucleophilic catalysis expands repertoire 

for hydrazine-based bioorthogonal 

labeling of �-tubulin C-terminus. 

A. R. Blanden, O. Dilek, K. Mukherjee, 

M. Loew, R. Kuperman, S. L. Bane 

661. Novel approach for detection of lacZ 

using 1 H MRI agents. J. Yu, 

J. Magnusson 

662. Reactivity-dependent PCR: One-step 

amplification and in vitro selection. 

D. J. Gorin, A. Kamlet, L. McGregor, 

D. R. Liu 

663. Novel method to covalently-label native 

neurotransmitter receptors. 

A. M. Hussey, R. E. Combs-Bachmann, 

D. Vytla, I. Hafez, J. J. Chambers 

664. One-pot procedures for the preparation 

of fully protected carbohydrates. 

L. Chen, N. Kaila, P. Thakker 

665. Fused bicyclic ring systems with nitrogen 

bridgehead: Synthesis and biological 

evaluation. A. Pepe,Y.S.Kim, 

J. B. Trepel, S. V. Malhotra 

666. Sulfamide based inhibitors of tyrosyl- 

DNA phosphodiesterase 1 (Tdp1). J. Jun, 

T. S. Dexheimer, I. E. Weidlich, 

M. C. Nicklaus, Y. Pommier, 

S. V. Malhotra 

667. Employment of DNA-programmed 

chemistry for rapid reaction of macrocyclic 

lead compounds. D. Yan 

668. Photochromic effectors for native 

GABA-ergic signaling. D. Vytla, 

K. A. Medeiros, J. J. Chambers 

669. Studies towards the synthesis of the Cglycoside 

analog of antitumor antibiotic 

Bleomycin A 5. I. Sharma, D. Crich 

670. Solanesol-derived scaffold for multimerization 

of bioactive peptides. 

R. Alleti, V. Rao, L. Xu, R. J. Gillies, 

E. A. Mash 

671. Redoxchemistry of 8-oxopurine nucleosides 

and their potential role in mitigating 

photochemical damage in DNA. 

K. V. Nguyen, J. G. Muller, C. J. Burrows 

672. Development of a practical and convergent 

process for the preparation of sulopenem 

antibacterial CP-70,429. 

D. Nadkarni, J. Nelson, S. Brenek, 

T. Braish, S. Caron, M. Drexler, M. Ewing, 

R. Handfield, N. Ide, H. Perfect, 

J. Phillips, J. Teixeira, C. Wager, 

R. Weekly 

673. Reaction of pyrrolizidine alkaloid reactive 

metabolits with deoxyguanosine. 

Y. Zhao,P.P.Fu 

674. Solvent effects on the rate of photodimerization 

of orotic acid. J. Hahn 

675. Innovative technologies for natural 

products discovery. A. Y. Odendaal, 

D. J. Trader, E. E. Carlson 

676. Modulation of the phenyl substituents 

on the 1,1-diphenyl-hexahydro-oxazolo[3,4-a]pyrazin-3-one 

scaffold: Investigating 

the structural features necessary 

for antagonist activity toward the neuropeptide 

S receptor. J. A. Brinck, 

S. A. Habay, R. K. Reinscheid 

677. Kinetic and product analysis of the reactions 

of acyloxy nitroso compounds, a 

new class of HNO donors, with thiols. 

M. E. Shoman,J.DuMond,S.B.King 

678. Adventures in diversity-oriented synthesis. 

W. R. Galloway, D. R. Spring 

679. Cyclooctyne-modified oligonucleotide 

primers for post-PCR, strain-promoted 

“click” chemistry on DNA. I. S. Marks, 

K. J. Landmark, J. Kang, T. Taton 

680. Synthesis of the capture ligand, ethyl 

(4-nitrophenyl)[11-[(1,3-diazole)carbamate]undecyl]phosphonate. 

D. Stallings, 

B. Coleman, S. Contigiani, M. Moser, 

J. Boyd, J. Gardner 

681. Identification of pyrimidine adducts 

formed from the carcinogen N-nitrosomorpholine. 

N. H. Shah, J. C. Fishbein 

682. Effects of pyridine on the silylation of 

17�-ethinylestradiol and other steroidal 

hormones. Y. Zuo,Y.Lin 

683. Reactions of acyloxy nitroso compounds 

with thiols and aldehyde dehydrogenase. 

J. F. DuMond,S.King 

684. Two photon degradable hydrogels. 

G. Kim, J. Sankaranarayanan, 

E. Mahmoud, C. McFearin 

685. Oxidation of vitamin K: A free radical 

mechanism. D. E. Lewis 

686. Largazole analogs with modified zinc 

interacting moiety. P. R. Bhansali, 

L. Tillekeratne 

687. G-Quadruplex formation from lipophilic 

guanine derivatives. J. E. McCallum, 

J. McSweeney, S. Amare 

688. Ester and aza analogs of open-chain 

epothilones. S. R. Fedorka, 

L. Tillekeratne 

689. Total synthesis and biological activity of 

18(R)-HEPE. V. Krishnamurthy, 

E. L. Chaikof 

690. Library synthesis utilizing regioselective 

urea-based condensations with complex 

1,2-diketones toward the synthesis of cycloheptanes. 

B. Leng, J. Godell, 

A. Beeler, J. Porco 

691. Evaluation of diarylureas for activity 

against Plasmodium falciparum. 

Y. Zhang, M. Anderson, J. L. Weisman, 

M. Lu, C. J. Choy, V. A. Boyd, J. Price, 

M. Sigal, J. Clark, M. Connelly, F. Zhu, 

W. A. Guiguemde, A. P. Liou, T. R. Webb, 

J. L. DeRisi, R. K. Guy 

692. New nine-membered lactam libraries 

via ring-closing metathesis. L. Maina, 

J. A. DeCapo, N. Brown, K. R. Buszek 

693. Mechanistic degradation of high density 

polyethylene potable water materials. 

S. Mitroka, A. Whelton, T. Smiley, 

A. Dietrich, J. Tanko 

694. FRET based pattern recognition of isogenic 

cells differing in cell surface glycans. 

O. R. Miranda, A. Bajaj, S. G. Elci, 

S. Rana, K. Saha, R. L. Phillips, 

J. J. Bryant, I. Kim, D. Jerry, U. H. Bunz, 

V. M. Rotello 

695. Systematic control of the lactam/amide 

equilibrium in rhodamine amide derivatives. 

C. J. Stephenson,K.D.Shimizu, 

K. Yehl 

696. Highly-reversible electrochromic polycarbenes 

for photovoltaic applications. 

A. B. Powell,A.H.Cowley 

697. Synthesis and application of novel porphyrins 

for use in solar cells. M. Jurow 

698. New methods for phthalocyanine/naphthalocyanine 

synthesis. C. Lu, X. Chen, 

D. V. McGrath 

699. Dendronized thiopyrylium cyanines for 

photonic applications. A. Nantalaksakul, 

J. M. Hales, A. Scarpaci, J. D. Matichak, 

S. Barlow, J. W. Perry, S. R. Marder 

700. Thiophene based copolymer for organic 

solar cells. R. Anandakathir, 

S. Satapathi, J. Kumar 

701. Light-triggered release from and degradation 

of polymeric nanoparticles. 

N. Fomina, M. Sermsakdi, O. Edigin, 

A. Almutairi 

702. Cycloparaphenylenes with a twist. 

L. M. Gaworski, R. Jasti 

703. Computational design of multifunctional 

emitters. A. B. Padmaperuma, 

P. K. Koech 

704. Lanthanide metal-organic frameworks: 

Catalytic activity and structural changes 

during activation and catalysis. 

M. Gustafsson, A. Bartoszewicz, 

B. Martín-Matute, J. Sun, J. Grins, 

T. Zhao, Z. Li, G. Zhu, X. Zou 

705. Synthesis and characterization of polylactide-polybutadiene-polylactide 

triblock 

copolymers. N. Kim,J.Lee, 

C. Choochottiros, I. Chin 

706. Free radical copolymerization of 2-hydroxyethyl 

methacrylate terminated 

poly(L-lactide) with butyl acrylate. J. Lee, 

N. Kim, I. Chin 

707. Cyclacene and the organic synthesis of 

zigzag carbon nanotubes. P. J. Evans, 

R. Jasti 

708. Switching mechanism of a pH activated, 

hydrazone-based, configurational 

switch: Rotation vs. lateral inversion. 

S. M. Landge, I. Aprahamian 

709. Rigidly dendronized ions. D. Türp, 

K. Müllen 

710. Studies towards the rational synthesis 

of carbon nanotube junctions. E. Hirst, 

R. Jasti 

711. Synthesis and properties of new type of 

liquid crystal containing polycation tails in 

place of n-alkyl tails. M. Reynolds, 

A. LaFrate, C. Gabriel, D. Gin 

712. Synthesis, structure and performance 

of liquid-crystalline proton conductors. 

D. Basak, S. K. Surampudi, 

S. Christensen, C. Versek, D. Toscano, 

J. Harvey, S. M. Auerbach, 

M. T. Tuominen, R. Hayward, 

D. Venkataraman 

713. Approach for the synthesis of selectively 

deuterated methyl acrylate. 

J. Yang, P. V. Bonnesen, M. S. Kilbey, 

K. Hong 

714. Design of porous sp 2 -hybridized carbon 

nanomaterials. H. Xiao, R. Jasti 

715. Optical properties of cyclic dimers of a 

pentamethine dye: Moving beyond exciton 

theory. C. A. Liberko, J. Valenstein, 

J. Shanata 

716. Donor-acceptor cross conjugated macrocycles. 

W. C. Leu, C. Hartley 

717. Zinc(II)-controlled configurational rotary 

switch based on a hydrazone backbone. 

X. Su, I. Aprahamian 

718. Benzothiadiazole-based donor-acceptor 

alternating polymer sensitizers for 

dye-sensitized solar cells. Z. Fang, 

A. Eshbough, K. S. Schanze 

719. Liquid crystalline tetrabenzo[18]cyclynes. 

A. N. Scioneaux, A. Wilson, S. Hartley 

720. Stilbene tethered porphyrin jaw: Synthesis, 

characterization, and fullerene 

binding studies. M. Fathalla, 

J. Jayawickramarajah 

721. Bottom-up synthesis of oligo(orthophenylenes). 

J. He, J. L. Crase, C. Hartley 

722. Syntheses of aryleneethynylene dendrimers 

with D 3horC 2v symmetry with 

electrooptical applications. G. K. Joshi, 

K. N. Fuhr, W. F. Schnatter, 

N. Matsunaga, J. Chao, A. Khan 

723. New non-planar push-pull chromophores: 


M. Chiu, M. Kivala, S. Kato, 

F. Diederich 

724. Conducting azepine polymers. C. Song, 

D. B. Walker,T.M.Swager 

725. Controlling contact electrification with 

photoreactive polymers. S. W. Thomas, 

S. Friedle 

726. Functional polymeric blends for sensing 

applications. J. M. Lobez,T.M.Swager 

727. Fluorescence resonance energy transfer 

as a new tool for the identification of 

mechanically-induced chemical reactions. 

M. J. Kryger,S.A.Odom, 

H. Enozawa, J. S. Moore 

728. Dicyanofulvenes as effective electronaccepting 

moieties: Toward the synthesis 

of n-type conducting polymers. 

T. L. Andrew, T. M. Swager, J. R. Cox 

729. Synthesis and fabrication of nanoporous 

thin-films based on the polymerization 

of a gemini ammonium amphiphile 

for molecular-size filtration applications. 

B. R. Wiesenauer, E. S. Hatakeyama, 

M. Zhou, R. D. Noble, B. J. Elliott, 

D. L. Gin 

730. Preparation of semiconducting nanoparticles. 

Y. Li, Y. Xu, G. P. Miller 

731. Synthesis of air-stable, moisture-resistant, 

and tunable perfluoroalkylated 

arenes for optoelectronics. H. Sun, 

A. Putta, J. Kloster 

732. Effect of side chains on the electron 

transfer rates in Donor-Bridge-Acceptor 

dyads. A. Bheemaraju,T.L.Benanti, 

S. K. Surampudi, M. Pourmand, 

M. Achermann, D. Venkataraman 

733. Click-BODIPY dyes as fluorescent 

probes for amyloidogenic biomolecules. 

N. W. Smith, B. B. Polenz, E. L. Deal, 

C. B. Boyd, S. R. Vempati, S. V. Dzyuba 





ORGN 

TECH–93


734. Efficient synthesis of protected aminoxyacyl 

sterols and terpenes. 

B. Draghici, B. El-Dien M. El-Gendy 

735. Encapsulation and release of Histagged 

proteins from collagen microflorettes. 

D. Ernenwein, M. M. Pires, 

J. Chmielewski 

736. Chemical tools for investigating cell migration: 

Semisynthesis of photoactivated 

myosin regulatory light chain. B. Goguen, 

B. Imperiali 

737. Total synthesis of tubulysins. T. Shibue, 

M. Yamazaki, H. Ebisu, T. Hirai, 

I. Okamoto, N. Morita, O. Tamura 

738. Design and synthesis of novel peptidomimetic-AApeptide. 

Y. Hu, J. Cai 

739. Chirality control in peptide-metal complexes. 

M. Vázquez,G.Rama, 

J. M. Blanco, H. Ishida, 

M. Vázquez-López 

740. New fullerene array based on peptide 

nanotubes. C. Reiriz, R. J. Brea, 

J. R. Granja 

741. Controlled protein trans-splicing by using 

photo-labile protecting group. 

Y. Kwon 

742. Stitching �-helical peptides by tandem 

ring-closing metathesis. Y. Kim, 

P. S. Kutchukian, C. M. Crenshaw, 

S. S. Stanton, A. Chang, G. L. Verdine 

743. Tag-assisted solution-phase peptide 

synthesis featuring multistep process. 

M. Sugai, T. Gegen, S. Kim, K. Chiba 

744. Origin of conformational organization of 

�-peptide nucleic acids (PNAs). 

M. J. Crawford, R. Gil, D. H. Ly 

745. Synthesis and structure-activity relationship 

(SAR) of tetrapeptides with Phe 

analogs reversible inhibitors of thrombin. 

C. C. Clement, M. Philipp 

746. Thioester-based strategy for synthesis 

of linear and cyclic peptide libraries. 

S. Santra, M. E. Bucks, S. N. Savinov 

747. Bioactive synthetic nanostructured extracellular 

matrices for biomedical applications. 

W. Suh, G. D. Stucky, M. Tirrell 


749. Evidence for the utilization of formate as 

a substrate by carbamoyl phosphate synthetase. 

L. Lund, H. J. Williams, 

F. M. Raushel 

750. Chemical ligations of S-acyl isopeptides. 

S. R. Tala, N. E. Abo-Dya, 

A. R. Katritzky 

751. Modifying proteins with kosmotropes 

for enhanced activities and targeted drug 

delivery. D. Prashar,D.Cui,Y.Shi, 

D. Bandyopadhyay, J. Dabrowiak, 

Y. Y. Luk 

752. Polyvinylimidazoles/pyridoxamines with 

hydrophobic chains as enzymes/co-enzymes 

mimics for the catalysis of the 

transamination reaction in water. 

R. Skouta, S. Wei, R. Breslow 

753. On the design and synthesis of activatable 

dsDNA-binding peptides. 

A. Jiménez, B. Martínez, O. Vázquez, 

M. E. Vázquez, J. L. Mascareñas 

754. Proteins for imaging applications. 

P. D. Garimella, M. B. Francis 

755. i,i�3 Stapling: Highly stereospecific 

ring-closing metathesis on �-helices. 

Y. Kim, S. Shim, M. J. Kolar, 

P. S. Kutchukian, G. L. Verdine 

756. Targeting proteins with iron-based oxidants. 

J. Prakash, J. J. Kodanko 

757. Strand invasion of extended, mixed-sequence 

B-DNA by �PNAs (�-peptide nucleic 

acids). G. He, S. Rapireddy, 

R. Bahal, B. Sahu, D. H. Ly 

758. Design and synthesis of highly functionalized 

and complex Bis-Peptide macromolecules. 

M. F. Parker, 

C. E. Schafmeister 

759. Catalytic asymmetric intramolecular hydrosilylation 

of 2-alkyl allyl silyl ethers. 

S. Singh, S. M. Sieburth 

760. Unprecedented cross coupling reaction 

of allyltrifluroborate and benzoyl halides. 

K. Liu, M. Al-Masum 

94–TECH 


761. Palladium-catalyzed microwave irradiated 

direct coupling of potassium arylvinyltrifluoroborates 

and benzoyl chlorides. 

E. Ng, M. Wai, M. Al-Masum 

762. Chiral synthesis of novel anticancer 

�-lactams. S. Mukherje, I. Banik, 

S. Samajdar, F. F. Becker, B. K. Banik 

763. Diasteroselectivity of �-lactam formation 

with polyaromatic imines: Synthesis 

of novel anticancer agents. 

D. Bandyopadhyay, L. C. Turrubiartes, 

F. F. Becker, B. K. Banik 

764. Synthetic aspects and photochemical 

studies of deoxy-adenosine analogs. 

B. Saha, M. S. Platz 

765. Synthesis and NMR studies of imidazole-2-carboxamides 

as DNA bases 

reader. F. Liang, S. Lindsay, P. Zhang 

766. Synthesis and characterization of functionalized 

graphite nanofibers. 

T. Pellenbarg, J. A. Hull, A. Tuladhar, 

H. Yoo, E. Assenmacher, R. Giuliano 

767. Hydroarylation of 2-azabicyclo[2.2.1] 

hept-5-en-3-one followed by ring opening 

as a facile and stereodefined synthesis 

of trisubstituted cyclopentanes. 

J. Polivkova, D. W. Piotrowski 

768. New methodology for the stereoselective 

synthesis of unnatural a-amino acids. 

L. J. Drummond, A. Sutherland 

769. Solution synthesis of peptides using 

solid phase reagents and microwave 

heating. R. Lundin, P. Ioannidis 

770. Total synthesis of erythronolides. 

K. Liu, L. J. Williams, H. Kim 

771. Cyclodextrin/dextran based drug carriers 

for a controlled release of hydrophobic 

drugs in zebrafish embryos. K. Peng, 

I. Tomatsu, A. Kros 


Section A 


Ballroom East 

Technical Achievements in Organic 

Chemistry Award Symposium 

J. Cohen, C. Welch, Organizers 

P. Mahaney, Presiding 


8:05 772. Identification and optimization of 

1,5-diarylpyrazoles as CCK-1 receptor 

antagonists. K. McClure, 

J. G. Breitenbucher, L. Gomez, C. Sehon, 

M. Morton, T. D. Barrett, J. M. Friedman, 

C. E. Prendergast, V. Moreno, J. Pyati, 

K. Figueroa, L. Li, N. P. Shankley 

8:30 773. Overcoming synthetic challenges 

to prepare novel gamma-secretase inhibitors. 

C. M. Semko 

8:55 774. Discovery of PF-610355: An inhaled 

once-daily Beta-2 adrenoceptor 

agonist for asthma and COPD. 

P. A. Glossop 

9:20 775. Development of processes supporting 

the manufacture of 5-amino-3bromo-4-pyridinyl 

substituted isothiazoles. 

P. C. Heath, D. S. Coffey, 

M. K. Hawk, J. F. Mick 

9:45 776. Use of organic rheology control 

agents in water-borne and solvent-borne 

paint systems and ring opening polymerization 

(ROP) of macrocyclics. 

M. W. Cobb 

10:10 777. Discovery of 5-(6-[(3R)-1- 

Azabicyclo[2.2.2]oct-3-yloxy]pyridazin-3yl)-1H-indole 

as a novel a7 neuronal nicotinic 

receptor (NNR) agonist. T. Li 

10:35 778. Chemical development of an 

NHE3 inhibitor for the treatment of sleep 

apnea. A. Hillegass, J. J. Shay, N. Choy, 

T. A. Ayers, H. Gill 

11:00 779. Identification of novel HCV NS3 

protease inhibitors. J. A. O’Meara 

Section C 


Room 206A 



C. Goldsmith, Presiding 

8:00 780. Mechanisms of palladium-catalyzed 

processes for the formation of fluorine-containing 

aromatic compounds. 

T. Kinzel,S.L.Buchwald 

8:20 781. Stereochemical and skeletal diversity 

by coupling Petasis reaction to intramolecular 

1,3-dipolar cycloaddition reactions. 

G. Muncipinto, T. Kaya, 

P. A. Clemons, N. Kumagai, 

S. L. Schreiber 

8:40 782. Photoredox catalysis: Enabling 

chemical synthesis with visible light. 

C. R. Stephenson 

9:00 783. Bidirectional synthesis of ketones 

from monomeric formaldehyde by catalytic 

C-H insertion with diazoalkanes. 

A. J. Wommack,J.S.Kingsbury 

9:20 784. Fluoride-promoted cross-coupling 

of chloro(mono-, di-, or triphenyl)germanes 

with aryl halides in “moist” toluene. 

J. Pitteloud, Z. Zhang, L. Cabrera, 

Y. Liang, M. Toribio, S. F. Wnuk 

9:40 785. Gold (I) catalysed reactions wth 

cyclopropenes. M. S. Hadfield 

10:00 786. New reactivity of esters: An intramolecular 

oxy–acylation reaction of 

alkenes initiated by rhodium catalyzed 

acyl C–O bond activation. G. T. Hoang, 

C. J. Douglas 

10:20 787. Preparation of peptide isosteres 

through a one-pot tandem homologationcyclopropanation-lactonization 

of betaketo 

imides. I. S. Taschner, C. K. Zercher 

10:40 788. Selective dioxygenation of 

alkenes using Pd catalysis. 

S. R. Neufeldt,M.S.Sanford 

11:00 789. Synthesis of the tetracyclic core 

of mulberrofuran G via a chromene 

dimerization approach. Y. Luan, 

S. E. Schaus 

11:20 790. Macrocyclic ring closing metathesis 

of vinylsiloxanes and its application. 

Y. Wang, A. S. Hansen, E. Raiber, 

D. W. Young, S. L. Schreiber 

11:40 791. Kinetic resolution of secondary 

alcohols through enantioselective silylation. 

S. L. Wiskur 

12:00 792. Direct carbon–carbon bond formation 

via soft enolization of thioesters. 

D. M. Coltart 

Section D 


Room 203 



M. G. Kociolek, Presiding 

8:00 793. New reactivities from bistriazole 

metal catalysts. X. Shi, W. Yan 

8:20 794. 1, 2, 3 Triazole-Au complex catalyzed 

alkynes activation. X. Shi, X. YE, 

D. Wang 

8:40 795. Development of new transition 

metal catalyst from bis-1,2,3-triazole ligands. 

Q. Wang 

9:00 796. Enantioselective [4 � 2] cycloadditions 

of iminoacetonitriles: Application 

to the total synthesis of quinolizidine 

207I. S. D. Fontaine,M.K.Virdi, 


9:20 797. Anti-Markovnikov additions to vinylpyrimidines, 

quinoxalines, quinazolines, 

and other heterocycles. 

D. A. Klumpp, M. A. Sheets, Y. Zhang 

9:40 798. Radical-mediated indole functionalization 

and application in natural product 

synthesis. L. Furst, B. S. Matsuura, 


10:00 799. Synthesis, characterization, 

mechanism of decomposition, and antiproliferative 

activity of a new class of 

PEGylated benzopolysulfanes with enhanced 

water solubility. A. Mahendran, 

A. Vuong, D. Aebisher, Y. Gong, 

R. Bittman, G. Arthur, A. Kawamura, 

A. Greer 

10:20 800. Microwave accelerated fluorination 

and fluoroalkylation methods. 

M. S. Placzek, P. LaBeaume, 

G. B. Jones 

10:40 801. Reaction of nitrile-oxide precursors 

with heterocyclic enamines. 

C. Altug, Y. Durust, M. C. Elliott, 

B. M. Kariuki 

11:00 802. New approach to �-carbolines 

via inverse electron demand Diels-Alder 

reaction. Z. Ma, F. Ni, G. Woo, S. Lo, 

P. Roveto, S. Schaus, J. K. Snyder 

11:20 803. Calcium catalyzed intramolecular 

hydroamination of olefins. 

K. Kunchithapatham, J. P. Stambuli 

11:40 804. Preparation of enantiopure 5,6dihydro-1,10-phenanthroline 

derivatives 

with B-ring functionalization. 

E. Schoffers, L. Kohler,S.Tran, 

R. J. Pradko, E. Driscoll, M. Zeller, 

M. W. Perkovic, C. Schmiesing, E. Sinn 

12:00 805. Preparation of a psico-oxetanocin 

and investigation of the role of neighboring 

group participation. Y. Liang, 

N. Hnatiuk, J. M. Rowley, B. Whiting, 

G. W. Coates, P. R. Rablen, A. R. Howell 

Section E 


Room 204A 



M. Case, Presiding 

8:00 806. Developing a universal reader for 

DNA sequencing by transbase tunneling. 

P. Zhang, F. Liang, S. Chang, S. Huang, 

J. He, X. Chen, S. Li, O. Sankey, 

S. Lindsay 

8:20 807. Boronic acid functionalized peptidyl 

synthetic lectins: Combinatorial library 

design and selective recognition of glycoproteins. 

K. L. Bicker, J. Sun, M. Harrell, 

J. J. Lavigne, P. R. Thompson 

8:40 808. Structure activity relationships between 

anionic amphiphilic dendrimer assemblies 

and antimicrobial properties. 

E. Welsch 

9:00 809. Phase behavior of repulsive polymer-tethered 

colloids. B. Bozorgui, 

M. Sen, W. L. Miller, J. P. Pamies, 

A. Cacciuto 

9:20 810. Colorimetric ion sensing by molecular 

tweezers. S. Saha 

9:40 811. Metal helicates supported by 

chiral tetradentate ligands: Solution dynamics 

and structural interconversion. 

J. Jung, J. Jo, M. Laskar, M. Pink, D. Lee 

10:00 812. Detection of molecular interactions 

with modified ferrocene self-assembled 

monolayers. M. Ho, P. Li, P. Estrela, 

S. Goodchild, P. Migliorato 

10:20 813. Arranging virus capsids in 1D 

nanoscale arrays using DNA origami. 

N. Stephanopoulos, M. Liu, G. J. Tong, 

Z. Li, Y. Ke, H. Yan, M. B. Francis 

10:40 814. Squaraine catenanes: A new 

family of luminescent interlocked molecules. 

J. Lee,B.D.Smith 

11:00 815. Biomolecular assembly of viral 

arrays. J. M. Rego,H.Yi 






consent from ACS.

11:20 816. Calcium dependent self-assembly 

of liposomes based on a disaccharide 

from the red beard marine sponge. 

D. Yüksel, B. Lorenz, 

L. Álvarez de Cienfuegos, V. Kalsani, 

A. Janshoff, K. Kumar 

11:40 817. Identifying structure-property relationships 

using pyridine-based molecular 

gels. J. Chen,A.J.McNeil 

12:00 818. Noncovalent polymer assembly 

in water and their applications in materials 

fabrication. Y. Y. Luk, L. Wu, J. Lal, 

K. A. Simon, E. A. Burton 

Section F 


Room 204B 



J. Miranda, Presiding 

8:00 819. Preparation of novel 4-aryl- and 

4-alkyl-2-silyl-1,3-dienes and their use in 

tandem Diels–Alder/Hiyama cross-coupling 

reactions. C. S. Junker, 

M. E. Welker 

8:20 820. Investigating the reactivity of benzylic 

nitriles in palladium-catalyzed cross 

coupling reactions. M. C. Brannock, 

C. B. Gorman 

8:40 821. Palladium-catalyzed functionalization 

of olefins under oxidative conditions. 

N. Selander,K.J.Szabó 

9:00 822. Soluble polyethylene oligomers as 

supports for NHC ligands. C. Hobbs, 

D. E. Bergbreiter, H. S. Bazzi 

9:20 823. [2�2] vs. [4�2]: Mechanistic study 

on gold-catalyzed oxygen transfer of 

alkynyldiketones and alkynylketoesters. 

L. Liu, D. Malhotra, G. B. Hammond 

9:40 824. Palladium-catalyzed trifluoromethylation 

of aryl chlorides and vinyl 

sulfonates. E. Cho, T. Senecal, T. Kinzel, 

Y. Zhang, S. L. Buchwald 

10:00 825. Synthesis of microstegiol, a rearranged 

abietane. R. A. Taj, J. R. Green 

10:20 826. Regio- and stereoselective 

umpolung piperidine synthesis incorporating 

�-basic tungsten. D. P. Harrison, 

V. E. Zottig, S. Wang, M. Sabat, 

W. H. Myers, W. D. Harman 

10:40 827. Highly efficient palladium/copper 

cocatalytic system for direct arylation of 

heteroarenes: The unexpected effect of 

Cu(Xantphos)I. J. Huang,J.Chan, 

Y. Chen, C. J. Borths, K. D. Baucom, 

R. D. Larsen, M. M. Faul 

11:00 828. Allylic oxidations of disubstituted 

olefins. C. T. Check, W. H. Henderson, 

M. J. Vanden Eynden, J. P. Stambuli 

11:20 829. Reactivity and properites of dihapto-coordinated 

phenols. V. E. Zottig 

11:40 830. Oxidant-controlled regioselectivity 

in the oxidative arylation of N-acetylindoles 

and N-alkylindoles. S. Potavathri, 

B. Deboef 

Section G 


Room 207 



R. Smith, Presiding 

8:00 831. Luminescent diphosphine coordination 

polymers with fluorene and phenylene 

ethynylene chromophores. 

T. Maltais,R.C.Smith 

8:20 832. Soft and deformable gold nanoparticles 

with unique conducting properties. 

X. Yu, K. Du, C. Versek, D. Patra, 

O. R. Miranda, A. D. Dinsmore, 

M. T. Tuominen, V. M. Rotello 

8:40 833. Walking transition metal complexes. 

D. M. D’Souza, R. Carrillo, 

B. A. Blight, J. E. Beves, M. Papmeyer, 

D. Howgego, D. A. Leigh 

9:00 834. Improving the yield of working 

tunnel junctions (Ag TS /SAM//oxide/ 

EGaIn) through near-surface effects on 

the SAM. M. T. Mwangi,W.Reus, 

C. Kim, M. D. Schulz, G. M. Whitesides 

9:20 835. Intracellular delivery of macromolecular 

cargo. S. Tarakkad Krishnaji, 

V. Kalsani, K. Kumar 

9:40 836. Chemical synthesis on SU-8. 

K. Qvortrup, K. Taveras, T. E. Nielsen, 

O. Thastrup, H. Morgan, S. Birtwell, 

G. R. Broder, P. Roach 

10:00 837. Facile syntheses of low band 

�-conjugated copolymers based on 

fused terthiophene and benzothiadiazole. 

S. Ku, N. Treat, C. J. Hawker 

10:20 838. Combining molecular switches 

and quantum dots to create fluorescent 

sensors. E. R. Kay, A. B. Greytak, 

D. G. Nocera, M. G. Bawendi 

10:40 839. Synthesis of carbon nanotubes 

of discrete chirality. X. Tian, R. Jasti 

11:00 840. Optimization of lumo levels in 

low bandgap organic photovoltaic donor 

materials through terpolymerization. 

R. C. Coffin, C. M. MacNeill, R. E. Noftle, 

D. L. Carroll 

11:20 841. Synthesis and photochromism of 

a unique photoresponive spiro-oxazine 

dimer. D. L. Watkins, T. Fujiwara 

11:40 842. Helical folding of C 3-symmetric 

molecules: Substituent effects on chiral 

conformation and exciton-coupled circular 

dichroism. E. A. Opsitnick, X. Jiang, 

D. Lee 

12:00 843. Signal-responsive plastics. 

S. T. Phillips 

Section B 


Room 205A/B 

Process Chemistry: Role of Organic 

Chemistry in Early Clinical Drug 

Development V Cosponsored by MEDI ‡ 


J. Pesti, Organizer, Presiding 


8:35 844. Timely chemical process research 

is a critical part for efficient drug development. 

C. Senanayake 

9:15 845. Regioselective synthesis of 1,3,5trisubsituted 

pyrazoles via 1,3-dipolar cycloaddition 

reactions. L. M. Oh, 

G. P. Spoors, H. Wang, S. Shilcrat, 

R. Hermann, J. Sisko 

9:55 846. Process development of palladium-catalyzed 

decarboxylative cross-coupling 

of arene carboxylic acids and aryl 

bromides. D. Mitchell 

10:35 847. Development of a scalable synthesis 

of sulopenem: A �-lactam antibacterial 

candidate. J. D. Nelson 

11:15 848. Stereoselective synthesis of an 

all-cis 1,2,3-trisubstituted cyclopropane 

carboxylic acid. S. Kiau, 

F. Gonzales-Bobes, M. D. Fenster, 

S. Kolotuchin, L. Kolla 



Section B 


Room 205A/B 

Nanoscaled Materials for Drug Delivery and 

Diagnostic Applications 

J. Yang, N. Gianneschi, H. Havel, 


1:00 849. Nanoskiving as a route to small 

structures. G. M. Whitesides, D. Lipomi, 

Q. Xu, R. Rioux, M. Dickey 

1:30 850. nab Technology: Tumor targeting 

through natural albumin transport via 

gp60, caveolin-1, and SPARC. N. Desai 

1:55 851. Nanoscale ratiometric dosing formulations 

for anticancer combination 

chemotherapy. L. D. Mayer 

2:20 852. Designed collagen peptide materials 

for tissue engineering. 

J. Chmielewski 

2:45 853. Chemically modified viral capsids 

as targeted platforms for diagnostic imaging 

and drug delivery. M. B. Francis 


3:15 854. Cooperative nanomaterials to 

sensitize, target, image, and treat tumors. 

M. J. Sailor,J.Park,L.Gu, 

G. von Maltzahn, S. N. Bhatia, 

E. Ruoslahti 

3:45 855. Programming nanoscale materials 

with peptides, enzymes and DNA. 

N. C. Gianneschi, M. Chien, 

M. P. Thompson, T. Ku, L. M. Randolph, 

A. M. Rush 

4:05 856. Nanoparticle-based delivery of 

siRNA. D. E. Levy, B. Frederick, Z. Ding, 

B. Luo, S. Zalipsky 

4:30 857. Oligonuceolotide-gold nanoparticles 

conjugates as intracellular gene 

regulation agents. C. A. Mirkin 

Section C 


Room 206A 



A. Mattson, Presiding 

1:00 858. Seebach’s conjunctive reagent 

enables double cyclizations. 

B. D. Chandler, J. T. Roland, 


1:20 859. New methods for C–C, C–O, and 

C–N bond formation. P. J. Walsh 

1:40 860. Sequential semipinacol-Beckmann 

rearrangements for the construction 

of 1-azaspirocycles. L. K. Sharma, 

G. I. Elliott 

2:00 861. Base- and ligand-free copper catalysis 

for the alkynylation of imines. 

C. H. Larsen, C. E. Meyet, C. J. Pierce 

2:20 862. Microwave-assisted domino [3,3]sigmatropic 

rearrangement of allylic 

azides and Overman rearrangements. 

A. A. Tjeng, R. Batey 

2:40 863. Palladium(II)-catalyzed dehydrogenative 

olefination of cyclic enaminones 

via oxidative Heck reaction. Y. Yu, 

M. J. Niphakis, G. I. Georg 

3:00 864. Synthesis of macrocyclic depsipeptides 

by cyclodimerization of amino 

esters and lactones. S. Kalidindi, 

A. B. Beeler, J. A. Porco 

3:20 865. Three step route to polycyclic 2,5dihydropyrroles 

from �-silyloxy ketones. 

M. Brewer, C. Draghici, Q. Huang 

3:40 866. Development of novel hetero 

Diels-Alder cycloaddition methodology 

for the total synthesis of cyclic guanidine 

alkaloids. M. Yu, V. Kumbam, 

S. Rasapalli 

4:00 867. Multicatalytic, asymmetric Michael/Stetter 

reaction of salicylaldehydes 

and activated alkynes. T. Rovis, 

C. M. Filloux, S. P. Lathrop 

4:20 868. Synthesis of new chiral vicinal diamines 

from isoquinoline and nitromethane. 

M. Ahamed,M.H.Todd 

4:40 869. Catalytic trifluoromethylation/ fluorination 

of aromatic and heteroaromatic 

compounds. F. Nowrouzi,R.A.Batey 

5:00 870. Stereoretentive and mild halogenation 

of cyclic alcohols catalyzed by titanium 

(IV) reagents: Evidence for a new 

front-side attack mechanism. S. Li, 

D. Mondal, S. D. Lepore 

Section D 


Room 203 



C. Anderson, Presiding 

1:00 871. Transition metal-catalyzed synthesis 

of N-heterocycles from azides: Relationship 

between mechanism and 

metal. T. G. Driver,B.J.Stokes, 

H. Dong, K. Sun, L. Urnezis 

1:20 872. Synthesis of highly substituted 

quinolines via a tandem ynamide benzannulation/iodocyclization 

strategy. 

T. P. WIllumstad, P. D. Boudreau, 


1:40 873. �-Carboline library development 

via inverse electron demand Diels-Alder 

reaction of indoles with 1, 2, 4-triazines. 

F. Ni,J.K.Johnson,S.E.Schaus, 

J. K. Snyder 

2:00 874. Synthetic routes to and reactivity 

of bicyclic diazenium salts. J. Wyman, 

M. Brewer 

2:20 875. Studies toward concise synthesis 

of calothrixin and its structural analogs. 

O. B. Olubanwo, S. Rasapalli 

2:40 876. Beckmann rearrangement and 

ring annulation of porphyrin dione 

oximes: Novel strategy toward the synthesis 

of long wavelength chromophores. 

J. Akhigbe,C.Brückner 

3:00 877. Syntheses of 3-azido azetidinones 

in [bmim][PF6]: A comparative study. 

M. S. Chorghade, A. M. Rahatgaonkar, 

A. M. Ghatole 

3:20 878. Novel application of oxonium 

(Meerwein) salts: Total synthesis of indole 

alkaloids. V. Kumbam,M.Yu, 

S. Rasapalli 

3:40 879. Synthesis and properties of novel 

benzisoxazole-N-oxides. M. G. Kociolek 

4:00 880. Syntheses, structures, modification, 

and optical properties of two isomericmeso-tetraaryl-2,3,12,13-tetrahydroxybacteriochlorins. 

L. P. Samankumara, M. Zeller, 

C. Brückner 

4:20 881. Synthesis of novel porphyrinoids 

through porphyrin N-oxidation. 

S. Banerjee, M. Zeller, C. Brückner 

4:40 882. 1,2,3-triazole coordinated boron 

complex as efficient reagent for C-B 

bond formation. T. Liao,X.Shi 

5:00 883. Synthesis of tetrabenzoquadrannulene 

(TBQ). B. Kumar,B.T.King 

Section E 


Room 204A 



S. Saha, Presiding 

1:00 884. Coupling molecular recognition 

with surface-enhanced resonance Raman 

scattering for quantitative TNT sensing. 

A. H. Flood, E. H. Witlicki, L. Jensen, 

E. W. Wong, J. O. Jeppesen 

1:20 885. Metal ion-assembled micro-collagen 

heterotrimers. M. A. Case, 

L. T. LeBruin, S. Banerjee 

1:40 886. Engineering self-assembled platinate 

nanostructures for cancer chemotherapy. 

A. S. Paraskar,S.Soni, 

S. Sengupta 

2:00 887. Structural diversity in organic solid 

derived from pyrazole-3,5-dicarboxylic 

acid and amines. O. Ugono, A. M. Beatty 

2:20 888. Highly selective fluorescent sensor 

for pyrophosphate in aqueous solution 

based on ESIPT turn-on. W. Chen, 

Y. Pang 

2:40 889. Alkynes of surprises: Acetylenes 

are a versatile electron withdrawing 

group for nucleophilic aromatic substitution. 

J. W. Wackerly, J. L. Katz, 

E. Braunstein, S. Carlin, M. Zhang, 

N. Staley 

3:00 890. Theoretical modeling of self-assembling 

DNA base super-structures on 

the Au(111) surface. R. E. Kelly,M.Mura, 

L. N. Kantorovich 





ORGN 

TECH–95


3:20 891. Control vs. chaos in the assembly 

of folding and DNA binding molecules. 

B. L. Iverson 

3:40 892. Synthesis of shell cross-linked micelles 

(SCMs) with Co-salen functionalized 

core. Y. Liu,M.Weck 

4:00 893. Light controlled guest binding in a 

molecular cavitand. O. B. Berryman, 

A. C. Sather, J. Rebek Jr. 

4:20 894. Odd-even effects on charge transport 

across n-alkanethiolate SAMs on 

metal/SAM/oxide/EGaIn junction. 

M. T. Mwangi, W. Reus, C. Nijhuis, 

C. Kim, J. Barber, M. D. Schulz, 


4:40 895. Multicomponent capsular assemblies 

of calix[4]resorcinarene: From hexamers 

to dimers. O. O. Ugono, 

K. T. Holman 

Section F 


Room 204B 



A. Wenzel, Presiding 

1:00 896. Development of new palladium 

precatalysts and their application to 

cross-coupling reactions. Y. Zhang, 

S. L. Buchwald, T. Kinzel 

1:20 897. Visible light photoredox catalysis: 

Applications in synthetic methodology. 

J. W. Tucker, J. M. Narayanam, 

J. D. Nguyen, S. R. Corey 

1:40 898. Metal-catalyzed carbonylative cyclization 

of unactivated alkyl halides with 

alkenes. E. J. Alexanian 

2:00 899. Pd(II) mediated disubstitution of 

alkenes by carbon and heteroatom nucleophiles. 

B. S. Matsuura, A. Condie, 

P. Fink, C. R. Stephenson 

2:20 900. Electron-transfer photoredox catalysis: 

Development of a phosphine-free 

halogenation of alcohols. C. Dai, 

J. M. Narayanam, C. R. Stephenson 

2:40 901. Development of catalysts for Pdcatalyzed 

C–N cross-coupling reactions. 

B. P. Fors, S. L. Buchwald 

3:00 902. Intermolecular Rh(II)-catalyzed reactions 

of �-diazolactones and �-diazolactams: 

Remarkable selectivity over tertiary 

C-H bond migration. A. DeAngelis, 

J. M. Fox 

3:20 903. Nickel-catalyzed reductive coupling 

of organohalides to electron-deficient 

olefins forming 1,4-conjugate addition 

products. R. Shrestha,D.J.Weix 

3:40 904. Remarkable effect of sulfate additives 

on the palladium-catalyzed cyanation 

of aryl chlorides. M. Shevlin 

4:00 905. Ylide chemistry via Co(III)Corroles: 

Axial ligand effects of epoxidation and 

N-H insertion reactions with diverse 

diazo-compounds. C. Kim, P. X. Zhang, 

C. Ludwin 

4:20 906. Epoxidation of olefins using chiral 

salen vanadium catalysts. J. A. Miranda, 

E. J. Martin 

Section G 


Room 207 


96–TECH 


S. Phillips, Presiding 

1:00 907. Preparation of polymers conjugated 

with �-extended quinone: Optical 

and redox properties of the polymers. 

E. Yoshikawa, T. M. Swager 


1:20 908. Redox-driven structural folding 

and unfolding: Electronic communication 

between TTF units anchored onto a C 2symmtric 

aryleneethynylene scaffold. 

J. Jung, W. Liu, D. Lee 

1:40 909. Conjugated polymers that respond 

to oxidation with increased emission. 

E. L. Dane, T. M. Swager 

2:00 910. Role of metal ions and counterions 

in the switching behavior of spiropyrans. 

S. Giordani, M. Natali, L. Soldi, 

C. Aakeroy, J. Desper 

2:20 911. Detection of ethylene gas with a 

conjugated polymer/copper composite. 

B. Esser, T. M. Swager 

2:40 912. Metal-induced switching of a hydrazone-based 

rotary switch. 

I. Aprahamain,X.Su 

3:00 913. Polymer electrolyte based room 

temperature oxygen microsensors for 

aerospace applications. J. C. Xu, 

G. W. Hunter, C. Liu 

3:20 914. Electronic restoration of damaged 

lithium ion batteries. S. A. Odom, 

Z. Zhang, W. Weng, S. Kang, 

N. R. Sottos, K. Amine, J. S. Moore 

3:40 915. Microvascular composite materials 

using sacrificial fibers. 

A. P. Esser-Kahn, H. Dong, P. Pthakre, 

B. Kozola, M. Cale, J. Patrick, S. White, 

N. Sottos, J. S. Moore 

4:00 916. Multistate [3]catenanes utilizing 

highly stable TTF radical dimers. 

A. Coskun, J. M. Spruell, D. C. Friedman, 

G. Barin, J. Stoddart 

4:20 917. Functional materials derived from 

renewable sources. R. A. Smaldone, 

J. J. Gassensmith, R. S. Forgan, 

O. M. Yaghi, J. F. Stoddart 

4:40 918. Design and synthesis of rigid 3D 

hydrophilic structures for improved properties 

of conjugated polymers in water 

and postpolymerization strategies for 

sensing of proteins and influenza. 

B. VanVeller, T. M. Swager 

5:00 919. Tuning optical and electronic 

properties of arene-based organic semiconductors 

via perfluoroalkylation. 

H. Sun, M. Billion 

Section A 


Ballroom East 

Technical Achievements in Organic 

Chemistry Award Symposium 

J. Cohen, C. Welch, Organizers, Presiding 


2:05 920. Characterization of drug-eluting 

coronary stents by vibrational spectroscopy 

and multivariate analysis. 

M. F. Chisholm 

2:30 921. Isoindolinones as glucokinase activators. 

R. F. Kester, S. J. Berthel, 

K. R. Guertin, J. Tengi, L. Orzechowski, 

L. Qi, J. Grimsby 

2:55 922. Development of an asymmetric alkylation 

towards an 11�-HSD1 inhibitor. 

C. F. Bernard, G. A. Moniz, M. J. Frizzle, 

L. M. Brown, C. D. Papageorgiou, 

J. S. Tedrow, E. A. Bercot, S. Caille, 

S. Cui, S. Wang, M. J. Martinelli, 

M. M. Faul, R. D. Larsen, K. B. Hansen 

3:20 923. Automated Chemistry: The development 

and use of low-cost automated 

chemical workstations for performing organic 

synthesis, sample preparation, material 

testing, and improving productivity 

and safety of laboratory operations. 

R. Shumate 

3:45 924. Synthetic highlights: Examples 

from early lead to clinical candidates in 

oncology and neuroscience therapeutic 

areas. N. Patel 

4:10 925. Optimization of oligonucleotide 

synthesis at Merck. E. Vazquez 

4:35 926. Modifications on the nucleotide 

sugar: Manipulation of GPCR activity. 

S. R. Shaver 


Section A 


Ballroom 

Chemistry for Preventing & Combating 

Disease, New Reactions & Methodology 

and Total Synthesis of Complex Molecules 


7:00–10:00 

927. Synthesis of epi-galiellalactone analogs. 

R. Gidlof, M. Johansson, O. Sterner 

928. Toward the total synthesis of the transtaganolides/basiliolides. 

R. Larsson, 

O. Sterner, M. Johansson 

929. Gentamicin component separation. 

J. Grote, R. Himmelsbach, D. Johnson 

930. Syntheses of dioxa-bicyclo[3.2.1] 

octane-2,3,4-triol derivative SGLT2 inhibitors. 

C. Préville, V. Mascitti 

931. Enamide-ene metathesis for constructing 

chiral 2-cyclopropylheterocycles: Indole, 

quinoline, benzofuran and 

chromene. T. Kobayashi,M.Arisawa, 

S. Shuto 

932. Tuneable nanotools for bioapplications: 

Soft organic nanodots as an eco-friendly 

alternative to quantum dots. C. Rouxel, 

O. Mongin, J. Vabre, Y. Mir, Y. Wei, 

A. Pla-Quintana, J. Majoral, A. Caminade, 

M. Blanchard-Desce 

933. Discovery of antibacterial virulence inhibitors 

targeted at Type III protein secretion. 

L. K. Tsou, J. Yount, P. Dossa, 

H. C. Hang 

934. Synthesis of estrogen receptor (ER) antagonist 

derivatives for breast cancer. 

K. Dao, A. Kozhushuyan, J. A. Hendricks, 

H. Pham, R. N. Hanson 

935. Towards B vitamin targeted light-activated 

cancer drug conjugates. 

K. Dhananjay, R. J. Fradette,F.G.West 

936. Development of SHIP activators: Potentially 

selective cancer therapy. 

L. G. Meimetis, M. Nodwell, C. Wang, 

L. Yang, A. L. Mui, C. Ong, G. Krystal, 

R. J. Andersen 

937. Solution- and solid-phase synthesis of 

potential anticancer HDAC inhibitors. 

T. R. Blum, H. K. Shah, X. Zang, 

A. R. Korn, D. M. Wholly, J. S. Miller 

938. Controlling biofouling by a kosmotrope 

approach for surfaces and materials. 

D. Bandyopadhyay, P. Sejwal, 

D. Prashar, Y. Y. Luk 

939. Singlet oxygen delivery via a fiber opticbound 

photosensitizer. M. Minnis, 

A. Greer 

940. Organic photonic nanoparticles for bioconjugation. 

C. Cordovilla,T.M.Swager 

941. Targeting Gp120’s binding sites. 

C. I. Dogo-Isonagie,S.N.Lam, 

C. A. Bewley 

942. Encapsulation of neutral and charged 

molecules into catanionic surfactant vesicles 

for drug delivery applications. 

L. H. Rader, J. Park, D. S. English, 

F. Khachik, P. DeShong 

943. MSN as controlled release devices and 

diagnostic tools. P. DeShong, 

M. T. Hurley, S. Galanie, D. S. English, 

M. Zachariah, C. Wu, Z. Wang, E. Liu, 

P. DeMuth 

944. Investigation of structure and function 

of thin films of nitric oxide synthase and 

polyethylenimine formed using the layerby-layer 

deposition method. 

M. N. Gunasekera, M. Bayachou 

945. Targeting IspC in non-mammalian isoprenoid 

biosynthesis. D. J. Meyers, 

C. L. Freel Meyers 

946. Chemogenomic analysis of adipogenesis 

using functional proteomics. W. Li, 

J. Pawlak, E. Dominguez, E. Saez, 

B. Cravatt 

947. Inhibition of the serine protease chymase 

by silanediols. Y. Bo,C.Cao, 

S. M. Sieburth 

948. Short, asymmetric synthesis of 

silanediol protease inhibitors. 

H. Q. Duong, S. Singh, Y. Bo, 

S. M. Sieburth 

949. Regioselective, iron-catalyzed allylic 

sulfonation of allylic carbonates. 

M. Jegelka, B. J. Plietker 

950. New N-heterocyclic carbene-derived alkylidene 

imidazolines. C. E. Knappke, 

A. Jacobi von Wangelin, A. J. Arduengo, 

III 

951. Synthesis of non-racemic enaminones 

via 6-exo-dig ketene cyclization. H. Seki, 

G. I. Georg 

952. Synthesis of vinyl sulfones with aldehyde 

and phenylsulfonylacetic acid using 

benzyltrimethyl ammonium hydroxide as 

base. R. Rengasamy,D.C.Forbes 

953. Stereoselective synthesis of the tetracyclic 

core of the codeine alkaloid using (-)shikimic 

acid as the chiral source. 

T. N. Dinh, A. Chen, C. L. Chai 

954. Progress toward the synthesis of decahydroquinolines 

(DHQs) from 2-alkenyltethered 

oxazolium salts. S. A. Habay 

955. Towards the total synthesis of leustroducsin 

B. P. B. Cranwell, 

K. L. Bridgwood, M. R. Huttl, 

D. A. Salinger, S. Wittrock, S. V. Ley 

956. Flow chemistry for natural product synthesis: 

Towards the syntheses of spiragiens 

A and B. C. F. Carter,H.Lange, 

S. Newton, S. V. Ley 

957. Total synthesis of novel analogs of dictyostatin. 

E. G. Williams, I. Paterson 

958. Electrophilic properties and NMR studies 

of triphenylphosphine–trifluoromethanesulfonic 

anhydride: An efficient dehydrating 

reagent system for the conversion 

of aldoximes into nitriles. Z. Moussa 

959. Improved preparation of (S)-Z/E-N-(1- 

(tert-butyldimethylsilyloxy)propan-2ylidene)-2- 

methylpropane-2-sulfinamide 

and analogs. X. Shi, H. Chang, 

D. G. Walker, R. Chen, W. F. Kiesman 

960. Spectroscopic analysis of the (HQ) 3C 60 

compound. S. Ahn, J. Yoon, H. Lee, 

B. Nam, B. Kim, G. Lee, D. Moon, H. Shin 

961. Mild and highly chemoselective deprotection 

of methoxymethyl (MOM) ethers 

in combination with TMSOTf (TESOTf)– 

2,2�-bipyridyl. T. Maegawa, O. Kubo, 

K. Senami, Y. Minamitsuji, H. Fujioka 

962. Efforts toward an enantiospecific synthesis 

of the natural product pleurotin. 

D. A. Siler, D. C. Ebner, E. J. Sorensen 

963. Soft Lewis acid-catalyzed cycloisomerization 

reactions. Z. Wang, Z. Wang 

964. Synthesis of 3,5-di-tert-butyl-2-iodocyclopenta-2,4-dienone 

via novel ring-contraction 

iodination reaction and its application 

for syntheses of various 

ethynylene functionized cyclopentadienone 

rings. X. Chen, T. C. Sandreczki, 

X. Bai, J. R. Dias, C. Barnes 

965. Synthetic applications of N–O tethered 

intramolecular 1,7-C–H insertion reactions. 

J. Wang,H.O.Sintim 

966. Asymmetric total synthesis of (-)-doliculide: 

An exceptionally potent cytotoxic 

compound for HeLa cells. A. V. Madduri, 

A. J. Minnaard 

967. One-step synthesis of nanofibers of aniline 

oligomers using benzoquinone oxidant. 

S. P. Surwade, S. Agnihotra, 

N. Manohar, S. K. Manohar 

968. Polystyrene supported aluminum chloride 

as an efficient and reusable catalyst 

for one-pot preparation of �-aminophosphonates 

via three component coupling 

reaction of aldehydes, amines, and diethyl 

phosphite. B. Tamami, K. Parang, 

A. N. Shirazi 

969. Esterification of aldehydes and alcohols 

with pyridinium hydrobromide perbromide 

in water. S. Sayama 

970. Intramolecular photocyclization: Cyclopropanation 

vs. epoxidation. 

M. R. Buchner, K. Ruhland 






consent from ACS.

971. Practical synthesis of 6-carboalkoxy- 

13-cycloalkyl-5H-indolo[2,1-a] [2] benzazepine-10-carboxylic 

acid derivatives. 

P. Hewawasam, Y. Tu, T. Hudyma, 

R. Gentles, N. Meanwell, J. Kadow 

972. Pd/C catalyzed reductive formylation of 

indoles and quinolines. R. Gianatassio, 

A. Kulkarni,B.Török 

973. Synthetic studies toward the cytotoxic 

marine peptide lucentamycin A. 

S. Ranatunga,U.Pal,J. R. Del Valle 

974. Makeover of the halogen/lithium exchange: 

Continuous reactor studies. 

D. W. Slocum, D. Kusmic, J. C. Raber, 

P. E. Whitley 

975. Studies towards the synthesis and 

structure determination of palmerolide C. 

J. Wlochal, S. Eadie, G. J. Florence 

976. Preparation of 2,5-disubstituted pyrazolo[4,3-c]cinnolin-3-ones. 

D. R. Pitts, 

R. M. DiPardo, A. W. Johnson, V. Cofre, 

D. C. Beshore 

977. Development of aromatic thiol-catalysts 

for intramolecular Morita-Baylis-Hillman 

and Rauhut-Currier reactions. P. S. Selig, 

S. J. Miller 

978. Studies towards the synthesis of palmerolide 

A. S. Eadie, R. Murray, 

G. J. Florence 

979. Iron(III) tosylate catalyzed deprotection 

of acetals and tetrahydropyranyl ethers. 

M. V. Chiodo, P. R. Lazzara, M. E. Olson, 

V. V. Angeles, R. S. Mohan 

980. Direct asymmetric synthesis of 

�-butenolides by bifunctional thiourea 

catalyzed coupling of 2-(3H)-furanones to 

aldehydes. S. J. Howard,P.D.Bloom 

981. Synthetic studies towards the aplyronines: 

Potent anticancer marine macrolides 

isolated from Aplysia kurodai. 

S. J. Fink, L. Y. Lee, I. Paterson 

982. Thermal rearrangement of cyclobutadiene 

cycloadducts: A novel approach to 

5-7-5(6) ring system. J. He, 

M. L. Snapper 

983. Fluorous benzaldehyde-based multicomponent 

reactions for heterocycles. 

B. Piqani, S. Ding, T. Xu, W. Zhang 

984. Synthesis of quaternary carbon centers 

via hydroformylation using a scaffolding 

ligand. X. Sun, K. Frimpong, 

T. E. Lightburn, K. L. Tan 

985. Chlorination of metalated nitriles and 

enolates. B. R. Pitta, F. F. Fleming 

986. Progress toward antiproliferative agent 

popolohuanone E: A general approach to 

complex cis-fused decalins featuring catalytic 

carbon insertion methodology. 

H. Z. Kaplan, J. S. Kingsbury 

987. Total synthesis of flinderoles A-C by 

gold(I)-catalyzed hydroarylation of indole. 

R. M. Zeldin,F.Toste 

988. Synthetic studies of tamandarin B side 

chain analogs. J. Lee, K. M. Lassen, 

M. M. Joullie 

989. New designs of polyphenylene dendrimers 

for full-color light-emitting diodes. 

T. Qin,K.Müllen 

990. New C-H functionalization route to heterocycles. 

M. Yagoubi, M. C. Willis, 

P. Nichols 

991. Synthesis of heterobifunctional linkers 

for nanomedicinal chemistry. 

R. N. Hanson, K. Dao, T. Dunstan, 

A. Kozhushuyan, J. A. Hendricks, 

H. Pham, V. Ronga 

992. Diastereoselective 2-aza-Cope rearrangements 

and their applications in diversity-oriented 

synthesis. 

B. M. Ibbeson, D. T. Blackwell, 

D. R. Spring 

993. Application of in situ silver-imidazolylidene 

complexes in ionic liquid mediated 

glycosidation reactions. V. Kumar, 

I. J. Talisman, S. V. Malhotra 

994. Dual role of ionic liquids as phase transfer 

catalysts and solvents for O-glycosidation 

reactions. V. Kumar, 

I. J. Talisman, S. V. Malhotra 

995. Ligand-assisted, copper-catalyzed intramolecular 

amination. D. N. Barman 

996. Microwave-based methodology for the 

preparation of organoselenium compounds. 

M. Marques, I. L. Martins, 

C. Charneira, A. J. Vieira, A. M. Antunes 

997. Total synthesis of spinosyn analogs. 

N. Schützenmeister, L. F. Tietze 

998. Synthetic studies toward the synthesis 

of Bromophycolides. H. Lin, I. Krauss 

999. Insertion reactions of titanacyclobutanes. 

G. Liu, I. Krauss 

1000. Reductive substitution of aromatic 

substituted acetonitriles with lithium 

naphthalenide and electrophiles. I. Chen, 

J. Tsao, T. Tsai, H. Liu, J. Zhu 

1001. Synthesis of functionally diverse iodonium 

salts via in-situ generated [hydroxy- 

(tosyloxy)iodo]arenes as precursors to 

18 F-labeling agents. J. Chun,V.W.Pike 

1002. Progress toward the synthesis of 

marineosins A and B. X. Cai,B.B.Snider 

1003. Progress toward the synthesis of 7-hydroxylycopodine 

and sauroine. H. Lin, 

B. B. Snider 

1004. Triphenylphosphine/brominating 

agent: An efficient reagent for the preparation 

of allylic bromides from allylic alcohols. 

P. Taboonpong, W. Chavasiri 

1005. New and efficient protocol for the synthesis 

of bromosilane using Br 3CCOOEt/ 

PdCl 2. P. Srithanakit, W. Chavasiri 

1006. Electron transfer induced [2�2] cycloaddition 

reactions and cycloreversion 

reactions of cyclobutane ring. Y. Okada, 

K. Chiba 

1007. Progress toward the total synthesis of 

Brasilicardin A. S. Yi, C. Regan, 

M. E. Jung 

1008. Multi-drug resistance reversal agents: 

Update on the synthesis of euphosalicin. 

C. Aichinger, C. R. Lentsch, U. Rinner 

1009. Catalytic scaffolding ligands: An efficient 

method for directing reactions. 

T. E. Lightburn, M. T. Dombrowski, 

K. L. Tan* 

1010. Approaches to the synthesis of isaindigotidione. 

M. Hellal,G.D.Cuny 

1011. Nickel-catalyzed cross-couplings of 

secondary alkyl nucleophiles with aryl halides. 

A. Joshi-Pangu, M. Ganesh, 

M. Biscoe 

1012. Quick access to the tetracycle of 

strychnose alkaloids: Concise racemic 

and asymmetric total syntheses of 

akuammicine, strychnine. G. Sirasani, 

R. B. Andrade 

1013. Allyl and crotyl transfer by allyldioxazaborolidines. 

M. K. Reilly, 

S. D. Rychnovsky 

1014. Synthesis and characterization of ferrocenyl 

chalcones: Potential compounds 

against some diseases. 

M. R. Otaño-Vega, 

N. Lafontaine-Vargas, 

R. Cardona-Couvertier, 

I. Montes-González, 

A. R. Guadalupe-Quiñones 

1015. Intramolecular, thermal [2 � 2] cycloaddition 

reactions of allene-ynes: Exploring 

the scope, mechanism, and application 

to natural product synthesis. 

K. M. Brummond, J. M. Osbourn 

1016. Intramolecular 1,4-addition of nitrogen 

nucleophile and halogen to conjugated 

enyne. J. B. Werness, W. Tang, N. Liu 

1017. Synthetic studies toward pseudotabersonine 

and 5-epi-pseudotabersonine. 

B. Cheng, J. D. Sunderhaus, 

S. F. Martin 

1018. Synthesis of p-benzoquinone methides 

via benzannulated enediynyl alcohols. 

B. Wen, J. L. Petersen, K. K. Wang 

1019. Synthesis of lipophilic dodecyl bis(cycloSaligenyl) 

nucleoside monophosphate 

triesters. Y. Ahmadibeni, B. Carroll, 

G. F. Doncel, K. Parang 

1020. Synthesis of branched lipophilic thymidine 

�-triphosphate triester conjugates 

of anti-HIV nucleosides. Y. Ahmadibeni, 

K. Parang 

1021. Direct, HF free, synthesis of tetrabutylammonium 

organotrifluoroborates. 

G. Prakash, F. Pertusati,G.A.Olah 

1022. Lewis-acid catalyzed [5�2]-annulation 

toward stereoselective formation of functionalized 

azapines. J. Woo 

1023. Domino reactions based upon the Ruthenium-catalyzed 

redox isomerization. 

A. W. Franz, B. M. Trost 

1024. New highly enantioselective organocatalytic 

N-acyliminium cyclization cascades. 

M. E. Muratore, C. A. Holloway, 

D. J. Dixon 

1025. Homoaporphine synthesis via microwave-assisted 

direct arylation. 

S. Chaudhary, W. W. Harding 

1026. Development of a 2-aza-Cope-[3�2] 

dipolar cycloaddition strategy for the synthesis 

of quaternary proline scaffolds. 

M. P. McCormack, S. P. Waters 

1027. Practical synthesis of tert-butyl 

amides from nitriles. J. C. Baum, 

J. E. Milne, J. A. Murry, O. R. Thiel 

1028. Metalated nitriles: Preferential S N2 cyclizations 

of allylic chlorides. W. Liu, 

P. Lu, P. C. Ravikumar,F.F.Fleming 

1029. Development of a new method for Rucatalyzed 

tandem ring-closing metathesis/hydroacylation. 

Y. Nam, 

M. L. Snapper 

1030. Copper-catalyzed click reactions of 

C-6 azidopurine nucleosides. 

M. K. Singh, M. K. Lakshman 

1031. Diastereoselective routes to �-aryl and 

�-alkyl lactones: Mechanistic insights and 

model synthetic studies toward highly oxidized 

marine diterpenoids. 

A. G. Macabeo, A. Kreuzer, O. Reiser 

1032. Synthesis of O-vinyl oxime ethers by 

iridium-catalyzed isomerization of O-allyl 

oxime ethers: Reactivity, Control of stereochemistry, 

and application to the synthesis 

of pyrroles. H. Wang, L. Anderson 

1033. Total synthesis of the indole alkaloid 

(�)-subincanadine F. X. Cheng, 

S. P. Waters 

1034. Asymmetric synthesis of substituted 

piperidines via aziridinium intermediates. 

S. Jarvis, A. Charette 

1035. New ligand for Ullmann type aryl halide 

couplings. F. Damkaci, E. Altay 

1036. Studies on the regioselectivity of catalytic 

carbon insertion. A. F. Kornahrens, 

J. A. Dabrowski, J. S. Kingsbury 

1037. Bismuth salt-initiated epoxide rearrangement 

and addition reactions toward 

2,6-disubstituted dihydropyrans: What is 

the role of bismuth? R. F. Lambert, 

S. E. Ammann, L. C. Speight, Y. Lian, 

J. Liu 

1038. Factors affecting the rate of Diels-Alder 

reactions involving 2-trialkylsilyloxy 

furans. N. A. Setterholm, N. D. Serratore, 

A. M. Franey, S. K. Bur 

1039. Palladium-catalyzed asymmetric difunctionalization 

of substituted vinyl phenols. 

T. P. Pathak,K.H.Jensen, 

M. S. Sigman 

1040. Novel AlMe 3-promoted formation of 

amides from acids and amines. J. Li, 

D. Smith, K. Subramaniam, J. J. Li, 

G. D. Vite, B. Chen 

1041. Synthesis of regiospecifically fluorinated 

vinyl triazoles. R. Kumar,B.Zajc 

1042. Rh(I)/diene-catalyzed addition reactions 

of aryl/alkenylboronic acids with aldehydes. 

C. Xing 

1043. Use of transition metal-catalyzed intramolecular 

cyclization reactions in the 

total synthesis of oroidin-derived alkaloids. 

M. R. Bhandari, C. J. Lovely 

1044. First total synthesis and structural 

confirmation of fluvirucinine A 2 via an iterative 

ring expansion. Y. Lee, J. Jung, 

H. Yun, S. Lee, Y. Suh 

1045. Concise total synthesis of (�)-tetrabenazine 

and (�)-�-dihydrotetrabenazine. 

S. Paek, N. Kim, H. Moon,Y.Suh 

1046. Intermolecular [3�3] cycloadditions of 

azides with the Nazarov intermediate. 

O. Scadeng,F.G.West 

1047. One-pot preparation of alkyl halides 

from alkyl diphenylphosphinites. 

K. Ruchamanee, W. Chavasiri 

1048. Synthesis of succinate diesters as internal 

donor for isotactic polypropylene 

production process. 

N. Sittichokwongkamol, W. Chavasiri 

1049. Modular synthetic approach to Amicetin 

derivatives. C. M. Serrano, 

R. E. Looper 

1050. Synthesis of aryl 1,3-butadienes from 

the haloallylation of aryl aldehydes using 

boron trihalide and subsequent elimination 

with DBU. M. Quinn,M.Yao, 

G. Kabalka 

1051. Copper-catalyzed chlorination of functionalized 

arylboronic acids. H. Wu, 

J. Hynes 

1052. Progress toward the asymmetric total 

synthesis of Iriomoteolide 1A. 

A. R. Dechert,M.T.Crimmins 

1053. Utilizing the nitroso-ene reaction for 

the synthesis of hydroxamic acid-based 

natural products. R. Banerjee,S.B.King 

1054. Minimizing the cost of organic chemistry 

experimentation: Low-barrier microscale 

high-throughput experimentation. 

S. Berritt, S. D. Goble, M. T. Tudge, 

D. Conway, S. D. Dreher 

1055. Toward the synthesis of Thapsigargin. 

C. Huang, K. Brummond 

1056. Chiral phosphoramidic acids catalyzed 

Mannich reaction. D. Ramella, 

S. E. Schaus 

1057. Studies directed toward the synthesis 

of montamine. E. A. Colby Davie, 

M. A. Dion, G. J. Dugas, J. M. St. Louis, 

L. E. Lupien 

1058. Formation of decahydroquinoline ring 

systems from 2-acyl-5-amino-oxazolium 

ions. C. H. Basch,S.A.Habay 

1059. One-flask synthesis of benzyl phosphonates 

from benzylic alcohols mediated 

by ZnI 2. R. M. Richardson, 

R. J. Barney, D. F. Wiemer 

1060. Progress toward the synthesis of embedded 

tetrahydrofuranyl isosteres. 

C. M. Spencer,C.K.Zercher 

1061. Studies toward the synthesis of (5R)polyandrane. 

V. A. Cwynar, 

M. G. Donahue, S. J. Fretz, D. J. Hart, 

G. Mbogo, D. Yang 


1063. Lewis acid catalyzed homo-Nazarov 

cyclization of donor-acceptor substituted 

cyclopropanes. D. V. Patil,S.A.France 

1064. Development of a divergent synthesis 

for the modular assembly of the zoanthamine 

alkaloids. L. H. Phun, 

S. A. France 

1065. Radical cyclizations and atom-transfer 

radical cyclizations enabled by visible 

light photoredox catalysis. J. D. Nguyen, 

J. W. Tucker, J. M. Narayanam, 


1066. Photoactivation and photopassivation 

of pristine and modified carbonaceous 

materials as catalysts for benzylic oxidation. 

V. Rajpara, G. Sereda 

1067. Regioselective synthesis of tert-allylic 

ethers via Gold (I) catalysis. 

M. S. Hadfield 

1068. Novel Lamellarin alkaloid-inspired libraries 

via cycloisomerization/dipolar cycloaddition. 

S. Bhagwanth,S.E.Schaus, 

J. A. Porco, Jr. 

1069. Using chiral, strained olefins to rapidly 

assemble complex molecules. 

M. T. Taylor,J.M.Fox 

1070. Synthesis of trisubstituted-1,2,4-triazoles 

as somatostatin subtype-4 receptor 

ligands. I. Daryaei, M. Crider 

1071. Chemical conversion of cellulose biomass 

to biofuels. S. F. Panos, J. Kenny, 

K. C. Pereira, J. Hegner, B. DeBoef, 

B. Lucht 

1072. Progress towards the synthesis of isatisine 

A. J. D. Mighion,J.L.Moore, 


1073. Synthesis of new rigidified manganese(III)-bis-salicylimine 

peroxynitrite decomposition 

catalysts for the treatment of 

chronic pain. M. Ghaffari, B. Neumann 

1074. Asymmetric synthesis of the enantiomer 

and six diastereomers of the trisaccharide 

portion of PI-080 and Vineomycin 

C. Q. Chen, Y. Zhong, G. A. O’ Doherty 





ORGN 

TECH–97

ORGN/PETR TECHNICAL PROGRAM 

1075. Synthesis of bis(cycloSaligenyl) pronucleotides 

containing two nucleosides 

from bis(methoxymethyl)benzene-1,4diol. 

Y. Ahmadibeni, R. Tiwari, 

G. F. Doncel, K. Parang 

1076. Platinum(II) catalyzed rearrangement 

of 4-oxaspiro[2.3]hexanes. M. S. Thakur, 

A. R. Howell 

1077. Stereoselective allylic alcohol epoxidations 

using chiral vanadium catalysts. 

M. L. McCrea-Hendrick, J. Miranda 

1078. New strategies for hydrogen bond donor 

catalysis. J. A. Burkett,S.S.So, 

A. E. Mattson 

1079. Towards the total synthesis of a new 

sesquiterpene having a unique carbon 

squeleton. W. S. Bechara, D. Marcoux, 


1080. Synthesis of new Dictyostatin analogs 

via an intramolecular NHK approach. 

M. Jimenez, W. Zhu, D. Camarco, 

A. Vogt, B. W. Day, D. P. Curran 

1081. Studies towards total synthesis of procyanidin 

B2 and neochamaejasmin A. 

R. Demerzhan, S. Schaus 

1082. Suzuki cross-coupling: Chemoselectivity 

with vinyl boronates and allylic acetates, 

benzoates, and carbonates. 

B. Kim, M. M. Hussain, H. Hussain, 

P. J. Walsh 

1083. Fluorous mixture synthesis and spectroscopic 

analysis of the phytophthora 

mating hormone �1 and the corresponding 

bis-MTPA esters. R. Bajpai, 

D. P. Curran 

1084. Sulfinylnitriles: Sequential carbonate 

alkylation and sulfinyl-metal exchange. 

D. Nath, F. Fleming 

1085. Multivalent activation in phosphate triesters: 

Application in the synthesis of bioactive 

molecules. R. Chegondi, 

C. D. Thomas, P. K. Venukadasula, 

S. Jayasinghe, S. Maitra, J. P. Mcparland, 

A. Whitehead, J. D. Waetzig, 

P. R. Hanson* 

1086. Phosphate-mediated, one-pot, sequential 

RCM/CM/hydrogenation approach 

toward the total synthesis of bioactive 

natural products. 

P. K. Venukadasula, R. Chegondi, 

S. Maitra, C. D. Thomas, P. R. Hanson* 

1087. Synthesis of functionalized amino-indanes 

via tandem aza-Prins and intramolecular 

Friedel-Crafts reactions of aryl Nphosphinylimines. 

O. J. Ingham, 

H. Kinoshita, A. B. Beeler, J. A. Porco 

1088. De novo asymmetric syntheses and 

biological evaluation of the analogs of 

SL0101. Q. Zhang, B. Wu, M. Shan, 

G. A. O’Doherty 

1089. Small molecule synthesis: Copper catalyzed 

allene formation and substituted 

cyclopropenes via dianion chemistry. 

M. Hassink,J.Fox 

1090. Phosphorus-based oligomers for application 

in synthesis. P. K. Maity, 

T. B. Samarakoon, A. Rolfe, T. R. Long, 

S. Faisal, R. D. Kurtz, P. R. Hanson* 

1091. Macrocyles through fragmentation of 

fused bicyclic ring systems. A. Bayir, 

M. Brewer 

1092. Utilizing fumagillol as a scaffold for diversity-oriented 

synthesis. 

B. R. Balthaser, J. A. Porco, 

J. K. Snyder, A. B. Beeler 

1093. Progress toward the total synthesis of 

(�)-tedanolide. D. Yoo, M. E. Jung 

1094. Total synthesis of rhodexin A. D. Yoo, 

H. V. Chu, M. E. Jung 

1095. Studies in oxidation of sulfides using 

pentavalent iodine reagents. 

V. G. Shukla, P. D. Salgaonkar, 

K. G. Akamanchi 

1096. Toward the synthesis of magnesidin, a 

tetramic acid. S. R. Pingali 

1097. Progress towards the total synthesis 

of (S)-jamaicamide C. E. O. De Oliveira, 

K. M. Graf, M. L. Brown, M. Paige 

98–TECH 


1098. Synthetic applications of indole aryne 

cycloadditions: New strategies for the 

construction of complex natural products. 

N. Chandrasoma, H. A. Brassfield, 

N. Brown, D. Luo, A. Nerurkar, 

K. R. Buszek 

1099. Synthesis of novel Warfarin conjugates. 

B. P. Klemm, E. Tsogtbaatar, 

P. M. Doyle, D. E. Lewis 

1100. High-speed synthesis of 3,6-disubstituted 

pyrazolo[1,5-a]pyrimidines applied 

to bone morphogenetic protein signaling 

inhibitors. J. Liu, G. D. Cuny, P. B. Yu, 

X. Xing, K. D. Bloch, R. T. Peterson 

1101. Microwave-assisted synthesis of a 

naphtho-fused piperidine core via the intramolecular 

[4�2] cycloaddition of conjugated 

arenynes and alkynes: A model 

study for the potential synthesis of the 

antitumor agent Scriptaid. J. E. Horta 

1102. New SiliaBond ® coupling reagents to 

expedite amide synthesis. G. Gingras, 

O. Marion, M. Morin, F. Béland 

1103. Efficient removal of osmium-based 

catalysts using SiliaBond ® metal scavengers. 

G. Gingras, S. Potvin, F. Béland 

1104. Exploiting bacterial iron acquisition for 

antibiotic delivery: Synthesis, iron-binding 

properties, and microbiology of the 

trihydroxamate siderophore danoxamine, 

analogs, and antibiotic conjugates. 

T. A. Wencewicz, M. J. Miller 

1105. Development of a Mitsunobu-like process 

catalytic in phosphine. C. J. O’Brien, 

A. L. Carter 

PETR 

Division of Petroleum 

Chemistry 

K. Fjare, Program Chair 


Heavy Hydrocarbon Resources: 

Characterization, Upgrading and 

Utilization (see FUEL, Thu) 

Chemistry, Production, and Use of 

Green Fuels (see FUEL, Wed) 


Liquids Conversion (see FUEL, Wed & 

Thu) 

Storch Award: Symposium in Honor 

of Chunshan Song (see FUEL, Tue & 

Wed) 

Catalysis for Energy Storage (see 

CATL (probationary), Thu) 


PETR/FUEL Dinner, 6:30 PM: Tue 


Executive Committee Meeting, 

4:00-6:00 PM: Sat 

Business Meeting, 12:00 PM: Tue 


Section A 



Symposium in Honor of Henrik Topsoe 

C. Song, Organizer, Presiding 

F. Besenbacher, Presiding 


9:05 1. Probing the atomic-scale details of 

molecular adsorption on MoS 2 and 

CoMoS nanoclusters by STM. 

F. Besenbacher 

9:35 2. Advances in high-resolution transmission 

electron microscopy for catalysis. 

S. Helveg 

10:05 3. Recent advances in NO adsorption 

on Mo sulfide-based hydrotreating catalysts. 

N. Topsoe 


10:50 4. DFT insights on industrial supported 

catalysts. P. Raybaud 

11:20 5. Hydrotreating from first principles. 

B. Hinnemann 

11:50 6. Design rules for CoMo/Al2O3 hydrotreating 

catalysts: How to obtain true 

type II ‘Co-Mo-S’. E. Hensen, 

I. A. Dugulan, R. J. van Veen 




and PETR 


Section A 





E. Hensen, U. Ozkan, Presiding 


1:35 7. HDS studies on phosphide catalysts. 

T. S. Oyama, H. Zhao, H. Freund, 

K. Asakura, R. Wlodarczyk, M. Sierka 

2:05 8. Hydrodesulfurization properties of 

bimetallic and noble metal phosphide 

catalysts. M. E. Bussell, R. H. Bowker, 

J. R. Hayes, M. C. Smith, L. E. Bergquist, 

G. Savithra, S. L. Brock 

2:35 9. Selective adsorption for removing 

sulfur with oxidatively regenerable adsorbents 

for ultra clean fuels. C. Song, 

S. Watanabe, F. Sun, X. Ma 

3:05 10. Oxidative desulfurization of diesel 

fractions. A. Wang, X. Han, J. Zhang, 

X. Wang, X. Li, Y. Hu 


3:50 11. Insights into structure-sensitive reactions 

using model supported nanoparticle. 

S. M. McClure, M. Lundwall, 

D. W. Goodman 

4:20 12. Thermodynamics and kinetics of elementary 

steps in catalysis. 

C. T. Campbell 

4:50 13. Updating physisorption analyses 

for porous solids. W. C. Conner 

5:20 14. Lowering down the temperature 

synthesis of transition metal carbides: 

The case of niobium carbide. 

V. Teixeira da Silva, C. A. Chagas Jr. 


Section A 




C. Song, Organizer, Presiding 

C. Marshall, Presiding 


8:35 15. Applications of in situ spectroscopy 

to the study of catalyzed reactions. 

A. Bell 

9:05 16. Tailoring of surface chemical properties 

using electronic structure theory. 

J. K. Norskov 

9:35 17. Kinetic characterization of unsupported 

ReS 2 as hydrotreating catalyst. 

T. Ho, Q. Shen, J. McConnachie 


10:20 18. Role of nanatechnology in the development 

of new generations of catalysts 

for clean fuels production. 

H. Topsoe 

11:10 19. Atomic-scale insight into transition 

metal promotion and oxide supporteffects 

for MoS 2 and CoMoS nanoclusters 

in hydrotreating. J. V. Lauritsen, 

J. Kibsgaard, F. Besenbacher 

11:40 20. Developing HDS understanding 

based on real feed-stocks. 

T. V. Choudhary 


Section A 





K. Knudsen, S. Oyama, Presiding 


1:35 21. Water gas shift reaction over supported 

gold nanoparticles. D. Williams, 

M. Shekhar, V. Kispersky, W. Lee, S. Kim, 

F. Ribeiro, J. Miller, E. Stach, N. Delgass 

2:05 22. On the reaction mechanism of 

methanol synthesis and water-gas-shift 

on Cu. L. C. Grabow, M. Mavrikakis 

2:35 23. Fundamental study of the ring 

opening of different component classes 

in diesel fuels. K. G. Knudsen, 

R. G. Egeberg, D. D. Whitehurst 

3:05 24. Hydrogen spillover: Fact and fiction. 

R. Prins 


3:50 25. Solid nanoparticles to stabilize water-oil 

emulsions and catalyze reactions 

at the liquid/liquid interface. 

D. E. Resasco, J. Faria, S. S. Crossley, 

M. Shen 

4:20 26. Selective alkane oxidation using 

supported Pt(II) and Pt(IV) halides. 

C. L. Marshall, E. A. Mader, J. T. Miller 

4:50 27. Heteroatom-containing carbon 

nanostructures as oxygen reduction reaction 

catalysts for PEM fuel cells. 

D. von Deak, E. J. Biddinger, U. S. Ozkan 

5:20 28. Gold surfaces: The chemical 

benchtop of nucleophilic coupling-reactions. 

B. Xu, C. M. Friend, R. J. Madix, 

A. Wittstock, M. Baümer 




Hall C 

Sci-Mix 

K. Fjare, Organizer 

8:00–10:00 


31, 38, 47, 63, 64, 70, 79. See subsequent 

listings. 


(probationary), cosponsored by COLL, FUEL, 

and PETR 


Section A 



6th International Symposium on 

Hydrotreating/Hydrocracking Technologies 

Catalyst Preparation and Characterization 

O. Koseoglu, S. Nagamatsu, L. Kraus, 

Organizers 


8:35 29. Support effect in hydrodeoxygenation. 

D. Laurenti, D. Laurenti, 

C. Geantet 






consent from ACS.

9:15 30. Criterion CENTERA ® hydroprocessing 

catalysts: Improved active site 

architecture provides improved ULSD 

HDS activity. J. A. Smegal, T. T. Weber, 

L. S. Kraus 

9:45 31. High throughput experimentation 

as an efficient tool for the testing of hydroprocessing 

catalysts. J. Find, J. Berg, 

S. Vukojevic 


10:20 32. Investigations on 1-methyl naphthalene 

to (alkyl) benzene over surface 

modified USY zeolite. J. Park, 

J. Miyawaki, S. Yoon, I. Mochida 

10:40 33. Characteristics on HDS of gas oil 

over alumina-silica supports. J. Park, 

M. Yasudome, J. Miyawaki, S. Yoon, 

I. Mochida 

11:00 34. Origin of the versatile Brønsted 

acidity of amorphous silica-alumina used 

as catalytic support in hydrocracking. 

P. Raybaud, C. Chizallet 

11:20 35. Highly active nickel molybdate 

catalysts prepared for deep hydrodesulfurization 

of dibenzothiophene. C. Yin, 

D. Chen, S. Zhang, C. Liu 

11:40 36. Basic properties of supported 

transition metal sulfides: Combined DFT 

and infrared study. A. Travert, V. Ruaux, 

F. Maugé, J. Paul 

Section B 


Pacific Ballroom F 

Advances in Biomass Pyrolysis and 

Catalytic Upgrading 

S. Oyama, Organizer 

F. A. Agblevor, Organizer, Presiding 

9:00 37. Direct coupled catalytic upgrading 

of switchgrass pyrolysis bio-oil vapors. 

J. Peters, X. Zhang, T. Pham, 

A. Gangadharan, R. Galiasso, L. Lobban, 

D. Resasco, R. Mallinson 

9:30 38. Production of stable biomass pyrolysis 

oils using fractional catalytic 

pyrolysis. F. A. Agblevor, O. Mante, 

R. McClung, T. S. Oyama 

10:00 39. Understanding fast pyrolysis of 

lignin. P. R. Patwardhan, P. A. Johnston, 

R. C. Brown, B. H. Shanks 

10:30 40. Studies on heat transfer effects in 

the pyrolysis of thick wood particles using 

FT-IR imaging. M. Bahng, M. Jarvis, 

T. Haas, M. R. Nimlos, B. Donohoe 





Section A 





Catalyst Preparation and Characterization 

L. Kraus, O. Koseoglu, S. Nagamatsu, 

Organizers 

1:20 41. Effectiveness of metal organic 

frameworks for removal of refractory organosulfur 

compound present in liquid 

fuels. G. B. Brieva, J. M. Campos-Martin, 

S. Al-Zahranib, J. L. Fierro 

1:20 43. Optimization of dry catalyst impregnation 

in a double cone blender: An 

experimental and computational approach. 

F. S. Romanski,A.Dubey, 

A. W. Chester, M. Tomassone 

1:20 44. Effect of ZrSBA-15 support on hydrotreating 

catalytic functionalities of Mo, 

CoMo, and NiMo catalysts. 

M. D. Gudimella, K. K. Soni, S. Garg, 

M. Gnanamani, B. Thallada 

1:20 42. Development of zeolite based 

DMO/VGO hydrocracking catalyst. 

S. Tagawa, M. Ushio, J. Futigami, 

R. Kuroda, T. Kameoka, K. Nakano, 

T. Kagawa, O. R. Koseoglu, A. Al-Somali, 

A. Al-Hajji, A. Al-Abdulal, K. Al-Otaibi 

Section B 



Renewable Alternatives to Petroleum 

B. Anderson, Organizer 

R. Radhakrishnan, Organizer, Presiding 


1:35 45. Catalytic pyrolysis of cellulose. 

F. W. Atadana, F. A. Agblevor 

2:00 46. Pyrolysis of substituted anisoles. 

D. J. Robichaud, A. M. Scheer, 

C. Mukarakate, M. R. Nimlos, G. Ellison, 

H. Carstensen, M. W. Jarvis 

2:25 47. Mechanism of the thermal decomposition 

of furfural: Chemistry of biomass 

to biofuels. A. K. Vasiliou,M.R.Nimlos, 

G. Ellison, J. W. Daily 


3:05 48. Measurement of tar cracking kinetics 

in a jet-stirred tank reactor and plug 

flow reactor. M. W. Jarvis, 

C. Mukarakate, P. Pepiot, 

D. J. Robichaud, M. R. Nimlos 

3:30 49. Chemical kinetics and modeling of 

biomass gasification. M. R. Nimlos, 

P. Pepiot, D. J. Robichaud, M. W. Jarvis, 

K. R. Gaston 

Section A 





Non-Conventional Processes 

L. Kraus, O. Koseoglu, S. Nagamatsu, 

Organizers 

3:00 50. Effect of supercritical water on upgrading 

reaction of oil sand bitumen. 

M. Morimoto, Y. Sugimoto, Y. Saotome, 

S. Sato, T. Takanohashi 

3:20 51. Thermolytic solvent extraction of 

biomass to produce heavy oils in high 

yield with low oxygen contents. 

C. E. Snape, H. Deng, C. Uguna, 

W. Meredith 

4:00 52. Development of nano nickel-based 

sorbent for ultra-deep desulfurization of 

ultra low sulfur diesel for fuel cell applications. 

C. S. Shalaby, X. Ma, C. Song 

4:40 53. Desulfurization of fuel fractions on 

modified adsorbents. M. M. Sugungun, 

A. Fayomi, E. Umukoro 

5:20 54. Development of high-performance 

adsorbent via oxidation modification of 

activated carbon for adsorptive denitrogenation 

of liquid hydrocarbon streams. 

N. LI, X. Ma, Q. Zha, C. Song 


Section A 





Process Development 

O. Koseoglu, S. Nagamatsu, L. Kraus, 

Organizers 

8:30 55. Combined CoMo/NiMo catalyst 

system advantages in ULSD production, 

part I: Pilot plant studies. L. S. Kraus, 

P. J. Gripka 

9:00 56. Combined CoMo/NiMo catalyst 

system advantages in ULSD production, 

part II: Commercial experience. 

L. S. Kraus,P.J.Gripka 

9:30 57. Arab Light vacuum residue processing 

via high space velocity visbreaking 

and steam catalytic cracking. 

M. M. Fathi, P. Pereira Almao 

9:50 58. How does VGO HDS activity depend 

on feed boiling point? 

T. L. Jørgensen, R. G. Egeberg, 

K. G. Knudsen, A. Hidalgo-Vivas, 

P. Zeuthen 

10:10 59. Hydrotreating performance of 

novel catalyst on the support of Beta zeolite 

in-situ synthesis from kaolin clay. 

A. Duan, G. Wan, Y. Zhang, D. Zhang, 

Z. Zhao,R.Li 


10:45 60. Hydrotreating of gas oil on Ti- 

HMS supported heteropolyacid catalysts. 

K. K. Soni, P. E. Boahene, A. K. Dalai 

11:05 61. Direct production of gasoline and 

diesel from biomass using integrated hydropyrolysis 

and hydroconversion (IH 2 ). 

T. Marker, L. Felix, M. Linck, M. Roberts 

11:25 62. Impact of vaporization on catalyst 

deactivation in low pressure ultra-low sulfur 

diesel production. H. M. Sweers, 

M. Vichailak, L. S. Kraus 

Section B 


Brewster 

Renewable Alternatives to Petroleum 

R. Radhakrishnan, Organizer 

B. Anderson, Organizer, Presiding 

9:00 63. Technoeconomic analysis of thermochemical-based 

biorefineries for coproduction 

of hydrogen and electricity. 

R. Braun, L. Hanzon, J. Dean 


9:45 64. Energy efficient ultra-fast biofuel 

production using ZnO/ La 2O 2CO 3 heterogeneous 

catalyst. L. Jin, Y. Zhang, 

A. Espinal, J. Dombrowski, M. Lai, 

S. Suib 


Section A 



Chemistry of Petroleum and Emerging 

Technologies 

K. Fjare, Organizer, Presiding 


1:35 65. Upgrading refinery off-gas to highoctane 

alkylate. J. Young, M. Mukherjee, 

J. Nehlsen 

2:00 66. Electronic and steric effects in the 

ultrasound-assisted oxidative desulfurization. 

F. J. Schattenmann, 

D. L. Ramage, S. Hoy IV, N. J. Shurgott, 

D. J. Wintergrass 

2:25 67. Biodegradation of petroleum refinery 

sludge. A. Tewari,S.Guha 


3:05 68. Molecular orientation of PAH molecules 

and asphaltenes in Langmuir- 

Blodgett films using sum frequency generation 

spectroscopy. A. Andrews, 

A. McClelland, O. Korkeila, A. Krummel, 

A. Demidov, Z. Chen 

3:30 69. Molecular Dynamics simulations of 

aromatic hydrocarbon combustion via the 

ReaxFF reactive force field. M. F. Russo, 

A. C. van Duin 

3:55 70. Decoupled rotation and translation 

across molecule sizes and polarities in a 

model bitumen. M. Greenfield 


Hall C 

Poster Session 

K. Fjare, Organizer 

2:00–4:00 

71. Quality testing of biodiesel and its blends 

with petroleum diesel as an alternative 

“Green” fuel according to ASTM methodologies. 

C. R. Perkins, J. D. Stuart, 

R. S. Parnas, A. A. Provatas 

72. Development of Innovation DME process 

from natural gas and biomass in Korea. 

W. Cho, T. Song, Y. Baek, S. Kim 

73. Deactivation mechanism of ZSM-5 during 

catalytic steam cracking of n-hexane. 

A. Yamaguchi, D. Jin, T. Ikeda, K. Sato, 

N. Hiyoshi, T. Inoue, M. Shirai, 

F. Mizukami, T. Hanaoka 

74. Screening and identifying of flocculantproducing 

strain and study on optimization 

of fermentation conditions. w. wu, 

D. Zhao, Y. Zhang, Q. Liu 

75. Study of a membrane reactor for 1-butanol 

production. S. Li, T. Williams, 

R. Srivastava, R. S. Parnas 

76. Investigation into the relationship between 

the gravity vector and the flow vector 

to enhance separation of coproduct 

glycerol in two-phase continuous flow 

biodiesel reactor. A. A. Midgette, 

S. A. Unker, M. B. Boucher, K. R. Hawley, 

J. D. Stuart, R. S. Parnas 


Section A 



Chemistry of Petroleum and Emerging 

Technologies 

K. Fjare, Organizer, Presiding 

9:00 77. Phase behavior of polycyclic aromatic 

hydrocarbon mixtures: Eutectic formation, 

deviation from Raoult’s law, and 

solid azeotropy. J. W. Rice,J.Fu, 

E. M. Suuberg 

9:25 78. Investigation of fouling propensity 

of different crudes and gas oils. 

P. Rahimi, Z. Fan, T. Alem 


10:05 79. Micro-ESR: Online measurement 

of asphaltene and vanadium in crude oil. 

J. White, P. Giammatteo 

10:30 80. Investigation on the aggregation 

of asphaltene molecules. d. liu,M.Li, 

T. Hou, W. Jiang, B. Han, H. Sun 

Catalyst for Energy Storage Sponsored by 

CATL (probationary), Cosponsored by FUEL 

and PETR 

PHYS 

Division of Physical 

Chemistry 

M. Johnson, Program Chair 


ACS Award in Analytical Chemistry: 

Symposium in Honor of Richard Van 

Duyne (see ANYL, Mon) 

Frank H. Field and Joe L. Franklin 

Award for Outstanding Achievement 

in Mass Spectrometry: Symposium in 

Honor of Catherine Costello (see 

ANYL, Tue) 

Frontiers of Condensed Phase 

Theory and Simulation: A Tribute to 

Bruce J. Berne (see COMP, Sun) 

Waters: Feisty Little Molecules (see 

COMP, Mon) 

PETR/PHYS 


(see FUEL, Tue) 


Environmental Processes (see ENVR, 

Sun) 





TECH–99

PHYS TECHNICAL PROGRAM 


PHYS Division/Journal of Physical 

Chemistry Letters Reception, 5:30 

PM: Tue 


Section E 


Room 106 


Purpose Graphics Processing Units 

(GP-GPUs) 

GPU Computing in Chemistry Cosponsored 

by COMP 

J. D. Madura, V. Kindratenko, Organizers 

T. Dunning, Presiding 


8:05 1. New programming tools for improved 

development productivity in GPU 

computing. W. W. Hwu 

8:45 2. OpenCL: Molecular modeling on heterogeneous 

computing systems. 

J. E. Stone 


9:40 3. Acceleration of implicit solvent electrostatics 

with charge coarse-graining on 

GPUs. A. V. Onufriev 

10:20 4. (Really) Fast macromolecular electrostatics: 

Fast algorithms, open source 

software, and GPU computing. 

J. P. Bardhan, R. Yokota, M. G. Knepley, 

L. A. Barba 

10:40 5. Solving the many-body field equations 

of a point induced dipole potential 

on graphics processing units. J. L. Belof, 

B. Space 

11:00 6. Biomolecular simulations in heterogeneous 

computing architectures. 

S. Hampton, P. Agarwal 

11:20 7. GPU architecture and applications 

of GPU-enabled computing. D. Poole 

Section G 


Room 107A 

PHYS Undergraduate Workshop 

M. Johnson, Organizer 

W. Polik, Organizer, Presiding 

8:00 8. How a national ACS meeting works. 

W. F. Polik 

8:20 9. Electrons in biomolecules. 

J. P. Simons 

8:50 10. Metals in biology. A. Palmer 


9:35 11. Solar energy conversion and storage. 

V. S. Batista 

10:05 12. Hydrates, heterogeneous chemistry, 

aerosols and climate. S. S. Brown 


10:50 13. Challenges for density functional 

theory. W. Yang 

11:20 14. Spectrochemical analysis. 

B. H. Pate 


Section A 


Room 104C 

Electrons in Bio-Molecules 

Electron Attachment and Electron Transfer 

in DNA 

J. Simons, Organizer 

J. Weber, Organizer, Presiding 



100–TECH 

8:20 15. Mechanisms of low energy electron 

(LEE) damage to DNA: From vacuum to 

cellular environment. L. Sanche 

9:00 16. Anion radical excited states from 

low energy electron addition: DNA strand 

break formation. M. D. Sevilla,A.Kumar 

9:40 17. Ab initio study of the elementary 

steps of electron transfer in DNA. 

E. Cauët, M. Rooman, R. Wintjens, 

J. Liévin 


10:20 18. Lesions in DNA subunits: Foundational 

studies of molecular structures and 

energetics. H. F. Schaefer 

11:00 19. Low-energy electron interactions 

with hydrated DNA and complex biological 

targets. T. M. Orlando 

11:40 20. Shedding a new light on photolyases: 

Accurate molecular modeling as a 

tool for undestanding DNA repairing enzymes. 

M. Stenta, M. Dal Peraro, 

M. Garavelli, P. Altoè, M. Di Domenico, 

A. Bottoni 

Section B 


Room 104B 

Molecular Systems for Efficient Solar 

Energy Conversion and Storage 

C. Schmuttenmaer, Organizer 

V. Batista, Organizer, Presiding 

8:20 21. Nanostructured materials for solar 

energy conversion: The primary steps for 

light to charge. V. Sundstrom 

9:00 22. Ultrafast and not so fast spectroscopy 

to demystify the flavine photocatalysis 

of benzyl alcohol oxidation. 

E. Riedle, U. Megerle, M. Wenninger, 

R. Lechner, R. Kutta, B. Dick, B. König 

9:40 23. Electrochemical and photoelectrochemical 

processes in CdSe nanocrystals 

tethered to self-assembled monolayers 

and conductive polymers on indiumtin 

oxide. Z. O. Araci, C. R. Shallcross, 

N. R. Armstrong, S. Saavedra 


10:20 24. Modulating interparticle charge 

transfer in quantum dot solar cells. 

P. V. Kamat,K.Tvrdy 

11:00 25. Energy transport in �-conjugated 

dendritic macromolecules and polyelectrolytes. 

V. D. Kleiman 


Pb-chalcogenide dimer structures. 

B. K. Hughes, J. L. Blackburn, 

A. J. Nozik, J. M. Luther, O. E. Semonin, 

A. G. Midgett, D. K. Smith, M. C. Beard 

Section D 


Room 107B 

Physical Chemistry of Hydrates, Interfaces, 

and Aerosols and their Relationship to the 

Climate System 

S. Brown, Organizer 

V. Vaida, Organizer, Presiding 

8:20 27. Physical chemistry and climate: 

Molecules and photons to meteorology 

via maximization of entropy production 

and scale invariance. A. Tuck 

9:00 28. Formation of ammonium-water 

aerosols and water clusters and their atmospheric 

implications. G. C. Shields, 

B. Temelso, K. A. Archer, R. M. Shields, 

T. E. Morrell 

9:20 29. Spectroscopic signatures of acid 

dissociation in water clusters. 

S. S. Xantheas 


10:20 30. Water dimer equilibrium constant 

from first-principles calculations. 

C. Leforestier, K. Szalewicz, 

A. van der Avoird 

11:00 31. Direct observation of the dynamics 

of carbonic acid/bicarbonate buffer in 

aqueous environment. K. Adamczyk, 

M. Prémont-Schwarz, D. Pines, 

E. T. Nibbering, E. Pines 

11:20 32. Calculated vibrational and electronic 

spectra of hydrated complexes. 

H. G. Kjaergaard 

Section C 


Room 105 

Challenges for Density Functional Theory 

W. Yang, Organizer 

X. Li, Organizer, Presiding 


8:40 33. Density functional theory and the 

persistence of chemistry. J. P. Perdew, 

L. A. Constantin, K. Burke 

9:10 34. Deconstructing density functional 

theory and approximations. K. Burke, 

A. Cangi, P. Elliott, D. Lee 

9:40 35. Discontinuous nature of the exchange-correlation 

functional: The key for 

strongly correlated systems. 

P. Mori-Sánchez, A. J. Cohen, W. Yang 

10:10 36. Performance of ab initio and density 

functional methods for conformational 

equilibria of CnH2n�2 alkane isomers: 

A surprisingly difficult 

computational target. J. M. Martin 


10:45 37. On basic variational principles in 

density-functional theory. M. P. Levy 

11:15 38. Construction of integrable model 

Kohn-Sham potentials. V. N. Staroverov 

11:45 39. Using electronic structure theory 

to understand the interaction of Lithium 

with polycyclic aromatic hydrocarbons: 

Problems with density functional theory 

due to self-interaction and delocalization. 

T. A. Baker, M. Head-Gordon 



Molecular Dynamics and Monte Carlo- 

Models and Algorithms Sponsored by 

COMP, Cosponsored by PHYS 









Section A 


Room 104C 


Excited States, Dynamics and Charge 

Transfer 

J. Weber, J. Simons, Organizers 

L. Slipchenko, Presiding 

1:30 40. Photochemistry of small DNA fragments 

via semiclassical nonadiabatic dynamics. 

A. Alexandrova, J. Tully, 

G. Granucci 

2:10 41. Decay pathways for long-lived excited 

states in DNA. B. Kohler, 

K. de La Harpe 

2:50 42. Conductivity of DNA duplexes 

bridging a single walled carbon nanotube 

gap. A. A. Gorodetsky,H.Wang, 

N. Muren, J. K. Barton, C. Nuckolls 


3:30 43. Excited states of DNA, from dimers 

to oligomers: Results from some new 

quantum-chemical methods. 

J. M. Herbert 

4:10 44. Cooperative effect in the electronic 

properties DNA oligomers. T. Z. Markus, 

S. S. Daube, R. Naaman 

4:50 45. An electron hops along �-helix over 

100 Å. T. Morita, Y. Arikuma, 

H. Nakayama, S. Kimura 

Section B 


Room 104B 



C. Schmuttenmaer, V. Batista, Organizers 

L. Chen, Presiding 

1:30 46. Integrating photoconversion building 

blocks with catalysts for solar fuels 

formation. M. R. Wasielewski, 

A. P. Samuel, D. T. Co, C. L. Stern 

2:10 47. Molecules for singlet fission. 

J. C. Johnson, Z. Havlas, A. Akdag, 

M. B. Smith, B. R. Stepp, J. Michl 

2:50 48. Ultrafast charge separation in a ruthenium 

polypyridyl complex with a 

�-conjugated ligand. J. D. Henrich, 

P. K. Dutta, B. Kohler 


3:30 49. Electron transfer in molecular dyads 

and tetrads. A. C. Benniston 

4:10 50. Enhanced effects in useful light 

harvesting organic systems and assemblies. 

T. Goodson 

4:50 51. Organic photovoltaic cells from 

contorted hexabenzocoronenes. 

A. A. Gorodetsky, C. Chiu, T. Schiros, 

Z. Bullard, M. Palma, M. Cox, I. Kymissis, 

C. Nuckolls 

Section C 


Room 105 


W. Yang, X. Li, Organizers 

P. Mori Sánchez, Presiding 

1:30 52. Density functional theory for kinetics, 

catalysis, and organometallic complexes. 

D. G. Truhlar 

2:00 53. RPA for correlation: Promise and 

challenges. F. U. Furche, H. Eshuis 

2:30 54. Spin-adapted open-shell RPA and 

TDDFT. Z. Li, W. Liu 

3:00 55. Nonlocal density functionals for 

treating long-range correlations. 

O. A. Vydrov, T. Van Voorhis 


3:35 56. Density functionals for weak and 

strong correlations. M. Head-Gordon 

4:05 57. Non-local exchange-correlation 

functionals targeting long-range electron 

correlation. P. W. Ayers 

4:35 58. Improving band gap prediction by 

density functional theory: From atoms to 

solids. X. Zheng, A. J. Cohen, 

P. Mori-Sánchez, W. Yang 

Section D 


Room 107B 




S. Brown, V. Vaida, Organizers 

H. Kjaergaard, Presiding 

1:30 59. Influence of water on radical-molecular 

reactions on aerosol surfaces: 

Perspective from a study of water atmosphere 

surface reaction models. 

R. J. Buszek, J. S. Francisco 






consent from ACS.

2:10 60. Radical-molecule complexes: A 

computational and experimental study of 

their structures, thermodynamics and reactivity. 

J. C. Hansen, J. Clark, S. T. Call, 

D. Austin 

2:30 61. Association reactions of hydroxyl 

radicals with atmospheric species. 

M. I. Lester 

3:10 62. OH-initiated oxidation of volatile organic 

compounds: OH � ethene. 

L. J. Butler, B. J. Ratliff, C. C. Womack, 

B. W. Alligood, D. E. Szpunar, J. J. Lin, 

S. Lee 


3:50 63. Chemical reactions at water and ice 

surfaces: Models and dynamics simulations. 

B. R. Gerber 

4:30 64. Properties of the ice surface from 

quantum molecular dynamics simulations. 

F. Paesani 

4:50 65. Spectroscopic probes of ice surfaces, 

clathrate hydrates, and aqueous 

clusters. M. Shultz, P. Bisson, T. Vu 

Section E 


Room 106 



(GP-GPUs) 

Molecular Dynamics on GPUs Cosponsored 

by COMP 

V. Kindratenko, Organizer 

J. D. Madura, Organizer, Presiding 

1:30 66. OpenMM � Folding@home: GPU 

molecular dynamics for protein folding on 

the millisecond timescale in all-atom detail. 

V. Pande 

2:10 67. Graphical processing unit acceleration 

of coarse grained molecular dynamics 

and data analysis. D. N. LeBard, 

B. G. Levine, R. DeVane, W. Shinoda, 

J. E. Stone, A. Kohlmeyer, K. L. Michael 

2:50 68. DL_POLY 3: Hybrid CUDA/ 

OpenMP porting of the non-bonded 

force-field for two-body systems. 

C. Kartsaklis, I. Todorov, W. Smith 


3:30 69. Multiscaling and coarse grained 

models using molecular dynamics on 

GPUs: The perfect marriage. 

A. Travesset 

4:10 70. Adapting AMBER particle mesh 

Ewald and generalized Born molecular 

dynamics to GPUs. S. Le Grand 


5:10 72. Pretty Fast Analysis: A software 

suite for analyzing large scale simulations 

on supercomputers and GPU clusters. 

D. N. LeBard 

Section G 


Room 107A 

Physical Chemistry of Spectrochemical 

Analysis 

B. Pate, Organizer 

K. Lehmann, Organizer, Presiding 


1:35 73. Stimulated Raman scattering microscopy. 

S. Xie, W. Min, B. Saar, 

C. Freudiger 

2:15 74. Surface enhanced spectroscopy: 

From single molecules to non-linear optics. 

J. Camden 

2:55 75. 2D cell membrane profiling through 

ratiometric silver plasmon ruler tracking. 

B. M. Reinhard 


3:30 76. Nonlinear vibrational microscopy of 

cellulose fibers. E. O. Potma 

4:10 77. Excited state dynamics of solutionphase 

photosynthetic antenna proteins 

studied one at a time. R. Goldsmith 

4:30 78. New insights on HIV-1 nucleocapsid 

protein as a DNA-bending protein: A 

single-molecule spectroscopic study. 

H. Wang, C. Falk, P. F. Barbara 

4:50 79. Predicting the frequency dispersion 

of electronic hyperpolarizabilities based 

on absorption data and Thomas-Kuhn 

sum rules. X. Hu, W. Yang, D. N. Beratan 



Hydrophobic Effect and Solvation 

Phenomena Sponsored by COMP, 






Section D 


Room 107B 





J. Hansen, Presiding 

8:00 80. Shape dependence of water cluster-mediated 

reactions relevant to the upper 

atmosphere. M. A. Johnson 

8:40 81. Probing conformation changes and 

isomeric populations of complex anions 

solvation using low-temperature photoelectron 

spectroscopy. X. Wang 

9:00 82. Reactions of organic acids with 

protonated water clusters: Implications of 

cluster growth in the atmosphere. 

A. W. Castleman, E. G. Goken 

9:40 83. Implementation of dynamical nucleation 

theory effective fragment potentials 

(DNTEFP) method for modeling aerosol 

chemistry. A. Devarajan, 

T. L. Windus, M. S. Gordon 


10:20 84. Vapor-to-particle nucleation: A 

molecular perspective. B. C. Garrett, 

S. M. Kathmann, G. K. Schenter 

11:00 85. Equilibrium properties of aqueous 

electrolytes within narrow slit-shaped silica 

pores: Molecular dynamics simulation 

results to design separation strategies. 

D. Argyris, T. A. Ho, A. Striolo 

11:20 86. Adsorption of ions to aqueous interfaces 

and their effects on evaporation 

rates. D. E. Otten, R. M. Onorato, 

W. S. Drisdell, R. C. Cohen, 

R. J. Saykally 

Section E 


Room 106 



(GP-GPUs) 

Electronic Structure Calculations on GPUs 


J. D. Madura, V. Kindratenko, Organizers 

T. Martinez, Presiding 

8:00 87. Electronic structure calculations on 

graphical processing units. 

M. S. Gordon, T. L. Windus, B. M. Bode, 

J. Felder, A. Asadchev, V. Allada 

8:40 88. Quantum chemistry and ab initio 

molecular dynamics on graphical processing 

units (GPUs). I. S. Ufimtsev, 

T. J. Martinez 

9:20 89. Calculating molecular integrals of d 

and higher angular momentum functions 

on GPUs. A. V. Titov, I. Ufimtsev, 

T. Martinez, T. H. Dunning, Jr. 


10:00 90. Graphics processing units (GPU) 

for correlated quantum chemistry calculations. 


10:40 91. Liouville-von Neumann dynamics 

on GPU. J. Jakowski, K. Morokuma 

11:00 92. GPU-accelerated variational path 

integral Monte Carlo simulations. 

R. J. Hinde, R. Harrison, G. Peterson, 

V. Kakani, S. Mudhasani 

11:20 93. Full acceleration of quantum 

Monte Carlo simulations on GPU clusters. 

K. Esler, J. Kim, D. Ceperley 

11:40 94. Efficient pseudo-random number 

generators for biomolecular simulations 

on graphics processors. V. A. Barsegov 

Section A 


Room 104C 


Electron Transfer and Bond Cleavage 


J. Herbert, Presiding 

8:20 95. Conformationally-coupled charge 

transfer in biomolecules. D. N. Beratan 

9:00 96. Electron interaction with biomolecules 

in the gas phase and embedded in 

superfluid helium droplets. V. Vizcaino, 

S. Denifl, T. D. Märk, P. Scheier 

9:40 97. Charge-transfer excitations in proteins. 

J. D. Hirst 


10:20 98. Primary information on DNA oxidative 

damage: Photoelectron spectroscopy 

of nucleotides in a fully aqueous environment. 

S. E. Bradforth, 

C. Schroeder, W. Schroeder, R. Seidel, 

M. Faubel, B. Winter 

11:00 99. Modeling of anions of biological 

molecules. M. Gutowski,S.Ling, 

M. Haranczyk 

11:40 100. Electronic structure and exciton 

coupling in prototypical bichromophores. 

L. V. Slipchenko 

Section B 


Room 104B 




V. D. Kleiman, Presiding 

8:20 101. Controlling coupled electron 

transfers in artifical photosynthesis for 

solar fuel production. L. Hammarstrom 

9:00 102. TiO 2 photocatalysis: New approaches. 

A. Fujishima 

9:40 103. Structure and organization of photosynthetic 

antenna complexes for efficient 

excitation energy transfer. 

S. A. Kovács, W. P. Bricker, K. W. Leung, 

C. S. Lo 


10:20 104. Molecular snapshot in solar energy 

conversion processes. L. X. Chen, 

J. V. Lockard, A. B. Stickrath, X. Zhang, 

M. W. Mara, K. Attenkofer 

11:00 105. Proton-coupled electron transfer 

in solar energy conversion. 

S. Hammes-Schiffer 

11:40 106. Vernier template directed synthesis 

of giant nanorings. 

M. C. O’Sullivan, J. K. Sprafke, 

H. L. Anderson 

Section G 


Room 107A 


Analysis 

K. Lehmann, Organizer 

B. Pate, Organizer, Presiding 

8:25 107. Chirped-pulse Fourier transform 

spectroscopy in the THz region. 

K. O. Douglass, E. Gerecht, 

D. F. Plusquellic 

9:05 108. Development of 2D spectroscopic 

techniques for rotational spectroscopy. 

B. Dian 

9:45 109. Rydberg fingerprint spectroscopy 

for spectrochemical analysis. 

J. D. Geiser, E. M. Minogue, M. P. Minitti, 

P. M. Weber 


10:20 110. Chemical imaging of “sparse” 

systems: Characterizing both physical 

and chemical properties. N. Lewis, 

J. Dubois, L. Kidder, K. Haber 

11:00 111. Laser initiated, metal cation assisted, 

dissociation of organic molecules. 

D. J. Bellert, I. E. Laboren, O. J. Villarroel 

11:20 112. Novel computational method for 

comparing vibrational circular dichroism 

spectra. J. Shen 

11:40 113. Site-specific and vibrational coupling 

effects on IR spectra of adsorbed 

CO on Pt clusters characterized by DFT 

and classical electrostatics. 

E. S. Smotkin, M. K. Fuccillo, N. Dimakis 

Section H 


Room 103 

Metals in Biology 

Bioinspired Inorganic Synthesis 

A. Palmer, Organizer 

T. Brunold, Presiding 


9:20 114. Modeling the CUz site in nitrous 

oxide reductase: Synthesis and properties 

of copper-sulfur complexes. 

W. B. Tolman 


10:00 115. Heme-copper dioxygen reactivity 

to heme-copper oxidases. K. D. Karlin 


10:40 116. Synthetic mono- and diiron complexes 

as models for high-valent intermediates 

of nonheme iron oxygenases. 

L. Que, Jr 


11:20 117. Bio-inspired approaches to activate 

dioxygen using nickel complexes. 

C. G. Riordan 




Quantum Effects in Thermodynamics and 

Dynamics Sponsored by COMP, 





PHYS 


Section A 


Room 104C 


Spectroscopic Probes of Structure and 

Dynamics 


A. Alexandrova, Presiding 





PHYS 

TECH–101


1:30 118. Electronic spectroscopy of nucleic 

acids in the gas phase. V. Gabelica, 

F. Rosu, L. Joly, E. De Pauw, K. Matheis, 

M. M. Kappes, A. Giuliani, 

A. Milosavljevic, M. Refregiers, L. Nahon, 

R. Antoine, P. Dugourd 

2:10 119. Ultraviolet photodissociation of 

mononucleotides from cradle to grave. 

J. C. Marcum,J.M.Weber 

2:50 120. Electron photo-detachment experiments 

and UV spectroscopy of entire 

proteins in the gas phase. P. Dugourd 


3:30 121. Protein conformational dynamics 

probed by fluorescence quenching reactions. 

J. H. Parks,X.Shi 

4:10 122. Electrophilic properties of isolated 

biological molecules: Anion photoelectron 

spectroscopic studies. K. Bowen 

Section B 


Room 104B 




T. Goodson, Presiding 

1:30 123. Progress toward solar water splitting 

in the Yale Solar Group. G. Brudvig, 

V. Batista, C. Schmuttenmaer, 

R. Crabtree 

2:10 124. Efficient light-driven water oxidation 

by sensitizer-carbon-free catalyst 

systems. C. L. Hill, Y. V. Geletii, 

Z. Huang, Q. Yin, Y. Hou, D. G. Musaev, 

T. Lian 

2:50 125. Water oxidation as the electronproton 

source in artificial photosynthetic 

devices. J. J. Concepcion, Z. Chen, 

M. R. Norris, C. R. Glasson, W. Song, 

M. K. Brennaman, J. L. Templeton, 

T. J. Meyer 


3:30 126. Light driven generation of hydrogen 

from water: New developments, new 

strategies and new results. R. Eisenberg 

4:10 127. Light-driven oxidation of water 

aiming for solar fuel production. 

M. Anderlund 

4:50 128. Macrocyclic cobalt complexes as 

electrocatalysts for clean and sustainable 

energy. B. D. Stubbert, 

B. S. Brunschwig, J. R. Winkler, 

H. B. Gray 

Section C 


Room 105 



A. Vela, Presiding 

1:30 129. Strategies for meeting challenges 

to DFT: Recent applications. 

W. A. Goddard 

2:00 130. Partition potentials and delocalization 

error in density functional theory. 

A. Wasserman 

2:30 131. Density-based energy decomposition 

analysis. Q. Wu, P. Ayers, Y. Zhang 

3:00 132. Towards frozen-density embedding 

for subsystems connected by covalent 

bonds. C. R. Jacob 


3:35 133. Comparison of oscillator strengths 

calculated by time dependent density 

functional theory (TD-DFT) and wavefunction 

methods. B. T. Psciuk, 

M. M. Allard, J. A. Sonk, S. K. Lee, 

J. F. Endicott, H. B. Schlegel 

4:05 134. Time-dependent phase-spacedensity 

functional theory: A semiclassical 

approach. N. T. Maitra 


102–TECH 

4:35 135. Accurate binding curves in transition-metal 

molecules using a DFT�U(R) 

approach. H. J. Kulik, N. Marzari 

Section D 


Room 107B 





A. Bertram, Presiding 

1:30 136. Chirality in the climate system. 

F. M. Geiger 

2:10 137. Surface interactions and their role 

in the uptake and reactivity of atmospheric 

gases to environmentally relevant 

aqueous solutions. S. T. Ota, 

G. L. Richmond 

2:30 138. Surfactant control of gas transport 

and reactions at the surface of sulfuric 

acid. D. K. Burden, A. M. Johnson, 

G. M. Nathanson 

3:10 139. Collision dynamics as a probe of 

interfacial structure. C. Waring, 

P. A. Bagot, M. L. Costen, 

K. G. McKendrick 


3:50 140. Interfacial chemistry and climate. 

V. H. Grassian 

4:30 141. Second harmonic generation 

spectroscopic investigations of NO x 

compounds at the air/water interface. 

E. A. Raymond, P. V. Johnston, 

P. E. Teichen 

4:50 142. First principles molecular dynamics 

simulations of ion adsorption and acid-base 

chemistry at the air-water interface. 

D. J. Tobias 

Section E 


Room 106 



(GP-GPUs) 

GPU Computing in Chemistry Cosponsored 

by COMP 

J. D. Madura, Organizer 

V. Kindratenko, Organizer, Presiding 

1:30 143. Quantum reactive scattering calculations 

in GPU and mixed GPU-CPU 

environments. K. Linehan, 

M. H. Alexander, D. P. O’Leary 

2:10 144. Stability of molecular dynamics on 

GPUs: Is your card better than mine? 

O. Isayev 

2:30 145. GPUs: Concerns of a professional 

software developer. B. Cole, B. Tolbert, 

A. Nicholls 

2:50 146. Computer-based entropy estimation: 

Application to model cavity-ligand 

recognition and binding. R. Baron 


Section G 


Room 107A 


Analysis 

B. Pate, K. Lehmann, Organizers 

J. Camden, Presiding 

1:30 147. SERS approach for bacterial diagnostics. 

L. Ziegler 

2:10 148. Coherant Raman scattering spectroscopy 

in biological imaging and biosensing 

applications. J. Ogilvie, 

B. Bachler, M. Cui, S. Nichols 

2:50 149. Phonon dynamics imaging of carbon 

nanotubes and graphene using 

broadband time-resolved CARS microscopy. 

Y. J. Lee, S. H. Parekh, J. A. Fagan 


3:25 150. Optical imaging and control of 

electrical spikes in single bacteria. 

J. M. Kralj, D. R. Hochbaum, A. E. Cohen 

4:05 151. Silver-alkenethiol interaction monitored 

by localized surface plasmon resonance. 

K. Kalkan,R.Ede 

4:25 152. Cation selective conformational 

preferences in thrombin binding aptamer: 

Steady state Förster resonance energy 

transfer approach. C. K. Nandi, 

C. Hayden, H. Yang 

4:45 153. Developing a novel scanning imaging 

technique for magnetic particles in 

bioanalytical chemistry. L. Yao,S.Xu 

Section H 


Room 103 


Techniques for Monitoring Cellular Metals 

A. Palmer, Organizer, Presiding 


1:35 154. Novel sensors for mobile zinc and 

selected biological applications. 

S. Lippard 


2:15 155. Metallo-DNAzymesas a new class 

of fluorescent, colorimetric and MRI 

metal ion sensors. Y. Lu 


2:55 156. Biophysical probes of iron metabolism 

in eukaryotic cells. P. A. Lindahl 


3:35 157. Dynamic imaging of trace metals 

by optical and X-ray fluorescence microscopy. 

C. J. Fahrni 


4:15 158. Photoinduced electron transfer in 

small-molecule fluorescent sensors: A 

computational investigation. 

T. Kowalczyk, C. Lin, T. Van Voorhis 


4:35 159. Corrinoid iron-sulfur protein 

methyl transferase complexes studied by 

solution small-angle X-ray scattering. 

N. Ando, Y. Kung, G. Bender, 

S. W. Ragsdale, C. L. Drennan 


4:55 160. Single-molecule FRET studies of 

zinc(II) cytochrome c folding. A. J. Lee, 

K. L. Bren, T. D. Krauss 




Thermodynamics and Dynamics of 

Complex Systems Sponsored by COMP, 



Physical Chemistry Sponsored by CHED, 

Cosponsored by PHYS and SOCED 


Section I 


Hall C 

Sci-Mix 


8:00–10:00 

327, 334, 335, 336, 367, 368, 378, 383, 387, 

396, 397, 409, 410, 468, 469, 470, 471, 

472, 473, 476, 481, 511, 523, 538, 539, 

625, 626, 631. See subsequent listings. 


Section D 


Room 107B 





J. Thornton, Presiding 

8:00 161. Uptake and release of trace gases 

by reaction at seawater and ice surfaces. 

J. Donaldson 

8:40 162. Towards a more quantitative understanding 

of the marine organic nanolayer. 

G. Friedrichs 

9:00 163. Photoinduced aging of tropospheric 

aerosols: What is more important 

UV or visible light? C. George, 

B. D’Anna, M. Monge, R. Ammar, 

T. Rosenoern 

9:40 164. Photochemistry laboratory studies 

of �-keto-carboxylic acids in water and 

ice. M. I. Guzman,A.G.Rincon, 

M. R. Hoffmann, A. J. Colussi 


10:20 165. Freezing of supercooled water 

nanodroplets. B. E. Wyslouzil, A. Manka, 

J. Wölk, R. Strey 

11:00 166. Measurement of heterogeneous 

ice nucleation rates in supercooled water 

using a high-throughput microfluidic apparatus. 

C. A. Stan,B.J.Wiley, 

G. F. Schneider, M. Ibanescu, 


11:20 167. Laboratory studies of ice nucleation 

on mineral dust and biological particles. 

D. Chernoff, M. L. Eastwood, 

M. Wheeler, R. Iannone, E. Girard, 

A. K. Bertram 

Section H 


Room 103 


Structure-Function Connections 



8:20 168. Anatomy of a radical enzyme. 

C. Drennan 


9:00 169. Single-molecule dynamics of 

metal regulators and transporters. 

P. Chen 


9:40 170. Diiron monooxygenases catalyze 

the oxidation of hydrocarbons including 

methane, toluene, and other compounds. 

B. Fox 


10:20 171. Recent developments and uses 

of theoretical spectrosocopy in bioinorganic 

chemistry. F. Neese 


11:00 172. Insights into copper coordination 

and copper-dioxygen reactivity of 

�–synuclein. H. R. Lucas, 

S. Debeer George, J. C. Lee 


11:20 173. Examining the structure-function 

relationship in bacterial cytochrome c 

peroxidase using protein film voltammetry. 

C. F. Becker, S. J. Elliott, 

N. J. Watmough 







consent from ACS.

11:40 174. Crystal structure of a metalloenzyme 

complex involved in bacterial acetogenesis. 

Y. Kung,N.Ando, 

T. I. Doukov, L. C. Blasiak, G. Bender, 

S. W. Ragsdale, C. L. Drennan 


Section A 


Room 104C 


Spectroscopic Probes of Structure and 

Dynamics 


S. Brøndsted Nielsen, Presiding 

8:20 175. Molecular and electronic structures 

of few open-shell or closed-shell 

biomolecular anions. C. Desfrançois, 

J. Poully, F. Lecomte, J. Schermann, 

G. Grégoire, X. Li, H. Wang, K. H. Bowen 

9:00 176. Fragmentation mechanisms of 

electronically excited peptides in a cold 

ion trap. M. Guidi, J. A. Stearns, 

O. V. Boyarkin, T. R. Rizzo 

9:40 177. Quantum nonadiabatic dynamics 

with perturbative treatment of vibrational 

relaxation. A. F. Izmaylov, J. C. Tully, 

M. J. Frisch 


10:20 178. Single conformation spectroscopy 

and isomerization of synthetic 

foldamers and crown macrocycles. 

T. S. Zwier, W. H. James III, 

E. G. Buchanan, S. H. Gellman, L. Guo 

11:00 179. Solvatochromism in the gas 

phase. A. J. Fleisher, P. J. Morgan, 

D. W. Pratt 

11:40 180. Ultrafast excited state molecular 

dynamics of rhodopsin, bathorhodopsin 

and isorhodopsin. I. Schapiro, 

M. Olivucci 

Section B 


Room 104B 




M. Anderlund, Presiding 

8:20 181. Plasmon enhanced dye-sensitized 

solar cells: Current status and multiscale 

modeling. G. C. Schatz 

9:00 182. Capped and strapped Zn(II) tetraphenyl 

porphyrins as sensitizing dyes for 

TiO 2. E. Galoppini, C. Lee, K. Chitre 

9:40 183. Single crystals of functionalized 

nanoparticles as a medium for structural 

and spectroscopic studies of photosensitizer 

dyes on semiconductor surfaces. 

J. B. Benedict, P. Coppens 


10:20 184. Nanoparticle based Raman dyes 

and chemical mechanism of enhancement. 

S. J. Hurst, H. C. Fry, 

D. J. Gosztola, T. Rajh 

11:00 185. Active photochemical control in 

complex systems for solar energy conversion. 

N. H. Damrauer 

11:40 186. High-density charge carrier injection 

into organic and polymer semiconductors. 

L. G. Kaake,X.Zhu 

Section G 


Room 107A 


Analysis 


D. Plusquellic, Presiding 

8:25 187. Transient optical spectroscopy for 

chemical dynamics with fully tunable excitation, 

two octaves of probe coverage 

and spanning the range from tens of femtoseconds 

to milliseconds. E. Riedle 

9:05 188. Mid-infrared frequency comb upconversion 

spectroscopy. 

S. K. Diddams, T. Johnson, 

L. Nugent-Glandorf 

9:45 189. Real-time mapping of electronic 

structure with single-shot 2D photonecho 

electronic spectroscopy. E. Harel, 

A. F. Fidler, G. S. Engel 


10:20 190. Fourier transform spectrometry 

with a near infrared supercontinuum 

source. P. M. Chu, C. A. Michaels, 

T. Masiello 

11:00 191. Broadband coherent spectroscopy 

in the near infrared using dual coherent 

frequency combs. N. R. Newbury, 

I. Coddington, E. Baumann, F. Giorgetta, 

W. C. Swann, A. Zolot 

11:40 192. Resonance enhanced two photon 

ionization of group VIII transition 

metal carbides. X. Shi, Y. Chang, C. Ng 

Section C 


Room 105 



N. Maitra, Presiding 

8:40 193. Nonempirical density functional 

for covalent and noncovalent interactions. 

A. D. Becke 

9:10 194. Nonempirical fully-nonlocal density 

functional for correlation. 

A. Ruzsinszky,J.P.Perdew, 

G. I. Csonka 

9:40 195. Development of new exchangecorrelation 

functionals. A. J. Cohen, 

P. Mori-Sanchez, W. Yang 

10:10 196. Importance of cusps in TDDFT. 

Z. Yang, N. T. Maitra, K. Burke 


10:45 197. Exact exchange plus local- and 

nonlocal-density approximations to the 

correlation functional. M. Scheffler 

11:15 198. Range separated DFt functionals. 

K. Hirao 

11:45 199. Analytic structure of functional 

derivatives of density-functional approximations. 

A. P. Gaiduk, V. N. Staroverov 



Force Field Development Sponsored by 

COMP, Cosponsored by PHYS 






Section A 


Room 104C 


Electron Capture, Radicals and Mass 

Spectrometry 


V. Gabelica, Presiding 

1:30 200. Energetics and dynamics of dissociation 

of peptide radical anions. 

J. Laskin,Z.Yang,C.Lam,I.K.Chu 


2:10 201. Elucidating the not so odd behavior 

of odd electron biological molecules in 

the gas phase using electron predators 

and the selective generation of reactive 

radical centers. J. L. Beauchamp, 

C. Sohn 


2:50 202. Electron transfer dissociation reactions 

of peptide anions with open-shell 

cations: Energetic considerations and 

charge transfer reactions. N. C. Polfer, 

I. Ugalde, M. L. Easterling, J. Wolff 



3:30 203. Electron capture induced dissociation 

of doubly charged peptide dications: 

What governs the outcome? 

S. Brøndsted Nielsen 


4:10 204. Negative ion stabilization of zwitterionic 

states of gas-phase amino acids. 

C. Dessent 


Section B 


Room 104B 




N. Damrauer, Presiding 

1:30 205. Basic research in solar photoconversion 

at basic energy sciences: Programs 

and interests. M. T. Spitler 

2:10 206. New light harvesters and redox 

shuttles for dye-sensitized solar cells. 

J. Hupp 

2:50 207. Inverse design of molecular chromophores 

for dye-sensitized solar cells. 

D. Xiao, R. C. Snoeberger III, L. Martini, 

R. H. Crabtree, V. S. Batista 


3:30 208. World powered predominantly by 

solar and wind energy: The role of materials 

science. W. Kohn 

4:10 209. Visible light into chemical bonds: 

Dynamics and yields of I-I bond formation 

in fluid solution and at sensitized interfaces. 

G. Meyer, S. Ardo, J. Rowley, 

B. Farnum 

4:50 210. Computational study of naphthalocyanine 

chromophores for infrared solar 

cells. E. Jakubikova, R. L. Martin 

Section C 


Room 105 



A. Wasserman, Presiding 

1:30 211. Orbital-free density functional theory 

for covalent and metallic materials. 

E. A. Carter 

2:00 212. Conceptual density functional theory: 

The linear response function and 

third order derivatives. P. Geerlings, 

N. Sablon, T. Fievez, F. De Proft 

2:30 213. Intermolecular interactions in density-functional 

theory. E. R. Johnson 

3:00 214. Recent progress in problems traditionally 

hard for density functional theory. 

R. Baer 


3:35 215. Conical intersections and charge 

transfer in density functional theory. 

T. J. Martinez, I. S. Ufimtsev, 

S. Varganov, C. Isborn, N. Luehr 

4:05 216. Calculations of excited state properties 

of nanostructures using many body 

perturbation theory. G. Galli 

4:35 217. Resonance Raman scattering of 

charge-transfer complexes using longrange 

corrected DFT. L. Jensen 

Section D 


Room 107B 





L. Williams, Presiding 

1:30 218. Uptake kinetics of water adsorbing 

to aqueous aerosol. J. P. Reid, 

R. E. Miles, K. J. Knox, A. M. Laurain, 

H. Tong 

2:10 Adam Ahern 

2:30 219. Widespread halogen activation by 

N 2O 5 heterogeneous chemistry. 

J. A. Thornton, J. P. Kercher, 

T. P. Riedel, N. L. Wagner, J. Cozic, 

J. S. Holloway, W. P. Dube, G. M. Wolfe, 

P. K. Quinn, A. M. Middlebrook, 

B. Alexander, S. S. Brown 

3:10 220. Heterogeneous oxidation trajectories: 

Understanding the competition between 

functionalization and volatilization 

reactions in chemically reduced and oxidized 

organic aerosols. K. R. Wilson, 

J. D. Smith, J. H. Kroll, S. Kessler, 

D. R. Worsnop, H. Bluhm, E. R. Mysak 


3:50 221. Direct measurement of the heterogeneous 

reaction of N 2O 5 on ambient 

aerosol particles. T. H. Bertram, 

O. S. Ryder, J. A. Thornton, T. P. Riedel, 

E. Fitzgerald, K. A. Prather 

4:30 222. Direct detection of the nitrooxyperoxy 

radicals in the oxidation of 

VOCs by NO3. K. Takematsu, 

N. Eddingsaas, S. Barklund, M. Okumura 

4:50 223. NOx effects on secondary organic 

aerosol formation: Aerosol production 

from NO 3 � biogenic hydrocarbons and 

potential NO 3 heterogeneous loss. 

J. L. Fry, J. Katz, K. Sackinger, L. Zha, 

R. C. Cohen, A. W. Rollins, 

A. Kiendler-Scharr, S. S. Brown 

Section E 


Room 106 




Biological Assemblies Cosponsored by 

ANYL 

E. Baker, Organizer 

M. Bowers, Organizer, Presiding 


1:35 224. Using ion mobility spectrometry - 

mass spectrometry to unravel biomolecular 

assembly pathways. A. E. Ashcroft 

2:15 225. Metal binding of model Cys 2His 2 

zinc-finger peptides in the gas phase. 

Y. V. Berezovskaya, C. T. Armstrong, 

D. N. Woolfson, P. E. Barran 

2:35 226. Conformational conversion from 

random assembly to �-sheet in amyloid 

fibril formation. C. Bleiholder, 

N. F. Dupuis, T. Wyttenbach, 

M. T. Bowers 

3:15 227. Ion mobility mass spectrometry of 

macromolecules: Amyloids and cages. 

P. Barran 

3:55 228. Gas phase structure of concanavalin 

A tetramers is spheroidal rather 

than tetrahedral. R. Borrajo, M. Zurita, 

J. F. de la Mora 

4:15 229. Probing conformational changes 

by ion mobility. P. Dugourd 

Section G 


Room 107A 


Analysis 

K. Lehmann, Organizer 

B. Pate, Organizer, Presiding 





PHYS 

TECH–103


1:30 230. March to early science and beyond. 

A. Wootten 

2:10 231. Characterizing the chemistry of 

the laser ablation source using chirped 

pulse Fourier transform microwave spectroscopy. 

S. A. Cooke 

2:50 232. Using CP-FTMW spectroscopy to 

determine the torsional barriers of methyl 

groups attached to an aromatic ring. 

R. G. Bird, D. W. Pratt, J. L. Neill, 

B. H. Pate 


3:25 233. Chemical analysis in the submillimeter 

spectral region. F. C. De Lucia, 

I. R. Medvedev, C. F. Neese, 

G. M. Plummer 

4:05 234. Synchrotron-based far infrared 

spectroscopy of four-membered heterocycles. 

J. van Wijngaarden 

4:45 235. Room-temperature chirped-pulse 

Fourier transform microwave spectroscopy: 

Rotational spectra of molecules in excited 

vibrational states. S. T. Shipman, 

B. Reinhold, B. M. Kriegel, I. A. Finneran, 

S. L. Lang 

Section H 


Room 103 


Bioinorganic Spectroscopy 

A. Palmer, Organizer 

T. Brunold, Presiding 


1:35 236. Mössbauer, EPR and DFT studies 

of a synthetic Fe III -O- Fe IV �O complex: 

Superexchange-driven S � 1àS� 2 

spin transition at the Fe IV �O site. 

E. Munck 


2:15 237. Geometric and electronic structure 

contributions to Cu/02 reactivity. 

E. I. Solomon 


2:55 238. Manganese and iron K-beta X-ray 

emission spectroscopy as a probe of biological 

catalysis. S. DeBeer 


3:35 239. Spectroscopic and electronic 

structure studies of pyranopterin molybdenum 

enzymes. M. Kirk 


4:15 240. NMR, a highly sensitive probe of 

second-sphere interactions in paramagnetic 

cytochromes. K. L. Bren, 

S. E. Bowman, M. D. Liptak 


4:35 241. Imaging correlated electrons by 

ultrafast polarization phase selective radiation 

signatures (PPS-RS): Helping enzyme 

electrons do what no electron has 

done before. K. Rupnik, S. McGill 


4:55 242. Mössbauer studies of mono- and 

dinuclear model complexes for the hydrogenases. 

C. V. Popescu, M. Singleton, 

M. Y. Darensbourg, T. Liu, A. Bilko 




Reaction Rate Theory, Vibrational 

Relaxation, and Simulation Methods 

Sponsored by COMP, Cosponsored by PHYS 


Section D 


Room 107B 





F. Keutsch, Presiding 


104–TECH 

8:00 243. Correlation of oxidation state with 

the hygroscopic growth and cloud condensation 

nuclei (CCN) properties of laboratory 

generated secondary organic 

aerosols (SOA). P. Massoli, A. Lambe, 

A. T. Ahern, L. R. Williams, W. H. Brune, 

M. Ehn, P. Miettenen, E. S. Cross, 

T. B. Onasch, J. T. Jayne, M. Kulmala, 

A. Laaksonnen, D. R. Worsnop, 

P. Davidovits, C. E. Kolb 

8:40 244. Mechanical probing of icelike water 

monolayers. D. Xu, K. M. Liechti, 

K. Ravi-Chandar 

9:00 245. Hygroscopicity and oxidation of 

oxygenated organic aerosol. J. Abbatt 

9:40 246. Water uptake and chemical transformations 

of aerosols studied by single 

particle scanning transmission X-ray microscopy. 

A. V. Tivanski 


10:20 247. Climate effects on new particle 

formation from VOCs emitted from boreal 

tree species. A. Kiendler-Scharr, 

J. Wildt, M. Dal Maso, T. Hohaus, 

E. Kleist, T. Mentel, R. Tillmann, 

A. Wahner 

11:00 248. Characterizing molecular aerosols 

through infrared spectroscopy and 

vibrational dynamics. T. C. Preston, 

G. Firanescu, R. Signorell 

11:20 249. Measurements of size-resolved 

chemical mixing state: Implications for 

climate. K. A. Prather 

Section A 


Room 104C 


Electron Capture, Electron Detachment and 

Charge Transfer 


A. Holm, Presiding 

8:20 250. Proper and improper aminoketyl 

radicals in electron-based peptide dissociations. 

F. Turecek,T.W.Chung 

9:00 251. Electron capture by peptides and 

metal ions. E. R. Williams, W. A. Donald, 

T. G. Flick 

9:40 252. Electronically excited and ionized 

states of the photoactive yellow protein 

chromophore: Insights from electronic 

structure calculations. K. B. Bravaya, 

D. Zuev, A. I. Krylov 


10:20 253. Propagator interpretations of 

biomolecular electron binding energies. 

J. V. Ortiz 

11:00 254. Spectroscopy of dark states by 

anion photodetachment photoelectron 

spectroscopy. R. Weinkauf, S. Siegert, 

F. Vogeler 

11:40 255. Electron tunneling in FeS proteins. 

A. Stuchebrukhov 

Section B 


Room 104B 




E. Galoppini, Presiding 

8:20 256. Quantum dot solar cells for photovoltaics 

and fuels. A. J. Nozik, 

M. C. Beard, J. M. Luther, A. Midgett, 

O. E. Semonin, B. Hughes, D. Smith, 

J. Gao, J. C. Johnson 

9:00 257. New aspects of photophysics of 

semiconductor nanocrystals from the 

perspective of solar energy conversion. 

V. I. Klimov 

9:40 258. Investigation of multiple exciton 

generation in nanoparticle thin films: Systematically 

tuning ligand electronics. 

J. M. Zemke, D. R. Tyler 


10:20 259. Multiexciton generation in semiconducting 

nanocrystals. E. Rabani 

11:00 260. Theoretical studies of ultrafast 

dynamics in carbon nanoscale materials 

for solar energy harvesting and storage. 

O. Prezhdo 

11:40 261. Energy transport in Ru(II) and 

Os(II) loaded molecular assemblies. 

S. Bettis, B. P. Mehl, D. Wilger, C. Kent, 

C. Materese, G. Papoian, M. Waters, 

W. Lin, T. J. Meyer, J. M. Papanikolas 

Section G 


Room 107A 


Analysis 

B. Pate, Organizer 

K. Lehmann, Organizer, Presiding 

8:25 262. Aircraft measurements of atmospheric 

nitrogen oxides by diode laser 

cavity ring-down spectroscopy. 

S. S. Brown,W.P.Dubé, N. L. Wagner, 

H. Fuchs, R. A. Washenfelder 

9:05 263. Absorption detection in nanoliter 

detection volumes. H. Loock, 

H. Waechter, J. Litman, K. Bescherer 

9:45 264. Portable multiple laser continuous 

flow cavity-ringdown system for methane 

isotopologues. Y. Chen, J. Kessler, 

K. K. Lebmann, T. C. Onstott 


10:20 265. Off-axis cavity ring down spectroscopy 

at low temperatures for laboratory 

study of planetary atmospheres. 

C. E. Manzanares 

11:00 266. New singly resonant continuous 

wave optical parametric oscillators. 

M. Vainio, M. Siltanen, L. Halonen 

11:40 267. Improving photostability of fluorescence 

dyes for single molecule spectroscopy 

by using molecular cavity quantum 

electrodynamics. H. Cang,X.Zhang 

Section E 


Room 106 




Technology Development Cosponsored by 

ANYL 

M. Bowers, E. Baker, Organizers 

J. McLean, Presiding 


8:35 268. Traveling wave ion mobility separation: 

Instrumentation and applications. 

K. Giles 

9:15 269. FAIMS as a filter for biomarker detection. 

A. L. Ferzoco 

9:35 270. Ion mobility separations in high 

throughput proteomics: A novel approach 

to protein detection and quantitation. 

M. E. Belov, E. S. Baker, Y. M. Ibrahim, 

D. C. Prior, W. F. Danielson, 

R. T. Kurulugama, S. Prasad, A. R. Shah, 

K. L. Crowell, G. A. Anderson, R. D. Smith 

10:15 271. How important is the IMS resolution 

for the determination of absolute 

cross sections? G. Baykut,M.A.Park 

10:55 272. Internal energy content of ions in 

a travelling wave ion guide. D. Morsa, 

V. Gabelica, F. Rosu, F. Remacle, 

E. A. De Pauw 

11:15 273. High-resolution ion mobility measurements. 

S. J. Valentine, R. S. Glaskin, 

S. I. Merenbloom, S. Lee, 

F. M. Nachtigall, R. T. Kurulugama, 

D. E. Clemmer 

Section H 


Room 103 


Nanoparticle and Surface Chemistry for 

Biological and Biomedical Applications 



8:40 274. Ag nanodot fluorophores enabling 

synchronously amplified fluorescence image 

recovery (SAFIRe). R. Dickson 


9:20 275. Nanoparticle-based probes for 

biosensing and in vivo imaging applications. 

J. Rao 


10:00 276. Imaging and influencing cells 

with metal nanoparticles. C. J. Murphy 


10:40 277. Metal cation interactions with 

DNA-functionalized surfaces studied by 

the Eisenthal chi(3) method. F. M. Geiger 


11:20 278. Electron tunneling through 

M121X mutant azurins on mixed SAM 

gold electrodes: Axial ligand effects on 

the ET rates of blue copper proteins. 

K. Yokoyama, N. Nakamura, H. Ohno, 

J. R. Winkler, J. H. Richards, H. B. Gray 


Section C 


Room 105 



R. Baer, Presiding 

8:40 279. Static correlation via constrainedpairing 

mean-field theory. G. E. Scuseria 

9:10 280. Functional derivatives and differentiability 

in density-functional theory. 

P. Xiang, Y. A. Wang 

9:40 281. TDPM3 for large systems. 

D. Neuhauser 



10:45 283. From open-system TDDFT to 

first-principles decoherence. X. Li, 

W. Liang, C. Isborn, C. Chapman 

11:15 284. Theory of excitation broadening 

using time-dependent density functional 

theory for open quantum systems. 


11:45 285. Time dependent density functional 

theory for nonadiabatic electronic 

dynamics. V. Krishna 




Biomolecular Systems Sponsored by COMP, 



Section A 


Room 104C 


Electron Capture, Radicals and Mass 

Spectrometry 


N. Polfer, Presiding 

1:30 286. Electron capture induced dissociation 

of peptides: Does the recombination 

energy of the charged groups play a 

role in determining the charge partitioning 

between c and z ions? A. I. Holm 






consent from ACS.

2:10 287. Mechanism of ECD from a radical 

chemistry perspective. R. Julian, 

B. Moore, T. Ly 

2:50 288. Theoretical exploration of C—C 

bond fragmentation in model lignin cation 

radicals. R. Parthasarathi,D.W.Cho, 

A. S. Pimentel, D. Dunaway-Mariano, 

P. S. Mariano, P. Langan, S. Gnanakaran 


3:30 289. Electron interactions with multiply 

protonated betaine clusters. 

L. Feketeova, J. Yoo, G. N. Khairallah, 

R. A. O’Hair 

4:10 290. Uses of electron capture dissociation 

in biomolecules. P. B. O’Connor 


Section B 


Room 104B 




O. Prezhdo, Presiding 

1:30 291. Black silicon: Engineering an intermediate 

band in silicon for photovoltaic 

applications. E. Mazur 

2:10 292. Photovoltages and photoinduced 

electronic charge separation from a combined 

density matrix-ab initio treatment: 

Applications to metal clusters adsorbed 

on Si slabs, without and with dopants. 

D. A. Micha, D. S. Kilin, A. S. Leathers, 

J. J. Ramirez 

2:50 293. First-principles screening and design 

of organic photovoltaic materials on 

the World Community Grid. 

J. Hachmann, R. Olivares-Amaya, 

L. Vogt, S. Atahan, R. S. Sanchez-Carrera, 

A. Gold-Parker, E. Lin, A. Aspuru-Guzik 


3:30 294. Polarized semiconductor solid oxides 

based on ferroelectrics: New materials 

for photovoltaic devices. A. M. Rappe 

4:10 295. Synthesis, structure, and electronic 

properties of compositionally complex 

n-doped titanates: Toward the photooxidation 

of water. B. M. Bartlett, 

T. M. Breault, J. E. Yourey 

4:50 296. Single nanowires as molecularscale, 

high-efficiency photovoltaic elements. 

J. F. Cahoon,T.J.Kempa, 

R. Day, C. M. Lieber 

Section C 


Room 105 


X. Li, Organizer 

W. Yang, Organizer, Presiding 

1:30 297. Challenge of strong correlations: 

Prospects of density functionals vs. density-matrix 

functionals. E. Gross 

2:00 298. Multicomponent density functional 

theory: Development of electronproton 

functionals. S. Hammes-Schiffer 

2:25 299. Weakly interacting subsystems in 

DFT. T. Van Voorhis, O. Vydrov 

2:55 300. GGA functional satisfying the 

large-s constraint. A. Vela, 

J. Martin del Campo, J. Gazquez, 

S. B. Trickey, J. Pacheco-Kato 


3:30 301. Numerical integration along the 

adiabatic connection in DFT. A. Savin 

4:00 302. Solving the Schrödinger and Dirac-Coulomb 

equations. H. Nakatsuji 


Section D 


Room 107B 





J. Abbatt, Presiding 

1:30 303. Glyoxal perspective on air quality 

and climate science. R. Volkamer 

2:10 304. Aerosol formation by cloud processing 

of methylglyoxal and amines: Kinetics 

and products. D. O. De Haan, 

H. Takano, V. A. Blasic 

2:30 305. Fate of glyoxal in aerosol: Laboratory, 

chamber, and ambient studies. 

M. M. Galloway, P. S. Chhabra, 

A. W. Chan, J. D. Surratt, G. Yu, 

R. C. Flagan, J. S. Seinfeld, 

F. N. Keutsch 

3:10 306. Hydration of methylglyoxal in gasphase: 

Optical extinction measurements. 

J. L. Axson 


3:50 307. Organic aerosol formation and 

processing in the atmospheric aqueous 

phase: A model perspective. B. Ervens 

4:30 308. Monitoring particle phase transitions 

with a humidified quartz crystal microbalance. 

S. R. Schill,P.K.Hudson 

4:50 309. Linking atmospheric aerosol 

chemistry and climate properties. 

V. McNeill, N. Sareen, A. N. Schwier, 

D. Mitroo, E. L. Shapiro 

Section E 


Room 106 




Structural Analysis & Filtration Cosponsored 

by ANYL 


P. Barran, Presiding 


1:35 310. Ion mobility-mass spectrometry 

as a structural probe of intrinsically disordered 

peptides/proteins (IDP). 

D. H. Russell 

2:15 311. Using differential ion mobility as a 

conformational filter for cold ion spectroscopy. 

Y. Papadopoulos, A. Svendsen, 

O. V. Boyarkin, T. R. Rizzo 

2:35 312. Dissociation of gas ions in air before 

mass spectrometers using electric 

fields from field dependent mobility spectrometers. 

G. A. Eiceman 

3:15 313. Ion mobility for probing reactions, 

energetics and structures of complex organics 

formed by intracluster reactions. 

M. S. El-Shall 

3:55 314. Structural examination of multiply 

charged negative oligonucleotides. 

M. Vonderach 

4:15 315. Molecular classification using projected 

ion densities (m/�). H. H. Hill 

Section G 


Room 107A 


Analysis 


E. Riedle, Presiding 

1:30 316. New ultrafast science opportunities 

at LCLS. P. Bucksbaum 

2:10 317. High harmonic generation and 

strong field ionization probes of molecular 

dynamics. W. Li 

2:50 318. New approaches to analysis of 

resonant Raman spectra. D. Rappoport, 

S. Shim, A. Aspuru-Guzik 


3:25 319. Spectroscopic applications based 

on shaped ultrashort laser pulses. 

M. Dantus 

4:05 320. On the dependence of the electronic 

properties of ferric (hydr)oxides on 

nanoparticle size: Relation to aquatic 

chemistry. I. Chernyshova, 

S. Ponnurangam, P. Somasundaran 

4:25 321. Optical chirality and its interaction 

with matter. Y. Tang,A.E.Cohen 

4:45 322. Using ligand-detected NMR to 

probe the aggregation of amylin. 

K. J. Robbins, G. Lin, N. D. Lazo 




Biomolecular Systems Sponsored by COMP, 




Hall C 


M. Johnson, W. Yang, X. Li, Organizers 

6:00–9:00 

323. Triplet excitation energy transfer with 

constrained density functional theory. 

S. Yeganeh, T. Van Voorhis 

324. Transferability of fragments in partition 

density functional theory. Y. Zhang, 

A. Wasserman 

325. Physical and chemical content of the 

exchange dimensionless gradient. 

J. M. del Campo, A. Vela, J. L. Gázquez 

326. Adiabatic connection for strictly correlated 

electrons. Z. Liu, K. Burke 

327. Azobenzene switching on gold surfaces: 

Challenges and insights from theory. 

C. Chapman, I. Paci 

328. Leading corrections to local density approximations. 

A. Cangi, D. Lee, P. Elliott, 

K. Burke 

329. Density functional resonance theory. 

D. L. Whitenack, A. Wasserman 

330. Local approximations beyond Born-Oppenheimer. 

L. Wagner,K.Burke 

331. Ab initio modeling of complex interfaces: 

Applications in iron corrosion and 

metal sintering. Y. Cai, M. Neurock 

332. Semiclassics in density functional theory. 

D. Lee, A. Cangi, P. Elliott, K. Burke 

333. Using hydrogenic orbitals to improve 

DFT. J. C. Snyder, J. Ovadia, D. Lee, 

K. Ray, K. Burke 

334. Reactions between hyperthermal O( 3 P) 

and CO 2: Dynamics calculated using 

forces from density functional theory may 

be as good as it gets. J. T. Paci, 

L. Y. Yeung, M. Okumura, J. Zhang, 

T. K. Minton, J. M. Martin, J. P. Camden, 

G. C. Schatz 

335. Describing the electronic and optical 

properties of silver clusters using longrange 

corrected functionals. 

D. W. Silverstein, L. Jensen 

336. Thermal effects on reorientation of hydroxide 

ions in water: An ab initio molecular 

dynamics study. Z. Ma, 

M. Tuckerman 

337. DFT study of oxidative dehydrogenation 

of propane over a VO 2-exchanged 

MCM-22 and ZSM-5 zeolites. 

S. Wannakao,T.Maihom, 

W. Sangthong, B. Boekfa, 

P. Khongpracha, J. Limtrakul 


339. Ab initio search for global minimum 

structures of novel B xH y (x�3-4, y�4�7) 

neutral and anionic clusters and theoretical 

photoelectron spectroscopic study of 

anionic BxHy clusters. J. K. Olson, 

A. I. Boldyrev 

340. Combustion of asphaltenes. J. Cook, 

C. Parish 

341. Developing DFT concepts for characterizing 

intermolecular interactions in organic 

crystals. T. Li, P. W. Ayers, S. Liu 

342. Potential energy surfaces and mechanisms 

for reactions of CH 3C(O)O 2 with 

HO 2 from density functional methods. 

J. W. Beattie, J. E. Stevens 

343. MP2 melting temperature of water approximated 

by pair-wise potentials developed 

following the adaptive force matching 

method. E. R. Pinnick, S. Erramilli, 

F. Wang 

344. Theoretical study on reaction of epoxides 

and CO 2 to cyclic carbonates. 

J. Guo 

345. Ionization energies of small silicon clusters: 

Vacuum ultraviolet photoionization 

experiment and theoretical calculations. 

O. Kostko,S.R.Leone,M.A.Duncan, 

M. Ahmed 

346. Initial steps in methanol steam reforming 

on PdZn surfaces. G. K. Smith, 

S. Lin, W. Lai, A. Datye, D. Xie, H. Guo 

347. Extending the applicability of B3LYP. 

I. Zhang, J. Wu, X. Xu 

348. Density-functional molecular dynamics 

study on interfacial water on TiO 2 anatase 

(101) and (001) surfaces. Y. Tateyama, 

M. Sumita 

349. Potential energy surface and kinetics of 

ClO � ClO recombination reaction revisited. 

T. Dhilip Kumar, M. Azzurri, 

J. R. Barker 

350. Efficient reaction force field: From proton 

transport to simple organic reactions. 

S. Kale, J. Herzfeld 

351. Reaction rate constants and mechanistic 

detail of the Ni � � Butanone reaction. 

I. E. Laboren, O. J. Villarroel, S. J. Dee, 

V. A. Castleberry, K. K. Klausmeyer, 

D. J. Bellert 

352. Binding affinities of crown-type macrocycles 

with protonated primary amines. 

D. M. Benoist, E. McCullough, 

C. Huffman 

353. Model palladacycles: A study to revisit 

the Endo and Exo-isomers to make a 

comparison based on competitive density 

functional theories (BLYP and 

B3LYP). S. S. Mustakim 

354. Ab initio study of target imines and oxazolines 

to understand the contributing 

factors to the molecular parameters. 

S. Mustakim 

355. Extended Levy-Nagy and Gorling functionals 

for resonance states. Y. Zhang 

356. Accuracy of density functional theory 

(DFT) in reproducing the enantioselectivity 

of reactions involving nitroalkenes. 

C. Wong,J.Ran 

357. Novel density functional theory studies 

on the interaction between electron donating/withdrawing 

molecules and graphene 

layer. Y. N. Moe, Y. Wang 

358. Semi-empirical density functionalbased 

thermochemical method for the efficient 

approximation of enthalpies of formation. 

M. N. Sandberg, D. J. Sandberg, 

J. M. Crowley, J. F. Koscielecki, 

L. S. Ramos, R. R. Birge 

359. Examples of partition density functional 

theory in one dimension. R. Tang, 

A. Wasserman 

360. Computational study of the reactions of 

methanol with the hydroperoxyl and 

methyl radicals. I. M. Alecu,D.G.Truhlar 

361. Correcting systematic errors for spincrossover 

phenomena in transition metal 

complexes using hybrid DFT. 

T. F. Hughes, R. A. Friesner 

362. Iron porphyrins with different imidazole 

ligands: A comparative study with density-functional 

theory. M. Liao, M. Huang, 

J. D. Watts 





PHYS 

TECH–105



Hall C 



(GP-GPUs) 

J. D. Madura, M. Johnson, V. Kindratenko, 

Organizers 

6:00–9:00 

363. Toward unforced molecular dynamics 

simulations of protein binding. J. Kaus, 

M. Zwier, X. Qi, L. Chong 

364. Incorporating automatic differentiation 

into internal coordinates for potential energy 

surface exploration. 

J. L. Sonnenberg, H. P. Hratchian, 

M. J. Frisch 

365. Accelerating correlated quantum chemistry 

calculations using graphical processing 

units. M. A. Watson, 

R. Olivares-Amaya, R. G. Edgar, L. Vogt, 


366. Theoretical investigations of EMIM-Tf 2N 

small cluster stability and dynamics. 

B. D. Prince, Y. Chiu, J. A. Boatz, 

E. J. Maginn 

367. Binding energy calculations of 4d and 

5d transition metal complexes. 

B. B. Averkiev, Y. Zhao, D. G. Truhlar 


Hall C 


M. Johnson, J. Weber, J. Simons, 

Organizers 

6:00–9:00 

368. Cooperative effect in the electronic 

properties of human telomere sequence. 

T. Z. Markus, S. S. Daube, R. Naaman 

369. Electronic excitations in solution: Firstprinciples 

based QM/MM study. 

D. Kosenkov, L. V. Slipchenko 

370. Computational approach to study lignocellulosic 

biomass conversion to fuels. 

Y. A. Kholod, M. H. Lamm, T. L. Windus, 

M. S. Gordon 

371. Excited state dynamics of solutionphase 

photosynthetic antenna proteins 

studied one at a time. R. H. Goldsmith, 

W. Moerner 

372. Electronic excitation cross sections for 

low-energy electron (� 18 eV) scattering 

from cytosine: Applications in nanodosimetry. 

L. Sanche, M. Bazin, 

M. Michaud 

373. Low-energy-electron interaction with 

self-assembled monolayers of DNA containing 

O 2 at cryogenic temperatures. 

L. Sanche, N. Mirsaleh-Kohan, A. Bass, 

P. Cloutier 

374. Water makes Heme-Heme protein interface 

less repulsive. S. Keinan, 

R. Venkatramani, J. M. Nocek, 

D. N. Beratan, B. M. Hoffman 

375. Calculating redox free energies in solution 

and protein with ab initio QM/MM 

minimum free energy path method. 

X. Zeng, H. Hu, X. Hu, W. Yang 

376. 5-Fluorosalicylic acid in its electronically 

excited S 1 state. J. W. Young, 

A. J. Fleisher, D. W. Pratt 

377. Kinetics of electron transfer in 

Re(H126)(W122) Pseudomonas aeruginosa 

azurin. H. R. Williamson, 

L. Sokolova, J. Sykora, J. R. Winkler, 

A. Vlcek, H. B. Gray 

378. Theoretical study of coherent energy 

transfer in photosynthetic systems. 

P. Huo,D.F.Coker 

379. Comparing theoretical and experimental 

evidence to describe systems like 

8-oxo-2�-deoxyguanosine (OdG) and 

similarly-damaged DNA nucleosides. 

A. J. Parker, T. W. Steele, M. Hamm, 

C. A. Parish 

380. Charge transfer processes in longrange 

DNA sequences. E. Sim,H.Kim, 

J. Lee 


106–TECH 

381. Dynamics of electronic dephasing in the 

Fenna-Matthews-Olson complex. 

D. Hayes, G. Panitchayangkoon, 

K. A. Fransted, J. R. Caram, K. F. Freed, 

G. S. Engel 

382. Excited state behavior of stacked 

nucleobase dimer systems containing 

2-aminopurine. J. Liang, S. Matsika 

383. Investigation of excited state proton 

transfer in green fluorescent protein. 

A. McClelland, A. Demidov, 

A. Benabbas, Y. Sun, K. Venugopal, 

T. Sage, J. van Thor, P. Champion 

384. Imaging protein folding dynamics in living 

cells. A. Dhar, S. Ebbinghaus, 

M. Gruebele 

385. Comparison of infrared multiple-photon 

dissociation spectra of protonated diglyme 

generated using a CO 2 laser and a 

free electron laser. M. U. Ehsan, 

W. L. Pearson, J. R. Eyler 

386. Investigation of membrane-penetrating 

peptides: Insights from atomistic and 

coarse-grained models. Z. Wu,Q.Cui, 

A. Yethiraj 

387. Evidence for concerted electron proton 

transfer in charge recombination between 

FADH – and 306 Trp� in DNA photolyase. 

A. A. Zieba, C. Richardson, S. D. Dieng, 

Y. M. Gindt, J. M. Schelvis 

388. Recent developments in the multiscale 

coarse-graining (MS-CG) method: Towards 

systematic and accurate CG modelling 

of complex systems. A. Das, 

H. C. Andersen 


Hall C 


A. Palmer, M. Johnson, Organizers 

6:00–9:00 


390. On the nature of interaction of magnesium 

ions with the ribosome. U. Mohanty 

391. Electrostatic docking of a supramolecular 

host-guest assembly to cytochrome c 

probed by bidirectional photoinduced 

electron transfer. K. I. Jankowska, 

C. V. Pagba, E. L. Piatnitski Chekler, 

K. Deshayes, P. Piotrowiak 

392. Topological analysis of the active site of 

human DNA polymerase � provides insight 

on metal ion mutagenicity in DNA 

synthesis. R. Chaudret, J. Piquemal, 

G. A. Cisneros 

393. Computational design of carbonic anhydrase 

mimics for carbon dioxide capture. 

H. J. Kulik, S. E. Wong, E. Y. Lau, 

C. Valdez, S. Baker, J. H. Satcher, 

R. D. Aines, F. C. Lightstone 

394. Effect of magnesium ion concentration 

on the catalytic activity of ribonuclease H: 

Does a third metal bound at the active 

site modulate endonuclease catalysis? 

M. Ho, M. De Vivo, M. Dal Peraro, 

M. L. Klein 

395. Investigation of multiheme cytochromes 

in Shewanella oneidensis MR-1: Developing 

a model pathway for electron transfer. 

M. A. Firer Sherwood, N. Ando, 

C. L. Drennan, S. J. Elliott 

396. Investigating electron transfer through 

bacterial diheme proteins: Cytochrome c 

peroxidases and MauG. K. Ellis, 

G. Pulcu, H. Hsu, G. Levine, V. Davidson, 

S. Elliott 

397. Temperature induced protein motions 

indicate link to function. J. Borreguero, 

J. He, C. Brown, D. Myles, K. Herwig, 

P. Agarwal 

398. Methionine ligand lability in monhome 

cytochromes c: An electrochemical 

study. B. D. Levin, K. Bren, S. J. Elliott 

399. Redox reactivity and drug binding in mitoNEET. 

D. W. Bak, J. A. Zuris, 

M. L. Paddock, P. A. Jennings, 

S. J. Elliott 

400. Electronic changes in cytochromes c 

with functional consequences. 

M. D. Liptak,K.L.Bren 

401. Metal-cation enhanced deprotonation 

of water by photobases. D. Pines, 

N. Papiashvily, E. T. Nibbering, E. Pines 

402. Thermodynamic studies of carbon dioxide 

and carbonic anhydrase with quasichemical 

theory. D. Jiao,S.Rempe 

403. Copper coordination modes in the 

91-96 and 106-113 fragments of the human 

prion protein: The second and third 

sites. R. Grande-Aztatzi, 

L. Rivillas-Acevedo, L. Quintanar, A. Vela 

404. Mechanism of C-F reductive elimination 

from palladium(IV) fluorides. 

E. Tkatchouk, F. Takeru, D. Benitez, 

A. E. Strom, P. Tang, T. Ritter, 

W. A. Goddard 

405. Acidity of complexes of acetylene and 

row four transition metals from electronic 

structure calculations. J. W. Beattie, 

J. E. Stevens 

406. Synthesis and characterization of donor-porphyrin-acceptor 

triads. 

J. Rochford, D. Polyansky 

407. Ultrafast energy delocalization in porphyrin 

macrocycles: Elucidating a ninetyfold 

two photon cross section enhancement. 

J. E. Raymond, T. Goodson 

408. Circular dichroism study of the cationinduced 

conformational differences in 

guanosine 5�-monophosphate. M. Panda, 

J. A. Walmsley 

409. Evolution of intensive plasmon resonances 

by the geometric control of colloidal 

copper nanoprisms in nonionic microemulsions. 

Y. Park,H.Chae 

410. Active-site dynamics of the SpvC virulence 

factor from Salmonella typhimurium 

and density functional model for the catalytic 

mechanism of the phosphthreonine 

lyase. G. K. Smith, Z. Ke, A. C. Hengge, 

D. Xu, D. Xie, H. Guo 

411. Hybrid rotational isomer state diffusion 

operator method for efficient calculation 

of high field electron spin resonance 

spectra from molecular dynamics. P. Yin, 

M. Ondrechen, D. E. Budil, P. G. Fajer 

412. Ultrafast dynamics of ligand substitution 

of iron pentacarbonyl in ethanol. 

B. Ahr, M. Chollet, B. Adams, 

C. Rose-Petruck 

413. Colloidal supported metal nanoparticles 

(CSMNs) as novel intermediate nanocatalysts 

for liquid phase Suzuki cross-coupling 

reactions. K. Gude, R. Narayanan 

414. Bimolecular encounters: Acid-base 

and/or electron transfer in ruthenium (II) 

complexes, experiment and theory. 

M. Kowalczyk, J. C. Colis, A. Perri, 

C. Yun, S. Jang, H. D. Gafney 

415. Molecular simulation of the nucleation 

and growth of Pd-Ni nanoparticles. 

K. D. Watson, S. E. Tatsinkou, 


416. Modeling orientations of a nitroxide spin 

label in 3D space. J. M. McCracken, 

D. J. Hirsh 

417. Novel ligand-exchange technique for 

rapid functionalization of monolayer-protected 

gold nanoparticles. Z. Reed, 

R. Wallace, S. Cutler, M. Stobiecka, 

M. Hepel 

418. Gold nanoparticles as drug delivery 

vectors. T. Doane, Y. Cheng, 

M. E. Kenney, C. Burda 

419. Limited proteolysis and circular dichroism 

studies of the aggregation of the 

amyloid-� protein. K. MacDowell, 

N. D. Lazo 

420. Zn(II)-OH 2 interactions in metalloenzymes: 

Where are the protons? 

D. P. Linder 

421. Quantum mechanical modeling of a Tripodal 

[2]rotaxane. C. Lee, G. Maeng, 

H. Kim, K. Sohlberg 

422. Recent developments and uses of theoretical 

spectrosocopy in bioinorganic 

chemistry. F. Neese 


Hall C 



C. Schmuttenmaer, M. Johnson, V. 

Batista, Organizers 

6:00–9:00 

423. Solar energy conversion with atomic 

layer deposition grown WO 3. 

S. W. Sheehan,Y.Lin,X.Liu,D.Wang 

424. Artificial photosynthetic antennas from 

the self-assembly of peptide-porphyrin 

complexes. L. Hagens, M. Reca, 

M. Warner, D. Kuciauskas, G. A. Caputo 

425. Surface chemistry with photo-sensitive 

stepped metal–insulator–semiconductor 

heterosystems. K. Stella, D. A. Kovacs, 

W. Brezna, J. Smoliner, D. Diesing 

426. General method for the direct exfoliation 

of inorganic layered structures into 

atomically-ordered single nanosheets. 

P. F. Fulvio, X. Wang, S. M. Mahurin, 

G. A. Baker, G. M. Veith, R. R. Unocic, 

S. Dai 

427. Coherence energy transfer in a photosynthetic 

complex. 

G. Panitchayangkoon, D. Hayes, 

K. A. Fransted, J. R. Caram, E. Harel, 

J. Wen, R. E. Blankenship, G. S. Engel 

428. P3HT/PCBM composite organic nanoparticles 

for solar cell applications: Structure-function 

relationships. M. Mathew, 

Z. Hu, A. J. Gesquiere 

429. Photocatalytic and spectroscopic studies 

of an environmentally relevant surface. 

F. M. Dukes, N. Asong, M. Shultz 

430. Investigation of electrochemical mechanism 

of water splitting on titanium oxide 

clusters. L. B. Pandey,C.M.Aikens 

431. Miscibility of PCBM in P3HT at the molecular 

level in polymer solar cells. 

B. A. Collins, J. Seok, H. Yan, 

C. McNeill, D. Kilcoyne, H. Ade 

432. Enhancement of photocurrent in dye 

sensitized solar cells incorporating cyclometalated 

ruthenium complexes with CuI 

as an electrolyte additive: Electrochemical 

analysis under dark conditions. 

T. Ghaddar 

433. New paradigms for semiconductor assemblies 

for photovoltaic cells. 

D. Venkataraman, B. Venkatraman, 

K. Reeves 

434. Ultrafast transient absorption and surface 

enhanced Raman of photosynthetic 

reaction centers linked to silver nanoparticles. 

S. J. Murphy, C. Postnikoff, 

P. V. Kamat, L. Huang 

435. Design and properties of iron based 

photosensitizers for dye-sensitized solar 

cells. F. A. Jove, Y. Chou, B. B. Wayland, 

H. Dai 

436. Large, stable graphene quantum dots 

with tunable size and energy levels. B. Li, 

X. Yan, X. Cui, L. Li 

437. Influence of pore loading and pore 

shape on the properties of ionic liquids 

confined inside nanoporous carbons. 

J. D. Monk,F.R.Hung 

438. Electrochemical preparation of p-type 

ternary metal oxides for solar energy conversion. 

C. G. Read,K.Choi 

439. 2D Fourier transform spectroscopy of 

light harvesting complex II. 

S. M. Wichner, P. D. Long, G. S. Engel 

440. Light harvesting mechanisms: Excitonphonon 

coupling in thiophene macrocycles 

at low temperature. D. Flynn, 

T. Goodson 

441. Energy relaxation dynamics of self-assembled 

porphyrin macrocycles. 

J. E. Donehue, T. Goodson, Z. S. Yoon 






consent from ACS.

442. Electronic energy relaxation in graphenes. 

M. L. Mueller,X.Yan, 

J. McGuire, L. Li 

443. Theoretical analysis of the IR spectrum 

of molecular hydrogen adsorbed in 

MOF-5. A. J. Green, A. C. Stern, 

J. L. Belof, B. Space 

444. Photoacoustic effect and sonoluminescence 

generated by laser initiated exothermic 

chemical reactions in carbon 

suspensions. H. Park, G. Diebold 

445. Construction of flatly adsorbed porphyrin 

self-assembled monolayers on gold 

single crystal surfaces. T. Kondo 

446. Commercially viable porphyrinoid dyes 

for solar cells. C. M. Drain 

447. Exciton transport as a quantum engine. 

C. A. Rodriguez-Rosario, P. Rebentrost, 


448. High-efficiency exciton dissociation at 

poly(3-hexylthiophene)/single-walled carbon 

nanotube interfaces in planar nanoheterojunction 

photovoltaics. M. Ham, 

G. L. Paulus, C. Lee, C. Song, 

K. Kalantar-zadeh, W. Choi, J. Han, 

M. S. Strano 

449. Exciton migration study of CdSe nanorods 

by fluorescence correlation spectroscopy. 

S. Roy, D. A. Higgins, 

V. Chikan 

450. Excited states dynamics in organic high 

dielectric materials. M. Guo,T.Goodson 

451. Gas phase reactions of Ta and Nb 

mono and dications with CO. E. Hull, 

T. Windus 

452. Time-resolved measurements of charge 

injection in organic dye sensitized colloidal 

ZnO dispersions. A. S. Huss, 

A. Bierbaum, J. E. Saunders, 

J. Bohnsack, R. Chitta, K. R. Mann, 

W. L. Gladfelter, D. A. Blank 

453. Bioinspired electrets for solar energy 

conversion. S. Upadhyayula, 

R. Bonderer, K. Ashraf, D. Bao, B. Millare, 

A. Ferreira, R. Lake, V. Vullev 

454. Nanoparticle-based dyads for solar to 

electric energy conversion. M. Wu, 

L. Wang, P. Mukherjee, D. H. Waldeck 

455. Structures and reaction pathways of 

methylation of 2-methylnaphthalene with 

methanol over H-BEA zeolite. 

K. Bobuatong, B. Boekfa, S. Wannakao, 

J. Limtrakul 

456. Exploring trap-mediated excitation dynamics 

in colloidal nanocrystals. 

M. Jones, S. S. Lo, G. D. Scholes 

457. Quantum chemical calculation of the 

hydrogenation reaction of encapsulated 

formaldehyde in Na-FAU zeolite. 

W. Sangthong, S. Wannakao, 

S. Choomwattana, T. Maihom, B. Boekfa, 

J. Limtrakul 

458. New linear thienothiophene derivative 

for organic field effect transistor applications. 

S. Atahan-Evrenk, 

R. S. Sanchez-Carrera, R. Mondal, 

J. Schrier, Z. Bao, A. Aspuru-Guzik 

459. Chemical erosion of diamond thin-films 

by hyperthermal atomic oxygen: Sometimes 

the assailant is the protector. 

J. T. Paci, Z. Shpilman, I. Gouzman, 

E. Grossman, L. Shen, T. K. Minton, 

G. C. Schatz, R. Akhvlediani, A. Hoffman 

460. Catalytic dehydrogenation of ethylbenzene 

to styrene over Fe-ZSM-5 zeolite: A 

newly developed density functional theory 

(M06-L) in ONIOM scheme. 

B. Boekfa, T. Maihom, S. Wannakao, 

P. Limtrakul, J. Limtrakul 

461. Single molecules of MEH-PPV are 

highly polarized in excitation and emission. 

M. Traub, G. Lakhwani, J. Bolinger, 

P. Barbara 

462. Exploration of hybrid materials for exploitation 

of hole-transfer photochemistry. 

M. P. Shores, A. M. McDaniel, 

H. Tseng, A. K. Rappe, N. H. Damrauer 

463. Synthesis of silicon nanowire arrays for 

solar cells. J. Cheng, S. R. Williams, 

S. J. Rathi, K. Kiriluk, R. T. Colloins, 

G. L. Frey 

464. Strongly binding ruthenium complexes 

for optically driven charge transfer between 

supramolecular and nanoscale 

systems. J. R. Alston,J.C.Poler 

465. Combined computational and experimental 

study on the role of linker in electron 

transfer in porphyrin-anthraquinone 

dyads. D. Liu, K. Weerasinghe, X. Zhou, 

L. Wang 



468. PbSe xTe 1-x and PbS xTe 1-x quantum 

dot alloys. D. K. Smith, M. C. Beard, 

J. M. Luther, O. E. Semonin, A. J. Nozik 

469. Femtosecond dynamics preceding Auger 

recombination in intensity-dependent 

pump probe spectroscopy of colloidal 

semiconductor nanocrystals. 

W. K. Peters, B. Cho, R. J. Hill, V. Tiwari, 

T. L. Courtney, D. M. Jonas 

470. Probing and optimizing dye adsorption 

density and binding strength on TiO 2 particles 

in DSCSC by optical second harmonic 

generation. Y. Chou, J. Zeng, 

B. Wayland, H. Dai 

471. Photo-initiated multi-electron-transfer 

catalysis at twice-reduced cobalt metalloporphyrins 

anchored to TiO 2. S. Ardo, 

D. Achey, G. J. Meyer 


Hall C 




M. Johnson, S. Brown, V. Vaida, 

Organizers 

6:00–9:00 

472. Gas-phase water mediated equilibrium 

between aldehydes and their geminal diol 

counterparts. M. K. Maron,V.Vaida 

473. Energy distribution in the triplet channels 

of ozone photodissociation. 

G. McBane, L. T. Nguyen, R. Schinke 

474. Gas phase metal acetylene cluster ions 

as model reactors for studying reactivity 

of transition metal ions. P. Sharma, 

I. Attah, M. El-Shall 

475. Gas-liquid scattering using a liquid microjet: 

The journey to high vapor pressure 

liquids. A. M. Johnson, D. K. Burden, 

G. M. Nathanson 

476. Probing radical-molecule reactions with 

synchrotron photoionization mass spectrometry. 

S. Soorkia, A. J. Trevitt, 

C. A. Taatjes, D. L. Osborn, T. M. Selby, 

K. R. Wilson, S. R. Leone 

477. Electron attachment to radicals, products 

of ion-ion mutual neutralization, and 

electron catalyzed mutual neutralization. 

N. S. Shuman, T. M. Miller, C. M. Caples, 

A. A. Viggiano 

478. Infrared predissociation spectra of 

M � (C 6H 6) 1-4(H 2O) 1-2Ar 0-1,M� Li, Na. 

J. P. Beck, J. M. Lisy 

479. Infrared spectroscopy of Li � (CH 4) 1- 

3(H 2O) 3-4 clusters: Promoting H 2O��H 2O 

hydrogen bonding via methanation. 

O. Rodriguez Jr, J. M. Lisy 

480. Photoelectron spectroscopy of the furyl 

anion. K. M. Vogelhuber, S. W. Wren, 

L. Sheps, W. C. Lineberger 

481. Theoretical determined water dimer 

spectra in the near IR and visible regions 

in the atmosphere. R. E. Kelly, 

M. J. Barber, J. Tennyson, 

G. C. Groenenboom, A. van der Avoird 

482. Thermodynamics and spectroscopic 

analysis of carbon dioxide-methane-nitrogen 

mixed gas hydrate. H. Lee, 

J.Yoon,S.Ahn,B.Nam,B.Kim,G.Lee, 

D. Moon, H. Shin 

483. Spectroscopic identification of water/ 

propane interaction: Implications for 

clathrate nucleation. T. H. Vu, M. Shultz 

484. Study of the hydration interaction acting 

between model “lipid” surfaces. C. Eun, 

M. L. Berkowitz 

485. Temperature-dependence of the absolute 

kinetics of hydroxyl radical oxidation 

of thiocynate in aqueous solution. 

D. K. Gaskins, S. P. Mezyk, T. W. Marin 

486. Gas phase reactivity of ClN 3 with positive 

and negative ions. N. Eyet, K. Freel, 

A. A. Viggiano, M. C. Heaven 

487. Solvent-Solute interactions in the gas 

phase: A rotationally resolved electronic 

spectroscopy study of 4-aminophenol 

and its complexes. J. W. Young, 

P. S. Walsh, A. J. Fleisher, D. W. Pratt 

488. Laminar flow cell for the study of secondary 

organic aerosol formation using 

photolytic initiation. W. S. McGivern, 

A. J. Pettibone 

489. Product study of the OH-initiated oxidation 

of acrolein. K. Flanders 

490. OH-initiated oxidation of n-butane in 

the presence of NO x. R. D. Rojas, 

K. Flanders, S. Cullipher, T. Dransfield 

491. Investigation of the OH � ethene addition 

reaction pathways from the 

CH 2CH 2OH radical intermediate. 

B. J. Ratliff, B. W. Alligood, L. J. Butler, 

S. Lee, J. Jr-Min Lin 

492. Influence of deuterium substitution on 

the terahertz spectra of hydrated molecular 

crystals. M. D. King, T. M. Korter 

493. Heterogeneous reactions of nitrogen dioxide 

with potassium iodide and iodideenriched 

sea salt aerosol surrogates. 

E. M. O’Neill, R. Z. Hinrichs 

494. Ozonolysis of solid polyphenol thin 

films: An ATR-FTIR and computational 

study. T. Barnum, N. Medeiros, 

R. Z. Hinrichs 

495. Isomerization potential energy surface 

for N 2H 2. R. C. Mayrhofer 

496. Microscopic structrure of tetrahydrofuran 

hydrate in pore space: MRI tomography 

study. j. Zhao, Y. Song, C. Cheng, 

K. Xue, L. Yao 

497. Experimental study on the separation of 

syngas via hydrate formation. Q. Sun 

498. Optical properties and associated hygroscopicity 

of clay aerosols and their 

mixtures with ammonium sulfate. 

A. R. Attwood, M. E. Greenslade 

499. Theoretical description of phase diagrams 

of hydrogen clathrate hydrates. 

R. Belosludov, H. Mizuseki, Y. Kawazoe, 

O. Subbotin, V. Belosludov 

500. Alkene ozonolysis: Selective scavenger 

studies of stabilized Criegee intermediates. 

G. T. Drozd, N. M. Donahue 

501. Atmosphere is a reservoir of electric 

charge, mediated by water ion partition. 

F. Galembeck, J. S. Bernardes, 

T. R. Ducati, L. P. Santos, T. A. Burgo 

502. Environmental chamber study on liquid 

phase oxidation of isoprene. S. R. Zorn, 

Q. Chen, M. I. Guzman, M. Kuwata, 

S. Lee, Y. Liu, M. Smith, S. T. Martin 

503. Effects of solutes on the interfacial liquid 

layer of ice by infrared spectroscopy. 

R. L. Walker, R. R. Michelsen 

504. Modeling the rovibrationally excited 

CH 2CH 2OH radicals from the dissociation 

of 2-bromoethanol at 193nm. 

B. J. Ratliff, C. C. Womack,X.N.Tang, 

D. E. Szpunar, L. J. Butler 

505. Determination of the CH 3SO 2 3 CH 3� 

SO 2 barrier from the photodissociation of 

methylsulfonyl chloride excited at 193 

nm. D. E. Szpunar, L. J. Butler, K. Lau, 

B. J. Ratliff, X. Tang 

506. First principle investigation of hydrogen 

transfer between surface adsorbed H 2O 

and OH on BaO (001) surface of thin film 

BaTiO 3. J. Martirez, W. Al-Saidi, 

A. Rappe 

507. Impacts of surface-adsorbed catechol 

on tropospheric aerosol surrogates: Heterogeneous 

chemistry and water uptake. 

L. A. Woodill, R. Z. Hinrichs 

508. Measurement of total gas phase organic 

(TGO) composition. 

A. J. Carrasquillo,E.S.Cross, 

D. R. Worsnop, S. Herndon, J. Jayne, 

J. H. Kroll 

509. Characterization of a new rigid walled 

chamber for studying the chemistry of atmospheric 

organic aerosol. J. Hunter 

510. Crystal structures of the type II cyclopentane 

clathrate hydrate and the KOHdoped 

type II propylene oxide clathrate 

hydrate. S. Cryer,C.Y.Jones 

511. Study on the generation of charges by 

ice friction under atmospheric conditions. 

S. Du,T.C.Germann 

512. Diminished kinetic rates in successive 

oxidation of organic aerosol species. 

S. H. Kessler, J. D. Smith, D. L. Che, 

K. R. Wilson, D. R. Wornsop, J. H. Kroll 

513. Triggering intra-cluster electron capture 

with vibrational excitation: An IR study of 

the CH 3NO 2�(H 2O) 6 anion. K. J. Breen, 

T. L. Guasco, M. A. Johnson 

514. Spectroscopy of the �-naphthol-water 

complex in the gas phase: Solvation, internal 

rotation, and electronic interactions. 

A. J. Fleisher, J. W. Young, 

D. W. Pratt 


Hall C 


Analysis 

B. Pate, M. Johnson, Organizers 

6:00–9:00 

515. Chirped pulse millimeter-wave spectroscopy 

of Rydberg-Rydberg transitions. 

K. Kuyanov-Prozument, A. P. Colombo, 

Y. Zhou, G. B. Park, V. S. Petrovic, 

R. W. Field 

516. Theoretical calculation of the MCD 

spectra for some molybdenyl complexes. 

E. Hernandez-Marin, T. Ziegler 

517. New prospects of laser induced acoustic 

desorption for electron attachment experiments 

with biomolecules. 

L. An der Lan, S. Denifl, P. Scheier, 

T. D. Märk 

518. Probing three-body correlations with 3D 

electronic spectroscopy. A. F. Fidler, 

E. Harel, G. S. Engel 

519. Non-Born-Oppenheimer spectroscopy: 

Exploring the conical intersection in bovine 

rhodopsin. J. R. Caram, 

K. A. Fransted, G. G. Griffin, 

M. L. Flanagan, G. S. Engel 

520. State-resolved molecular beam reflectivity 

measurements of CH 4 activation on 

Ni(111). N. Chen,V.L.Campbell, 

Y. Huang, A. L. Utz 

521. Characterization of slip over a solid-liquid 

interface using fluorescence recovery 

after photobleaching (FRAP). 

A. Ponjavic,J.Wong 

522. Conformational populations of a fast 

folding protein captured by time-resolved 

fluorescence energy transfer. N. Bouley 

523. Excited state intramolecular charge 

transfer in the two rotamers of 3-aminobenzoic 

acid as studied by high resolution 

Stark spectroscopy. A. J. Fleisher, 

P. J. Morgan, D. W. Pratt 

524. 2D infrared spectroscopy study of the 

inverse temperature transition in elastinlike 

peptides. J. Lessing,C.S.Peng, 

J. Kim, K. Jones, A. Tokmakoff 

525. Two-photon absorption of silver nanoclusters 

and 2,6 disubstituted benzobisthiazoles. 

T. Goodson, L. N. Upton 

526. High resolution time-of-flight mass 

spectral analysis of vacuum electrospray 

ionization of ionic liquids. B. W. Ticknor, 

Y. Chiu 

527. Isotope-edited single-molecule surfaceenhanced 

Raman spectroscopy of crystal 

violet. S. L. Kleinman,K.L.Wustholz, 

N. Valley, E. Ringe, E. Phillips, 

K. A. Scheidt, G. C. Schatz, 


528. Combining FCS and interferometry to 

extract spectral dynamics from single 

chromophores in solution. L. F. Marshall, 

J. Cui, X. Brokmann, M. G. Bawendi 


530. Multiplexed polarization spectroscopy: 

Measuring surface hyperpolarizability. 

P. Bisson, M. J. Shultz 





PHYS 

TECH–107


531. Comparison of the intermolecular dynamics 

of confined and low-temperature 

bulk benzene. K. M. Manfred,X.He, 

J. T. Fourkas 

532. Collisional deactivation of the 

Ne(2p 5 3p) levels by He. M. H. Kabir, 

K. Freel, M. C. Heaven 

533. Spectroscopic and ab initio studies of 

intramolecular pi-type hydrogen bonding 

in 3-cyclopenten-1-ol, 2-cyclopentene-1amine, 

and 2-hydroxytetralin. 

E. J. Ocola, H. Shin, A. A. Al-Saadi, 

J. Laane 

534. Terahertz spectroscopy and solid-state 

density functional theory of oxidizers 

used in improvised explosives. 

E. M. Witko, T. M. Korter 

535. Modification of the luminescent properties 

of rare-earth ions through plasmonic 

nanoparticles. J. Seo,M.Rigo 

536. Room-temperature study of hydrogen 

adsorption on carbon-based nanomaterials 

using diffuse reflectance infrared 

spectroscopy. J. R. Rocha,D.Zhao, 

J. B. Bult, C. Engtrakul, K. J. O’Neill, 

J. Barker, H. Zhou, L. J. Simpson, 

M. J. Heben, J. L. Blackburn 

537. Femtosecond laser spectroscopic studies 

of the interface of CdTe/CdSe coreshell 

nanocrystals. C. Chuang,C.Burda 

538. Manipulating quantum coherence in 

room temperature liquids to image 

through scattering media. N. Yang, 

A. Cohen 

539. Anomalous increase in the stability of 

human serum albumin upon temperature 

cycling. B. L. McClain, K. Nguyen, 

A. Austin, M. Schrader 

540. Development of an infrared mass spectrometer 

instrument based on an electrospray 

ion source and a cryogenically 

cooled ion trap. M. Z. Kamrath, 

C. Leavitt, R. Relph, M. Johnson 


Hall C 

Physical Chemistry Poster Session 


6:00–9:00 

541. X-ray photoelectron spectroscopy 

(XPS) studies of proton transfer in molecular 

crystals. J. S. Stevens, S. J. Byard, 

S. L. Schroeder 

542. Structure of cell membranes revealed 

by in situ atomic force microscope. 

H. Wang, M. Cai, W. Zhao, X. Hao, 

Y. Shan, X. Shang, J. Jiang 

543. Kinetic study on chemical oxidative polymerization 

of aniline in HCl /NaCl using 

hydrogen peroxide. S. Agnihotra, 

S. P. Surwade, S. K. Manohar 

544. Investigation of molecular rotational activation 

energies in room temperature 

ionic liquids using 14 N NMR spectroscopy. 

T. M. Alam, D. Dreyer, 

C. Bielawski, R. Ruoff 

545. Computational and spectroscopic investigations 

of reversible furan-maleimide 

cycloadditions: Parent reaction and derivatized 

analogs. R. C. Boutelle, 

B. H. Northrop 

546. Free energy of association of two and 

three �-peptide molecules. J. Mondal, 

X. Zhu, Q. Cui, A. Yethiraj 

547. Adsorption and dissociation of NH 3 on 

clean and hydroxylated TiO 2 rutile (110) 

surfaces: A computational study. 

J. Chang, H. Chen, J. Lu, S. Ju 

548. Association kinetics of polar and nonpolar 

protofilaments. G. Reddy 


550. Computational design of fluorescent 

BINOL-based receptors. J. S. Mancini, 

C. Parish 

551. Molecular dynamics investigation of 

Kinesin cargo-binding domain. S. Fisher, 

C. Parish 


108–TECH 

552. Vapor-liquid equilibria of copper using 

hybrid Monte Carlo Wang-Landau simulations. 

T. Aleksandrov, E. A. Kastl, 


553. Nascent IR probing of HCl (v�0, J) from 

collisions with highly excited pyrazine: 

Isotope effects in J-changing collisions. 

M. D. Smarte, N. A. Sassin, 

G. O. Echebiri, A. S. Mullin 

554. Structural and dynamic properties of a 

revised OSS2 model for water. S. H. Lee, 

J. C. Rasaiah 

555. Replica exchange Monte Carlo simulations 

of derivatized fullerenes on Au(111). 

G. Bubnis, H. Mayne 

556. Role of structural anisotropies on model 

poly-3-methyl thiophene (P3MT) films 

and their electrical properties. R. J. Patel, 

M. A. Hickner 

557. High-resolution infrared spectroscopy 

in the O-D stretching region of doublydeuterated 

hydronium ion, HD 2O � . 

M. A. Roberts, E. N. Sharp-Williams, 

D. J. Nesbitt 

558. Effect of the shear on the percolation 

network and the electric conductivity of 

carbon networks/polymer composites: 

Monte Carlo simulation study. B. Sung, 

G. Kwon 

559. Utilization of novel Gemini surfuctantmontmorilonite 

clay complexes in 

triphase catalysis. N. Shabestary, 

D. Rensing 

560. Interfacial charge/discharge and ion 

transport dynamics on nanoporous carbon 

supercapacitors. J. Guo, 

S. M. Mahurin, S. Dai, G. M. Brown, 

R. W. Shaw 

561. Depletion effect on polymers induced 

by small depleting particles. J. Kim, 

I. Szleifer 

562. Flux effect on the melting and wetting of 

solder nanowires and nanorods. F. Gao, 

K. Rajathurai, Q. Cui, I. Nkengfor-Acha, 

Z. Gu 

563. Synthesis of lead-free solder nanoparticles 

and their application as nano-inks 

and nano-pastes. Q. Cui, K. Rajathurai, 

F. Gao, Z. Gu 

564. Genome sequencing by natural DNA 

synthesis. E. E. Roller, K. Ko, Z. Liu, 

M. Walsh, X. Huang 

565. Impact of nuclear quantum effects on 

the liquid-glass transition. 

T. E. Markland, J. A. Morrone, 

K. Miyazaki, E. Rabani, D. R. Reichman, 

B. J. Berne 


567. Degeneration of singlet and triplet excited 

states in luminescent gold nanoparticles. 

C. Zhou, M. Yu, Y. Qin, J. Zheng 

568. Advancing the use of the linear solvation 

parameter model for organosilicon 

compounds for the prediction of physical 

properties relevant to their environmental 

fate. J. L. Mosey, G. Kozerski 

569. Enhanced difluoroboron dibenzoylmethane 

derivatives: Photophysics and 

applications. R. E. Evans, T. Liu, 

G. Zhang, C. Fraser 

570. Two-photon absorbing GFP-type chromophores: 

Synthetic design and spectroscopic 

characterization. T. B. Clark, 

T. Goodson III 

571. Role of energy threshold played in 

MALDI: Studies from the corresponding 

measurements of Gly-Gly-His, Glu-Val- 

Phe and three matrices. B. Chen, 

C. Liang, Y. Lee 

572. Synthesis of InP nanocrystal quantum 

dots using silylphosphine derivatives as 

the phosphorus precursor: Optical and 

structural chracterizations. S. Joung, 

Y.Moon,Y.Kim,C.Han,S.Jeong 

573. Fibonacci code for genetic and epigenetic 

dynamics. D. Gurel, O. Gurel 

574. Aggregation dynamics of sphericallysymmetric 

reactive colloidal particles under 

shear stresses. M. C. Hagy, 

S. J. Fitzwater, T. H. Pierce, M. Schure, 


575. Computational study of the behavior of 

ionic liquids confined inside multi-walled 

carbon nanotubes. R. Singh, J. D. Monk, 

F. R. Hung 

576. Quantum chemical computations of 

H/D deuterium isotope effects on 1H and 

13C NMR chemical shifts. K. S. Yang, 

B. S. Hudson 

577. Non-Born-Oppenheimer spectroscopy: 

Direct exploration of conical intersections. 

K. A. Fransted, J. R. Caram, 

G. B. Griffin, G. S. Engel 

578. Infrared and computational studies of 

vibrations of molecules adsorbed on single-walled 

carbon nanotubes. M. Ellison 

579. Investigation of the primary photodissociation 

channels of chloroacetone at 

193nm. B. W. Alligood, B. FitzPatrick, 

L. J. Butler, D. Szpunar 

580. Use of Cy3 labeled DNA to determine 

the transcription rate of single T7 RNAP 

molecules. D. R. Nicholas,M.L.Norton, 

W. P. Kunin 

581. XYG4-OS: An accurate and fast fifthrung 

density functional method. I. Zhang, 

X. Xu, Y. Jung, W. A. Goddard, III 

582. Microscopic rotor driven by the energy 

stored in braided DNA molecules. 

M. Fernández-Sierra, V. Delgado-Martí, 

E. Quiñones 

583. Seven polymorphs of human carbonic 

anhydrase II exhibit the same packing 

motif. R. L. Kwant, P. W. Snyder, 

E. T. Mack, D. T. Moustakas, M. J. Butte, 


584. Study of emission of gold and silver 

nanoclusters by ultrafast spectroscopy. 

S. Yau 

585. Modeling photoexcited reactions of 

simple molecules in solution. J. Zhang, 

D. Coker 

586. Molecular modeling studies for thermal 

and chemical stabilities of Coprinus cinereus 

peroxidase (CiP) mutants. J. Lee, 

R. Chang, Y. Kim 

587. Structural dynamics of 1,3-Cyclohexadiene 

upon electrocyclic ring opening. 

C. C. Buehler, P. M. Weber, M. P. Minitti, 

S. Deb, J. Bao 

588. Low energy, Co � -mediated decomposition 

kinetics of acetone into Co � CO � 

ethane. O. J. Villarroel, I. E. Laboren, 

D. J. Bellert 

589. One student’s experience in the ACS 

nuclear chemistry summer school program. 

S. McCarthy 

590. New insights into ligand effects during 

quantum dot nucleation and growth. 

C. R. Hine,A.Roy,M.M.Maye 

591. Photophysical properties of alkylamino 

substituted aryl- and diarylidene cyclopentanones. 

C. A. Zoto,R.E.Connors 

592. Semifluorinated polymer brushes by 

surface-initiated atom transfer radical polymerization 

(SI-ATRP) on layer-by-layer 

macroinitiator modified substrates. 

N. C. Estillore, R. C. Advincula 

593. Cocrystals of sulfoxides and thioamides. 

A. E. Lindeman, C. Elcoate, 

S. Lawrence 

594. Molecular wire attachment to singlewalled 

carbon nanotubes. A. Rimshaw 

595. Plasmon-enhanced photoluminescence 

of self-assembled CdSe quantum dots. 

M. Rigo,J.Seo 

596. Elucidation of the role of the central, 

flexible region of IAPP in amyloid formation. 

G. Liu, S. Sparks, N. D. Lazo 

597. Model study of adlayer pattern formation 

on hexagonal and square substrates. 

G. Berezutskiy, L. Lawrence-Hurt, 

G. Bubnis, H. Mayne 

598. Negative ion photoelectron spectra of 

six-membered nitrogen-containing heterocycles. 

S. W. Wren, K. M. Vogelhuber, 

L. Sheps, S. Kato, V. M. Bierbaum, 

W. C. Lineberger 


600. Dynamics at the air/deuterated water 

interface: Theory and experiment. 

I. V. Stiopkin, C. Weeraman, 

P. A. Peiniazek, J. L. Skinner, 

A. V. Benderskii 

601. Electrochemical properties of ruthenium 

sandwich complexes. I. Chacon 

602. Patterned polymer brushes on indium 

titanium oxide surface using RAFT and 

ATRP techniques. M. R. Tria, 


603. Conductivity and component diffusion 

study of a solid lithium polymer electrolyte 

based on the polymer blend of PEG 

and PMMA doped with LiTFSI. Y. Meng, 

L. J. Smith 

604. Primary isotope effect in oxazine dyes: 

Fluorescent lifetime study. X. Song, 

S. Chen 

605. Site selectivity in the growth of copper 

islands on Au (111). F. Grillo, 

S. M. Francis, N. V. Richardson 

606. Computational design of a new type of 

Co-Por carbene catalyst involved in the 

asymmetric cyclopropanation of alkenes. 

C. R. Cioce, J. L. Belof, P. X. Zhang, 

B. Space, H. L. Woodcock 

607. Electrochemical characterization of biomimetic 

bilayers: Insights into drug-membrane 

interactions. N. Jarenwattananon, 

B. D. Lahiji, M. D. Sykes, M. C. Buzzeo 

608. Novel techniques in multiple time scale 

molecular dynamics. J. A. Morrone, 

T. E. Markland, R. Zhou, B. J. Berne 

609. Vibrational spectroscopy of ice Ih, theory 

and interpretation. F. li,J.L.Skinner 

610. Detection of nitric oxide in vivo using 

single-walled carbon nanotube near-infrared 

photoluminescence. M. Shandell 

611. Velocity-map imaging of scattered molecular 

flux: Correlating quantum-state 

and translational distributions. 

J. Roscioli, D. Bell, D. Nesbitt 

612. Conformational control of ubiquitination 

in the cullin-RING E3 ligase machinery: A 

molecular dynamics study. J. Liu, 

R. Nussinov 

613. Solid state electrochemistry of Ag(I), 

Cu(II) and Au(I) nanofibers: Towards 

“nano-electrochemical welding”. 

G. R. Bourret, T. D. Lazzara, 

T. G. van de Ven, R. B. Lennox 

614. Vibrational predissociation spectra in 

the shared proton region of protonated 

formic acid wires. H. K. Gerardi, 

C. M. Leavitt, M. A. Johnson 

615. Study of the solid-liquid equilibrium of 

succinic acid in different solvents and 

modeling using NRTL equation. 

A. Orjuela, A. Yanez, D. Miller, C. Lira 

616. Chemical kinetics of the photochromic 

and thermochromic conversion of spiropyran 

into merocyanine. T. Buthelezi, 

K. K. Smith, O. Grover 


Hall C 




E. Baker, M. Johnson, M. Bowers, 

Organizers 

6:00–9:00 

617. Long distance influences of targets in 

the Belousov-Zhabotinsky Reaction. 

S. B. Minchenberg, K. D. Zauderer, 

H. M. Hastings, S. G. Sobel 

618. Complex band perspective of defect 

states in conducting polymers. Q. Lu, 

M. Li, X. Lin 

619. Interfacial properties and confinement 

effects of aqueous electrolytes in microporous 

carbon. M. C. Wander, 

K. L. Shuford 

620. PEGylated and electropolymerizable 

linear dendron macromolecules: Stability 

and molecular conformation at the airwater 

interface. M. L. Felipe, N. Estillore, 

R. Advincula 






consent from ACS.

621. Thermal fluctuations and reorientations 

in solid state proton wires. J. A. Harvey, 

U. Viswanathan, J. Fermann, 

S. M. Auerbach 

622. Electron and energy transfer across a 

single amide bridge: MLCT relaxation 

processes for an excited ruthenium bipyridine 

donor acceptor complex. 

R. Rached 

623. Sequence dependent preferences of 

cations in nucleic acid structures. 

Y. G. Yingling, L. Sethaphong, A. Singh 

624. Characterization of hygroscopic core: 

Organic shell nanoparticles by tandem 

particle mobility measurements. 

S. A. Nizkorodov, J. Morrison, 

A. MacMillan, C. Harmon 

625. Ion mobility study of the structure and 

binding energy of protonated pyrimidinewater 

and pyrimidine-methanol clusters. 

A. Hamid, M. S. El-Shall 

626. Gas phase sequential reactions of pyridine 

and pyrimidine radical cations with 

acetylene: Evidence for nitrogen-containing 

covalent cyclic adducts. A. Soliman, 

M. S. El-Shall 

627. Coherence resonance in a single walled 

carbon nanotube ion channel. W. Choi, 

C. Lee, J. Han, M. Strano 

628. Electromigration properties of nanoparticles. 

T. L. Doane, Y. Cheng, R. Hill, 

C. Burda 

629. Ion transport through a hybrid membrane 

made of gramadine-A confined in a 

nanoporous polymer film. S. Balme, 

J. Janot, L. Berardo, F. Henn 

630. Ion conductive characteristics of organoboron 

ion gels facilely designed by 

condensation of cellulose with boric acids 

in ionic liquid. N. Matsumi,K.Aoi 

631. Structures of bismuth and tin cluster 

ions. R. Kelting 


Section D 


Room 107B 





S. Nizkorodov, Presiding 

8:00 632. Advances in studying the optical 

properties of complex aerosols with organic 

components. Y. Rudich 

8:40 633. Aerosol optical properties and internal 

structure. M. A. Freedman, 

C. A. Hasenkopf, K. J. Baustian, 

M. E. Wise, K. J. Zarzana, M. R. Beaver, 

M. A. Tolbert 

9:00 634. Changing optical properties of organic 

aerosol. C. D. Cappa, K. R. Wilson, 

J. D. Smith, D. L. Che 

9:40 635. Wavelength and humidity dependent 

aerosol extinction. A. R. Attwood, 

R. T. Chartier, M. E. Greenslade 


10:20 636. Measuring aerosol uptake kinetics 

using laser flash photolysis. G. Smith, 

L. Renbaum 

11:00 637. Role of isoprene epoxydiols in 

the formation of isoprene SOA under low- 

NO x conditions. N. C. Eddingsaas, 

J. D. Surratt, M. Chan, A. W. Chan, 

J. H. Seinfeld, P. O. Wennberg 

11:20 638. Photochemical aging and the 

evolution of atmospheric organic aerosol. 

J. H. Kroll, S. H. Kessler, 

A. J. Carrasquillo, K. R. Wilson, 

D. R. Worsnop 

Section B 


Room 104B 




B. Bartlett, Presiding 

8:20 639. Use of sunlight for the photocatalytic 

conversion of carbon dioxide and 

water vapor to hydrocarbon fuels. 

C. A. Grimes 

9:00 640. Photocatalytic hydrogen production 

with tunable nanorod heterostructures. 

P. Alivisatos 

9:40 641. Carbon dioxide reduction to form 

carbon-carbon bonds: Mechanistic investigation 

of systematically tuned pyridine 

derivatives. A. J. Morris, 

E. L. Zeitler, R. L. Slater, E. B. Cole, 

P. S. Lakkaraju, A. B. Bocarsly 


10:20 642. Structure-function analyses of 

supramolecular and biomimetic designs 

for solar fuels catalysts. D. M. Tiede, 

K. L. Mulfort, A. M. Scott, S. L. Bender, 

O. G. Poluektov, L. M. Utschig, 

L. X. Chen, K. L. Mardis 

11:00 643. Photo-induced two-, four-, and 

six-electron reducing equivalents storage 

using mononuclear Ru complexes. 

K. Tanaka, T. Fukushima, E. Fujita, 

J. Muckerman 

11:40 644. Biphasic ionic liquid-supercritical 

CO 2 solvent systems for the photocatalytic 

reduction of CO 2. D. C. Grills, 

E. Fujita 

Section E 


Room 106 




Macromolecular Structures Cosponsored by 

ANYL 


A. Ashcroft, Presiding 


8:35 645. Ion mobility of membrane and soluble 

complexes. C. Robinson 

9:15 646. Ion mobility mass spectrometry 

applied to virus structure and assembly. 

A. J. Heck 

9:55 647. Development of ion mobility-mass 

spectrometry as a high-throughput approach 

for structural genomics. 

B. T. Ruotolo 

10:35 648. Ion mobility investigations of protein:carbohydrate:metal 

ion non-covalent 

complexes. J. A. Leary 

11:15 649. Role of charge state on protein 

conformation and protein complexes 

probed by ion mobility and mass spectrometry. 

S. H. Lomeli, C. N. Ferguson, 

S. A. Benchaar, R. R. Ogorzalek Loo, 

J. A. Loo 


Section B 


Room 104B 



V. Batista, Organizer 

C. Schmuttenmaer, Organizer, Presiding 

1:30 650. Artifical OEC that is a functional 

mimic of the OEC and PSII. D. G. Nocera 

2:10 651. Theoretical studies of catalysis for 

artificial photosynthesis. 

J. T. Muckerman, X. Shen, Y. A. Small, 

P. B. Allen, M. V. Fernandez-Serra, 

M. S. Hybertsen, E. Fujita 

2:50 652. Effect of a cobalt-based oxygen 

evolution catalyst on the stability and the 

selectivity of photo-oxidation reactions of 

aWO 3 photoanode. J. A. Seabold, 

K. Choi 


3:30 653. Catalytic solar water splitting inspired 

by photosynthesis. homogeneous 

catalysts with a Mechanical (“Machinelike”) 

action. G. F. Swiegers, 

G. Dismukes, L. Spiccia, 

R. Brimblecombe, A. Koo, J. Chen, 

G. G. Wallace 

4:10 654. Optimization of energy transfer 

processes in photosynthetic systems. 

J. Cao 

4:50 655. Highly visible light-sensitive TiO 2 

photocatalysts toward bioinspired solar 

cells. M. Yoon, H. Lee, J. Lee 

Section D 


Room 107B 





J. Kroll, Presiding 

1:30 656. Organic Aerosol formation from 

OH oxidation of a series of alkanes and 

aldehydes. N. M. Donahue 

2:10 657. Unimolecular reactions of precusors 

to secondary organic aerosols. 

W. Tsang 

2:30 658. Effect of molecular structure on 

secondary organic aerosol formation. 

P. J. Ziemann 

3:10 659. Intercomparison study of black 

carbon measurements. E. S. Cross, 

T. B. Onasch, A. Ahern, W. Wrobel, 

J. G. Slowik, J. Olfert, D. Lack, 

P. Massoli, C. D. Cappa, J. P. Schwarz, 

R. Spackman, D. W. Fahey, A. Sedlacek, 

A. Trimborn, J. T. Jayne, A. Freedman, 

L. Williams, N. L. Ng, C. Mazzoleni, 

M. Dubey, B. Brem, G. Kok, 

R. Subramanian, S. Freitag, A. Clarke, 

C. E. Kolb, D. R. Worsnop, P. Davidovits 


3:50 660. Phase transitions of ammonium 

sulfate particles internally mixed with secondary 

organic material. S. T. Martin, 

M. Smith, M. Kuwata 

4:30 661. Binary solid/liquid phase diagrams 

of the ammonium malonate and ammonium 

hydrogen malonate aqueous systems 

with implications for tropospheric 

aerosols. K. D. Beyer, M. D. Richardson 

4:50 662. Aging of secondary organic aerosols 

by carbonyl-amine chemistry. 

S. A. Nizkorodov, D. L. Bones, 

A. P. Bateman, T. B. Nguyen, Z. Cabral, 

L. Q. Nguyen, J. Laskin, A. Laskin 

Section E 


Room 106 




Complex Samples Cosponsored by ANYL 

M. Bowers, Organizer 

E. Baker, Organizer, Presiding 


1:35 663. Pushing the limits of LC-MS sensitivity 

and throughput using IMS-TOF 

MS. R. D. Smith,E.S.Baker, 

Y. M. Ibrahim, D. C. Prior, 

W. F. Danielson III, K. K. Weitz, 

A. R. Shah, G. A. Anderson, M. Belov 

2:15 664. Use of sub-monolayer nanoparticulate 

matrices for lipid imaging by matrix 

implanted laser desorption/ionization 

(MILDI) ion mobility MS. A. S. Woods, 

E. K. Lewis, J. Post, A. Delvolve, 

T. F. Egan, J. A. Schultz 

2:35 665. Shape selective studies of complex 

systems utilizing travelling wave ion 

mobility mass spectrometry. J. Scrivens 

3:15 666. Advances in the temporal and 

structural measurement of cellular secreteomes. 

J. A. McLean 

3:55 667. Ion mobility-mass spectrometery 

as a tool for investigating aggregation inhibitors 

of Alzheimer’s amyloid beta protein. 

M. M. Gessel, H. Li, C. Wu, J. Shea, 

G. Bitan, M. T. Bowers 

4:15 668. Inducing transitions between 

states as a means of refining structures 

obtained from ion mobility measurements. 

D. E. Clemmer 

POLY 

Division of Polymer 

Chemistry 

K. Kiick, J. Linhardt, and G. Tew, 





Combating Disease (see CARB, Mon) 


Property Law: Patents, Trade 

Secrets, and Trademarks (see CHAL, 

Tue) 

Undergraduate Research Posters: 

Polymer Chemistry (see CHED, Mon) 



Applications (see COLL,Sun,Mon, 

Tue, Wed, Thu) 


Scholars Award Symposium (see 

ORGN, Tue) 

Nanoscaled Materials for Drug 

Delivery and Diagnostic Applications 

(see ORGN, Wed) 


POLY/PMSE Plenary Lecture and 

Award Reception, 5:30 PM: Wed 


Section D 


Otis 

From Molecules to Macromolecules: 

Towards Self-Assembling Materials 

C. Tang, P. Iovine, Organizers 

J. Lavigne, Organizer, Presiding 

PHYS/POLY 


8:30 1. Polycatenation under kinetic and 

thermodynamic control. J. F. Stoddart, 

M. A. Olson, L. Fang, A. Coskun, 

A. N. Basuray 

9:00 2. Functional and responsive block copolymers. 

K. A. Cavicchi 

9:20 3. Utilization of molecular rotors to 

probe local dynamics in self-assembled 

block copolymer materials. 

J. D. Biberdorf, C. W. Cone, 

D. A. Vanden Bout, B. J. Holliday 

9:50 POLY/PMSE Poster Session and Intermission 





TECH–109

POLY TECHNICAL PROGRAM 

10:20 4. Gated molecular baskets and reactivity. 

J. D. Badjic,S.Rieth 

10:50 5. Supramolecular ionic networks. 

M. Grinstaff 

11:10 6. IL mPO nIL m – Ionic liquid-based 

triblock copolymers. J. Texter, K. Bian, 

R. Crombez 

11:30 7. Block copolymers as self-assembling 

building blocks for functional materials. 

R. B. Grubbs 

Section A 


Grand Ballroom D 

Polymers for Immunology and 

Immunotherapy 

Polymers for Vaccines and Immunotherapy 

D. Irvine, S. Little, Organizers, Presiding 

8:30 8. Polymers for immunology and immunotherapy. 

J. A. Hubbell 

9:00 9. Infection-mimicking polymers. 

D. Mooney 

9:30 10. Immunostimulating polyphosphazenes 

and their applications in vaccine 

delivery. A. K. Andrianov 


interbilayer-crosslinked multilamellar vesicles 

for vaccine delivery. J. J. Moon, 

H. Suh, M. Sohail, A. Bershteyn, S. Um, 

M. T. Stephan, B. Huang, D. J. Irvine 


10:40 12. Modulation of the tumor immunoinhibitory 

microenvironment with polymeric 

co-sustained delivery of small molecule 

inhibitors and cytokines. 

T. M. Fahmy, J. Park, S. Wrzesinski, 

R. Flavell 

11:10 13. Combining cell therapy and nanoparticle 

drug delivery: Chemical cell surface 

engineering on live cells using nanoparticles. 

D. J. Irvine 

11:40 14. Targeting dendritic cells with functionalized 

polyanhydride nanoparticles. 

B. R. Carrillo-Conde, 

A. Chavez-Santoscoy, E. Song, N. Pohl, 

M. J. Wannemuehler, B. Narasimhan 

Section B 


Grand Ballroom A 

Medical Applications of Polymers 

Faculty Entrepreneurship 

T. Jozefiak, N. Washburn, Organizers, 

Presiding 

8:30 15. Medicinal nanoengineering: Multifunctional 

polymeric nanoparticles for 

medical applications. O. C. Farokhzad 

9:00 16. Novel antibiotics: From design to 

the clinic. G. N. Tew 

9:30 17. Discovery and innovations of aspirin: 

From willow bark to polyaspirin. 

K. E. Uhrich 


10:30 18. Dendritic polymers for ocular 

wound repair: From concept to clinical 

use - the HyperBranch Medical Technology 

Story. M. Grinstaff 

11:00 19. Marine adhesive proteins and biologically 

inspired polymer mimics: Potential 

clinical applications. 

P. B. Messersmith 

11:30 20. Polymeric tissue sealants for surgical 

applications: The Cohera Medical 

story. E. J. Beckman 


110–TECH 

Section C 


Grand Ballroom E 

New Catalysis in Polymer Synthesis 

L. Jia, Organizer 

G. Coates, Organizer, Presiding 


8:35 21. New catalytic/initiating systems for 

ATRP. K. Matyjaszewski 

9:00 22. Catalytic copolymerization of ethylene 

with polar comonomers: Toward amphiphilic 

polyethylenes. J. Daigle, 

L. Piche, A. Arnold, J. P. Claverie 

9:25 23. Advanced catalysis in metal-catalyzed 

living radical polymerization: High 

catalytic activity for functional monomers 

and rising active iron catalysts. M. Ouchi, 

M. Sawamoto 

9:50 24. 1,3-Bis(2-pyridylimino)isoindolatocobalt(II) 

and ruthenium(II) complexes as 

mediators for radical polymerizations of 

acrylates and styrene. L. H. Gade 


10:45 25. Functional group tolerant polymerization 

catalysis. A. Berkefeld, 

D. Guironnet, B. Neuwald, P. Roesle, 

P. Wucher, T. Ruenzi, 

I. Goettker-Schnetmann, S. Mecking 

11:10 26. Synthesis of comb block copolymers 

with molecular weights in the millions 

and their assembly in the solid state. 

J. Yoo, M. B. Runge, N. B. Bowden 

11:35 27. Scalable production of end-group 

functionalized precision polyolefins via 

living coordinative chain transfer polymerization 

of ethene and �-olefins. 

J. Wei, R. Wickham, L. R. Sita 

12:00 28. Copolymerization of olefins with 

polar vinyl monomers. R. F. Jordan 

Section E 



General Topics in the Design and Synthesis 

of Polymers 

D. Garcia, Organizer 

I. Gorman, Presiding 

8:30 29. Isoconversional kinetic analysis of a 

novel triazole resin system for low-temperature-cure. 

I. E. Gorman, R. L. Willer, 

R. F. Storey 

8:50 30. Microwave-assisted MADIX/RAFT 

polymerization of acrylamido and vinyl 

ester monomers. D. Roy, A. Ullah, 


9:10 31. Synthesis of novel polymer/urea 

peptoid conjugates using RAFT polymerization. 

N. Ayres,X.Chen 

9:30 32. Unique thermo-induced sequential 

gel-sol-gel transition of responsive 

multiblock copolymer-based hydrogels. 

J. Hu, Z. Ge, Y. Zhou, Y. Zhang, S. Liu 

9:50 33. Synthesis of cyclohexylene ring 

containing semi-crystalline poly(arylene 

ether sulfones) (PAES). B. Zhang, 

S. Turner 

10:10 34. Investigations on different verdazyl 

derivatives for a controlled living 

radical polymerization. G. Rayner, 

D. M. Haddleton 


copolyesters containing triptycene units. 

Y. Liu, S. Turner 

10:50 36. Hydroxy-functional polysilanes by 

an acetal protecting group strategy. 

V. S. Reuss, H. Frey 

11:10 37. PEG-Copolymers with orthogonal 

terminal and in-chain functionalities. 

C. Mangold, F. R. Wurm, B. Obermeier, 

H. Frey 

11:30 38. Donor-acceptor polymers incorporating 

alkylated dithienyl benzothiadiazole. 

H. Zhou, L. Yang, W. You 

Section G 


Galleria 

POLY/PMSE Poster Session 


of Polymers 


9:30–11:00 

39. Optically transparent sulfur-containing 

semi-alicyclic polyimide with high refractive 

index. Y. Nakagawa,T.Ogura, 

T. Higashihara, M. Ueda 

40. Polymer electrolyte membranes based 

on cross-linked highly sulfonated 

multiblock copoly(ether sulfone)s. 

K. Nakabayashi, T. Higashihara, 

M. Ueda 

41. Solution processable oligo(phenylene 

thiophene) grafted polymethacrylate: 

New material design and synthesis for organic 

field effect transistor application. 

Z. Hu, E. Reichmanis 

42. Synthesis of poly(m-phenyleneisophthalamide) 

by direct polycondensation of 

isophthalic acid with m-phenylenediamine. 

C. Zhang, Y. Shoji, 

T. Higashihara, M. Ueda 

43. Synthesis of soluble polyacetylene derivatives 

by controlled radical polymerization. 

K. Luo, J. Rzayev 

44. Synthesis of novel polymer/urea peptoid 

conjugates using RAFT polymerization. 

X. Chen, N. Ayres 

45. Novel copolymers of some ring-substituted 

2-phenyl-1,1-dicyanoethylenes with 

4-fluorostyrene. G. B. Kharas, B. L. Hill, 

K. T. Flynn, N. H. Bajaj, Y. Bittar, 

M. R. Dow, S. Moloney, T. A. Nguyen, 

S. A. Pitts, C. A. Serret, J. Valadez, 

A. C. Vallejo 

46. Synthesis and cyclopolymerization of divinyl 

derivatives of �-amino-�-caprolactam. 

H. Tas, L. J. Mathias 

Section G 


Galleria 


New Catalysts in Polymer Synthesis 

G. Coates, L. Jia, Organizers 

9:30–11:00 

47. Effect of the branched xylene bridge of 

dinuclear constrained geometry catalysts 

on their catalytic performance in ethylene 

and styrene copolymerization. 

N. Thi Le Thanh, N. Thi Le Nhon, 

N. Thi Dieu Huyen, W. Lyoo, S. Noh 

48. Group transfer polymerization of N,Ndimethylacrylamide 

promoted by super 

Brønsted acid as an organocatalyst. 

K. Fuchise,A.Narumi,R.Sakai, 

T. Satoh, S. Kawaguchi, T. Kakuchi 

49. Biomimetic hematin catalyst for the synthesis 

of conductive polypyrrole in micellar 

nanoreactors. S. Ravichandran, 

A. Kokil, S. Nagarajan, J. Kumar, 

R. Nagarajan 

50. Anionic polymerization with monomer 

activation: Synthesis of homo and copolymer 

based on epichlorohydrin. 

S. Doutaz, A. Deffieux 

51. Enzymatic ring-opening polymerization in 

a continuous-flow system. 

J. H. Wosnick, S. Faucher, L. Pereira 

52. Investigation of steric and electronic factors 

in palladium aryl sulfonate phosphine 

ethylene polymerization catalysts. 

L. Piche, J. Daigle, R. Poli, J. Claverie 

Section G 


Galleria 



Immunotherapy 

D. Irvine, S. Little, Organizers 

9:30–11:00 

53. Cytosolic delivery mediated via electrostatic 

surface binding of mRNA to degradable 

lipid-coated polymeric nanoparticles. 

X. Su, D. Kavanagh, D. J. Irvine 

54. Transcutaneous delivery of plasmid DNA 

and degradable polymer nanoparticles 

from multilayer-coated microneedle arrays. 

P. C. DeMuth, P. T. Hammond, 

D. J. Irvine 

55. Micro-patterning of T cell-antigen presenting 

cell pair arrays for high-throughput 

study of immunological synapses. 

H. Jung, M. Kim, J. Choi, J. S. Katz, 

M. Kim, J. Doh 

56. Assessment of multicellular T-T interactions 

using cell-laden PEG-hydrogel microwells. 

M. Kim, M. F. Krummel, J. Doh 

57. Synthesis and characterization of lipidcoated 

micro- and nano-particles co-displaying 

antigen and adjuvant as dosesparing 

vaccine delivery vehicles. 

A. Bershteyn, D. J. Irvine 

58. Calcium-alginate hydrogels as a calcium 

source for immunomodulation. G. Chan, 

D. Mooney 

59. Relationship of vaccine efficacy to the kinetics 

of DC and T cell responses induced 

by PLG-based vaccines. O. Ali, 

E. Doherty, D. J. Mooney, D. Emerich 

60. Programming dendritic cells in situ for 

tolerogenic immunotherapy. R. Sands, 

C. Verbeke, E. Silva, T. Kawai, D. Mooney 

61. Synthesis and characterization of antibody-nanoparticle 

conjugates for locally 

sequestered tumor immunotherapy. 

B. Kwong, D. J. Irvine 

62. Surface functionalization of lymphocytes 

as chemotherapeutic controlled release 

carriers. B. Huang, D. J. Irvine 

63. Guided migration of T cells on nanoscale 

ridge/groove patterned surfaces. 

K. Kwon, W. Jeong, J. Choi, K. Song, 

K. Suh, J. Doh 

Section F 


Webster 

Memorial Symposium in Honor of H. Benoit: 

Scattering and Soft Matter Characterization 

R. Borsali, G. Hadziioannou, Organizers, 

Presiding 

1:45 Introductory Remarks by R. Borsali & 

G. Hadziioannou 

2:00 64. Polymer monolayer dynamics by 

capillary wave scattering. H. Yu 

2:30 65. Conformations and dynamics of 

ring and linear polymer melts from molecular 

dynamics simulations. D. Y. Yoon, 

C. Jeong, K. Hur, S. Y. Reigh, 

R. G. Winkler, N. Lacevic, R. H. Gee 


4:00 66. Application of random phase approximation 

for scattering in crosslinked 

polymers. W. Wu 






consent from ACS.

4:30 67. Self assembling branched macromolecular 

materials based on poly(styrene-b-isoprene) 

macromonomers. 

H. Harris, K. Fischer, M. Schmidt, 

P. J. Lutz 

AkzoNobel Award in Outstanding Graduate 

Research in Polymer Chemistry in Honor of 

Haifeng Gao Sponsored by PMSE, 

Cosponsored by POLY 


Section A 




Immunotherapy 

Immunomodulation for Therapy and the 

Host Response to Polymeric Biomaterials 

D. Irvine, S. Little, Organizers, Presiding 

1:30 68. Polymers for immunology and immunotherapy. 

W. Saltzman 

2:00 69. Immunomodulatory biomaterials. 

J. E. Babensee 

2:30 70. Investigating the effects of anti-inflammatory 

drugs on material biocompatibility 

by in vivo fluorescent imaging. 

T. Dang, K. M. Bratlie, S. R. Bogatyrev, 

X. Y. Chen, D. Chhabra, R. Langer, 

D. G. Anderson 


3:20 71. In vivo assembly of endothelialized 

modules in allogeneic animals for tissue 

engineering. R. Gupta, 

M. D. Chamberlain, M. V. Sefton 

3:50 72. Rationally designed biomimetic delivery 

system for immunosuppression. 

S. R. Little, S. N. Rothstein, 

S. Jhunjhunwala 

4:20 73. In vivo fluorescence imaging of cathepsin 

and macrophage activity for determining 

biocompatibility of a chemically 

modified alginate library. K. Bratlie, 

T. Dang, A. Vegas, T. Vietti, S. Lyle, 

R. Langer, D. Anderson 

4:40 74. Novel cationic polymer coatings to 

regulate foreign body responses. M. Ma, 

W. F. Liu, R. Langer, D. G. Anderson 

Section B 




Panel Discussion on Academic 

Entrepreneurship 


Presiding 

1:30 75. Gels in biology. G. M. Whitesides, 

R. Derda, A. Laromaine 

2:00 76. Clinical biomaterials and the faculty 

entrepreneur. G. Prestwich 


3:00 Panel Discussion on Academic Entrepreneurship: 

Intellectual Property, 

D. Herritt 


Out-Licensing to Pharma/ 

Biotech B. Pratt 


Government Funding 

Sources. A. Kurtz 


VC Funding Sources. 

K. Bitterman 


Regulatory Issues. 

S. Koepke 


Section C 






1:30 77. Designed center-surface and center-center 

cooperative effects in the catalytic 

syntheses of new polymer architectures. 

T. Marks 

1:55 78. Controlling the architecture and 

functionality of heterogeneous polymerizations 

with renewable monoterpenes. 

R. T. Mathers, J. M. Delancey, 

M. D. Cavazza 

2:20 79. New palladium-based catalytic system 

for nearly alternating ethene/norbornene 

copolymerization with living 

characteristics. Y. Chen, A. Sen 


3:15 80. New octahedral catalysts for the 

isoselective polymerization of 1-hexene 

and propylene. M. Kol 

3:40 81. Recent advances in olefin block copolymers: 

Polydispersity, phase behavior, 

and photonic polyethylene. P. D. Hustad, 

J. D. Weinhold, B. G. Landes, 

P. L. Roberts, E. Garcia-Meitin, 

G. R. Marchand 

4:05 82. Orthogonal control of butyl and 

long branching in linear low density polyethylene 

through tandem catalysis. 

E. D. Schwerdtfeger, C. J. Price, J. Chai, 

S. A. Miller 

4:30 83. Latent ruthenium (II)-based photocatalysts 

for ring-opening metathesis polymerization. 

M. R. Buchmeiser, 

D. Wang, U. Decker, C. Kühnel 

Section D 


Otis 



C. Tang, J. Lavigne, P. Iovine, Organizers 

M. Bockstaller, Presiding 

1:30 84. Functional nanostructures from the 

self-assembly of metal-containing block 

copolymers. I. Manners, G. R. Whittell 

2:00 85. Supramolecular polymers from 

�-amino-�-caprolactam, a bio-based material. 

E. Tarkin-Tas, L. J. Mathias 

2:20 86. Side-chain cobalticinium polymers: 

A new class of organometallic polymers. 

L. Ren, C. G. Hardy, D. Doxie, C. Tang 

2:40 87. Macromolecular assemblies of organoboron 

block copolymers. 

J. N. Cambre, D. Roy, A. P. Bapat, 



3:40 88. Interfacing micro with nano: The 

role and potential of biomolecular architectures. 

A. M. Hung, J. N. Cha 

4:10 89. Toward cucurbit[8]uril-mediated 

supramolecular polymerizations in water. 

J. M. Zayed, O. A. Scherman 

4:30 90. Luminescent properties of boron 

complexes arising from polymer and molecular 

solid assemblies. G. Zhang, T. Liu, 

R. E. Evans, J. Lu, C. L. Fraser 


Section E 



General Topics in the Characterization of 

Polymers 


W. Feng, Presiding 

1:30 91. Multi-technique investigation of 

electrodeposited polythiophene films. 

W. Feng, D. D. Mastrogiovanni, 

A. S. Wan, L. S. Wielunski, E. Garfunkel 

1:55 92. Synthesis and multi-detector GPC 

characterization of PMMA star polymers. 

J. A. Burns, D. M. Haddleton 

2:20 93. Attofarad capacitance measurement 

on organic thin films with scanning 

microwave microscopy. S. Wu,J.Yu 

2:45 Poly/PMSE Poster Session and Intermission 

3:30 94. Evolution of microstructure during 

strain recovery of a shape memory liquid 

crystalline elastomer. K. A. Burke, 

P. T. Mather 

Section G 


Galleria 




Cosponsored by PMSE ‡ 

P. Iovine, C. Tang, J. Lavigne, Organizers 

2:30–4:00 

95. Guided organization of �-DNAs into microring-arrays 

from liquid capillary microbridges. 

M. Byun, S. Hong, J. Cho, Z. Lin 

96. Triply-responsive organoboron block copolymers. 

D. Roy,J.N.Cambre, 


97. Strong silica aerogels crosslinked with 

polynorbornene via ring opening metathesis 

polymerization (ROMP). 

D. Mohite, Z. Larimore, N. Leventis, 

C. Sotiriou-Leventis 

98. Amphiphilic block copolymer micellesbased 

multifunctional ratiometric fluorescent 

chemosensor for Hg(II) ions and pH. 

J. Hu, S. Liu 

99. Organic single-crystal Schottky solar 

cells. J. Lim, S. Ferdous, A. L. Briseno 

100. Observation of reversible block copolymer 

micellization by NMR relaxation. 

G. M. Wilmes,D.J.Arnold, 

K. S. Kawchak 

101. Preparation and characterization of 

temperature-responsive amphiphilic 

poly(vinylacetate)-b-poly(n-isopropylacrylamide) 

diblock copolymer micelles. 

E. Helvacioglu, C. Ozguc, S. Sen, 

N. Nugay, T. Nugay 

102. Electronic properties of substituted anthradithiophene 

derivatives. F. Liu, 

A. L. Briseno 

103. Photon gate transistors based on tetrasubstituted 

pyrene starburst semiconductors. 

J. Timmons, F. Liu, 

A. L. Briseno 

104. Synthesis and characterization of supramolecular 

polymer networks via ionic 

interactions. X. Lin, M. Wathier, B. Suki, 


Section G 


Galleria 



N. Washburn, T. Jozefiak, Organizers 

2:30–4:00 

105. Cell attachment materials for combination 

of RGDS and �-strand peptide. 

M. Wada, M. Yamamoto, Y. Tabata, 

Y. Hirano 

106. Designing composite gels combining 

rigid rod and random coil polymer architecture. 

P. D. Hamilton, H. Du, N. Ravi 

107. Attachment of �-sheet peptides to 

modify the rheological properties of hyaluronic 

acid. A. N. Elder,N.M.Dangelo, 

S. C. Kim, N. R. Washburn 

108. Synthesis of sterically stabilized hyaluronic 

acid microspheres for use as antibody 

delivery vehicles. J. E. Prata, 

T. A. Barth, N. R. Washburn 

109. Slow-Degrading salicylate-based poly- 

(anhydride ester) microspheres for undelayed 

and sustained drug delivery. 

R. Rosario-Meléndez,K.E.Uhrich 

110. Oligoethyleneimine-functionalized 

nanoscale amphiphilic macromolecules 

for intracellular delivery of nucleic acids. 

S. M. Sparks, C. L. Waite, A. M. Harmon, 

C. M. Roth, K. E. Uhrich 

111. Salicylate-based poly(anhydride-esters): 

A dual system for the delivery of fibroblast 

growth factor-2 and the suppression 

of inflammation. 

R. L. Delgado-Rivera 

112. Polymeric chloroquine derivatives for 

nonviral gene delivery. H. Liu, 

C. M. Jewell, D. J. Irvine 

113. Inhibition of in vivo lung tumor growth 

by prolonged local delivery of hydroxycamptothecin 

using poly(ester-carbonate). 

S. T. Yohe, J. A. Kaplan, 

J. A. Wolinksy, R. Liu, J. Walpole, 

L. R. Chirieac, Y. L. Colson, 


114. Dual functional polyelectrolyte multilayer 

(PEM) film: Microbicidal and anti-inflammatory 

drug releasing. S. Wong, 

J. Veselinovic, R. A. Rosario, 

K. Timachova, A. M. Klibanov, 

P. T. Hammond 

115. Synthesis of biocompatible caprolactone 

based polyurethanes and their use 

in the manufacturing of scaffolds for tissue 

engineering applications. R. E. Solís, 

J. San Román 

116. Porous tissue engineering scaffolds by 

solvent extraction for sol-gel polymerization. 

H. W. Lippincott, D. Schmidt 


Section C 






8:00 117. New catalytic strategies for monomer 

and polymer synthesis. 

R. M. Waymouth, J. L. Hedrick, 

M. K. Kiesewetter, E. T. Kiesewetter, 

K. Son 

8:25 118. Silylium-catalyzed polymerization 

of naturally renewable butyrolactonebased 

vinyl monomers. G. M. Miyake, 

Y. Zhang, E. Y. Chen 

8:50 119. Polymerization catalysis towards 

poly(�-peptoid)s. D. Zhang,L.Guo 

9:15 120. Stereoselective Group 4 initiators 

for the one-pot synthesis of multiblock 

stereocomplexed polylactides. 

M. G. Davidson, S. D. Bull, T. R. Forder, 

M. D. Jones, C. J. Frankis 


10:10 121. Polymerization of �-lactones using 

molecular and supported rare-earth 

catalysts. C. M. Thomas, N. Ajellal, 

J. W. Kramer, G. W. Coates, R. M. Gauvin 

10:35 122. Supported catalyst and combinatory 

catalyst: Strategy for improving 

catalytic activity and product selectivity 

of carbon dioxide copolymer. Y. Dong, 

Z. Li, X. Wang,F.Wang 

11:00 123. Bimetallic catalysts for CO 2- cyclohexene 

oxide copolymerizations. 

C. K. Williams, M. R. Kember, A. J. White 





POLY 

TECH–111


11:25 124. Asymmetric catalysts for helixsense 

selective carbodiimide polymerizations. 

B. M. Novak, 

J. Budhathoki-Uprety, J. B. Clark, 

J. D. Desousa, J. G. Kennemur, 

T. Hong-Zhi, G. Tian 

Section D 


Otis 



J. Lavigne, P. Iovine, Organizers 

C. Tang, Organizer, Presiding 


8:30 125. Self-assembling bioactive materials. 

S. I. Stupp 

9:00 126. TEThER: A flexible mix and match 

system for protein-based biotemplating. 

A. P. Schoen, S. C. Heilshorn 

9:20 127. Hierarchically ordered structures 

enabled by evaporative self-assembly: 

From conjugated polymers, polymer 

blends to diblock copolymers. Z. Lin, 

M. Byun, W. Han 


10:20 128. Self-assembly with organoboron 

polymers. F. Jaekle 

10:50 129. Block molecular brushes in solution-state 

self-assembly: Nanoscopic 

precursors with increasing complexity. 

Z. Li, J. Ma, C. Cheng, K. L. Wooley 

11:10 130. Programming and regulating 

self-assembly processes of block copolymers 

towards the formation of anisotropic 

nanostructures. H. G. Boerner, 

H. Kuehnle 

11:30 131. From molecules to materials. 

C. Nuckolls 

Section A 




Immunotherapy 

Polymeric Model Systems for Cellular 

Immunology, and Polymers for Vaccines 

and Immunotherapy 

S. Little, Organizer 

D. Irvine, Organizer, Presiding 

8:30 132. Dendritic cell motility in microfluidic 

chambers. D. A. Hammer, 

B. A. Ricart, C. A. Hunter, B. John 

9:00 133. Polymer-based micro/nano systems 

for the mechanistic study of T cell 

biology. J. Doh 

9:30 134. Target geometry recognition by 

macrophages. N. S. Doshi, S. Mitragotri 


10:20 135. Injectable cellular “Backpacks” 

lead to cell aggregate self-assembly. 

A. Swiston, J. Gilbert, D. Irvine, 

R. Cohen, M. Rubner 

10:40 136. Sterilization of PLG particles by 

g-irradiation does not impair their potency 

for vaccine delivery. S. Jain, 

P. Malyala, M. Pallaoro, M. Giuliani, 

H. Petersen, D. T. O’Hagan, M. Singh 

11:00 137. High-throughput screening and 

characterization of polymer nanoparticle 

adjuvants. L. K. Petersen, C. Sackett, 

M. Wannemuehler, B. Narasimhan 


112–TECH 

Section B 




Controlled Delivery of Therapeutics and 

Imaging Agents 


S. Little, Presiding 

8:30 138. Nanostructured materials for potential 

biomedical applications prepared 

by controlled radical polymerization. 

K. Matyjaszewski 

9:00 139. Investigation of core-degradability 

of shell crosslinked nanoparticles toward 

controlled release of guest molecules. 

S. Samarajeewa, R. Shrestha, Y. Li, 

K. Shanmuganandamurthy, K. L. Wooley 

9:20 140. H-gemcitabine: An autocatalytic 

drug delivery vehicle for treating cancer. 

N. Murthy 


10:20 141. Multifunctional imaging nanocarriers 

for angiography and personalized 

medicine. R. Bellamkonda 

10:50 142. Engineering the surface of magnetic 

nanoparticles by adsorption of double 

hydrophilic block copolymers for biomedical 

application. S. Louguet, 

C. Schatz, R. Epherre, S. Mornet, 

E. Duguet, S. Lecommandoux 

11:10 143. Controlled protein release from 

aptamer-decorated hydrogels. 

B. Soontornworajit, J. Zhou, Y. Wang 


of encapsulated sirolimus in bioabsorbable 

particles. V. Davé, P. Twaddle, 

R. Kataria, N. Cowley, H. Cui, A. Nathan 

Section F 


Webster 



G. Hadziioannou, R. Borsali, Organizers 

R. Stein, Presiding 

8:30 145. Tribute to Professor Henri C. Benoît: 

Structure and dynamics of block copolymer 

micelles in oil. S. Choi, 

T. P. Lodge, F. Bates 

9:00 146. Temperature tunable micellization 

of polystyrene-block-poly(2-vinylpyridine) 

at Si–ionic liquid interface. H. Lu, D. Lee, 

T. P. Russell 

9:30 147. Macromolecular design of semiconductive 

polymers towards thermodynamically 

stable organic photovoltaic active 

materials and devices. 

G. Hadziioannou, H. CRAMAIL, 

E. Cloutet, C. Brochon, G. Fleury, 

L. Hirsh, L. Vignau, G. Wantz 


10:30 148. Hybrid glycopolymers self-assemblies. 

I. Otsuka, K. Aissou, 

S. Ortega-Murillo, C. Travelet, S. Halila, 

S. Fort, C. Rochas, R. Borsali 

11:00 149. Polymers for microelectronics. 

G. C. Willson 

11:30 150. Influence of macromolecular architecture 

on the micellization of block 

copolymers within homopolymer matrices. 

E. Pavlopoulou, K. Chrissopoulou, 

S. H. Anastasiadis, G. Portale, W. Bras, 

H. Iatrou, S. Pispas, N. Hadjichristidis 

Section E 




Polymers 


K. Kiick, Presiding 

9:00 151. Main-chain liquid crystalline elastomers 

as shape memory polymers. 

K. A. Burke, P. T. Mather 

9:25 152. Characterization of water dynamics 

and membrane interactions in midblock-sulfonated 

triblock copolymers using 

2 H NMR spectroscopy. 

S. K. McIntyre,T.M.Alam,H.D.Moore, 

T. Saito, M. A. Hickner 

9:50 153. Effect of morphology and crystallinity 

on enzymatic degradation of poly(ecaprolactone). 

N. Vasanthan, 

G. Sekosan 


11:00 154. Structure, composition, and free 

polymer content of polymer-grafted 

nanoparticles by size exclusion chromatography. 

M. N. Tchoul, H. Dong, 

J. Pietrasik, W. Chaładaj, 

K. Matyjaszewski, R. A. Vaia, J. Jurczak 

11:25 155. Eelectrospun syndiotactic polystyrene 

fibers: Solvent-induced crystallization. 

Y. Cheng, C. Wang 

Section G 


Galleria 



Towards Self Assembling Materials 


9:30–11:00 

156. Synthesis and well-controlled polymerization 

of side-chain ferrocene acrylate 

polymers using atom transfer radical polymerization. 

C. G. Hardy, 

T. C. Tamboue, L. Ren, C. Tang 

157. Controlled polymerization of rosin-derived 

monomers: A new class of renewable 

polymers. Y. Zheng, K. Yao, 

D. Chandler, S. Lee, C. Tang,J.Wang, 

C. Wang, F. Chu 

158. Dansyl substituted poly(acrylate)s: Synthesis, 

host-guest complexation, and viscosity 

study at molecular and macroscopic 

levels. D. Pham,J.Wang, 

T. W. Kee, X. Guo, P. Clements, 

S. F. Lincoln, R. K. Prud’homme 

159. Synthesis and self-assembly of AB 2and 

ABC-type miktoarm star polymers. 

K. Khanna, R. Sharma, S. K. Varshney, 

A. Kakkar 

160. New morphologies prepared from stereocomplex 

of amphiphilic helical 

polypeptides. M. Ueda,A.Makino, 

T. Imai, J. Sugiyama, S. Kimura 

161. Synthesis of size controlled, functional 

hollow nanoparticles via photopolymerization 

and self-assembly of random copolymers. 

A. Honglawan,S.Yang, 

R. G Karunakaran 

162. Physical vapor transfer growth of organic 

single crystals for optoelectronic 

applications. F. Liu, S. Fakhouri, 

A. L. Briseno, M. Muthukumar 

163. Self-assembled “diamond like” structure 

of biodegradable block copolymers. 

B. Sannigrahi,K.P.Pemawansa, 

J. Doss, I. M. Khan 

164. Applications of a boronate ester coordination 

polymer for sensing and storing of 

benzene. J. E. Link,L.M.Lanni, 

J. Southwell, B. M. Rambo, J. J. Lavigne 

165. Reversible self-assembly of (2,5-bis(dodecyloxy)-1,4-phenylene)bis(ethyne-2,1diyl)diferrocene 

by H-� interaction: A 

physically linked ferrocene containing 

polymer. X. Chen,X.Bai, 

T. C. Sandreczki, J. R. Dias, L. Ouyang, 

Y. Liu 

Section G 


Galleria 



Polymers 


9:30–11:00 

166. MCR and image analysis integration 

with Raman spectral X,Y maps. D. Garcia 

167. Effect of water on gas permeability and 

viscoelasticity of perfluorinated and hydrocarbon 

type ionomer membranes at 

elevated temperature. A. Ohira, 

C. Kuroda, N. Takimoto 

168. Influence of teos hydrolysis products on 

the mechanical properties of solvent cast 

poly(methyl methacrylate) films. 

M. L. Ferguson, P. R. Watson 

169. New conjugated thiophene materials 

prepared from automers. A. Bolduc, 

Y. Dong, W. G. Skene 

170. EDOT and DAT comonomers for conjugated 

materials with tuneable photophysical 

properties. A. Bolduc, 

W. G. Skene 

171. Secondary structure transition in spider 

silk block copolymer monitored by thermal 

analysis and infrared spectroscopy. 

W. Huang, S. Krishnaji, X. Hu, D. Kaplan, 

P. Cebe 

172. New comb-shaped polystyrenes with 

syndiotactic backbones: Synthesis and 

structure. P. J. Lutz, M. Maaouni, 

J. Guenet, O. Gavat 

173. Determination of polyhedral oligomeric 

silsesquioxane (POSS) and nylon solubility 

parameters for predicting dispersion in 

polymer composites. R. D. Cook, Y. Wei, 

R. Misra, S. E. Morgan 

174. Surface modification of ground rubber 

tire with acrylic acid and its characterization. 

N. Tomar, S. Yagneswaran, 

D. Smith, J. R. Cellura 

175. Preparation and characterization of sulfonated 

Perfluorocyclobutyl (S-PFCB) 

membranes for hydrogen production. 

J. Park, N. Tomar, R. Jayasinghe, 

H. Colon-Mercado, M. Elvington, 

D. Hobbs, D. W. Smith 

176. Mesophase formation in poly(3-methyl- 

4-alkoxythiophene)s. D. Chalasani, 

B. L. Lucht, W. B. Euler 

177. Study on S/B multiblock copolymer 

synthesized by reactive extrusion structure 

characterization of the S/B copolymer 

and “bubble theory”. F. Hu, D. Wei, 

A. Zheng, W. Dai, X. Yuan 

178. Syntheses, characterization, and photophysical 

properties of new type of curcumin-containing 

hyperbranched polymer. 

H. Wang, Y. Wang, P. P. Lee, 

Y. Chen, C. Huang, J. H. Xin, 

K. K. Cheuk 


the Interface 











consent from ACS.


Section B 




Polymer Drugs 


Presiding 

1:30 179. Therapeutic polymers in medicine. 

S. R. Holmes-Farley 

2:00 180. Triggered release from and degradation 

of polymeric nanoparticles. 

A. Almutairi 


biomedical assessment of pH-sensitive 

brush polymer-drug conjugates. J. Zou, 

G. Jafr, E. Themistou, Y. Yap, 

P. Alexandridis, A. C. Ceacareanu, 

C. Cheng 


3:20 182. Cytokine-neutralizing gels for local 

control of inflammation. N. Washburn, 

L. Sun, S. A. Bencherif 

3:40 183. Polymer conjugates use as single 

agents and combination therapy: A versatile 

“technology platform” for tissue repair 

and cancer therapy. M. J. Vicent 

4:10 184. Rational design of multifunctional 

polymer therapeutics for cancer theranostics. 

R. Satchi-Fainaro 

Section C 






1:30 185. Catalyst-transfer condensation 

polymerization for precision synthesis of 

�-conjugated polymers and block copolymers. 

T. Yokozawa 

1:55 186. Toward the synthesis of endgroup 

functionalized regioregular poly(3alkylthiophene)s 

via the “living” Grignard 

Metathesis reaction. M. Jeffries-EL, 

D. L. Drochner 


3:00 187. Organocatalytic ring-opening polymerization 

of cyclic carbonates: Functional 

group diversity and application. 

J. L. Hedrick 

3:25 188. Controlled polymerizations of 

amino acid N-carboxyanhydrides by 

TMS-amine for the preparation of homo-, 

block- and brush-like polypeptides. 

H. Lu, J. Wang, Y. Lin, J. Cheng 

3:50 189. Combining catalytic ring-opening 

polymerizations for the preparation of 

functional hybrid macromolecules. 

M. Hillmyer 

4:15 190. High throughput techniques in catalysis. 

J. Yoder 

4:40 191. Carbonylative polymerization of 

heterocycles and heteroalkenes. L. Jia 

Section D 


Otis 




J. Tovar, Presiding 

1:30 192. DNA-Programmable assembly of 

colloidal crystals. C. A. Mirkin 

2:00 193. Directed mesoscale assembly of 

polymer nanostructures. J. M. Spruell, 

C. J. Hawker 

2:20 194. Crystallization in ordered polydisperse 

polyolefin diblock copolymers. 

S. Li, R. A. Register, B. G. Landes, 

P. D. Hustad, J. D. Weinhold 

2:40 195. Beyond the cage: Divergent assembly 

and electropolymerization of 

functionalized borasiloxanes. W. Liu, 

D. Lee 


3:40 196. Self-assembling macrocyclic bisureas. 

K. Roy, C. Wang, M. D. Smith, 

L. S. Shimizu 

4:10 197. Functional porous polymers and 

organic frameworks. J. Schmidt, 

A. Thomas, K. Thiel, C. Bleschke, 

S. Blechert, J. Weber 

4:30 198. Supramolecular copolymers. 

M. Weck 


Section E 



Nanoscience in Polymer Chemistry 

Synthesis Development 


D. Heller, M. Roll, Presiding 

1:30 199. Synthesis of metal-coordination 

polymer nanoshells with variable size and 

shape. X. Wang 

1:50 200. Asymmetrically-functionalized 

nanoparticles with orthogonal clickable 

functionalities. S. Zhang,G.Sun, 

S. Samarajeewa, K. Wooley 

2:10 201. Synthesis of CaCO3 and BaCO3 

hollow nanospheres templated by polymeric 

micelles with core-shell-corona 

structure. K. Nakashima, B. Bastakoti, 

S. Guragain, Y. Yokoyama, S. Yusa 

2:30 202. Versatile approach of azido-terminated 

nanoparticles: Click chemistry 

functionalization. F. M. Collette, 

P. Bertrand, V. Héroguez 

2:50 Intermission and POLY/PMSE poster 

session 

3:20 203. All-organometallic cylindrical micelles 

from polyferrocenylsilane blockcopolymers. 

L. Chabanne, G. B. Joe, 

M. A. Winnik, I. Manners 


well-defined polylactide nanoparticles by 

thiol-ene reaction in miniemulsion. 

J. Zou, P. Alexandridis, C. Cheng 

4:00 205. Nanobuilding blocks via bromination 

of polyhedral phenylsilsesquioxanes. 

M. F. Roll, J. W. Kampf, P. Mathur, 

R. M. Laine 

4:20 206. Novel synthesis approaches to 

well-defined mesoporous silica/polymer 

composites. L. Cao, L. Huang,M.Kruk 

4:40 207. Fabrication of nitroaromatic sensing 

devices via initiated chemical vapor 

deposition. C. D. Petruczok, S. Yang, 

A. Asatekin, K. K. Gleason, 

G. Barbastathis 

Section A 



Bioactive Polymers and Polymer Surfaces 

Bioactive Materials 

M. Grunlan, S. Lin-Gibson, Organizers 

O. T. Mefford, Organizer, Presiding 

2:00 208. Anisotropic colloids with controlled 

internal compartmentalization. 

J. Lahann 

2:30 209. Liquid-filled and hollow biodegradable 

capsules for biomedical applications. 

D. Lensen, D. M. Vriezema, 

J. C. van Hest 

2:50 210. Bonding of experimental polymeric 

ACP adhesives to human dentin. 

J. M. Antonucci, D. Skrtic 


3:50 211. Spontaneous formation of polymer-stabilized 

noble metal nanoparticles 

using catechol polymers. K. C. Black, 

Z. Liu, P. B. Messersmith 

4:20 212. Evaluating enzyme activity in polyfunctional 

polymer blends. P. Cipi, 

J. W. Rawlins 

4:40 213. Understanding structure-bioactivity 

relationship for Lanthanide containing 

polymers. S. S. Kelkar, K. Kizjakina, 

T. M. Reineke 

Section F 


Webster 



R. Borsali, G. Hadziioannou, Organizers, 

Presiding 

F. Bates, Presiding 

2:00 214. Polymeric bicontinuous microemulsions: 

Flexible templates for robust 

membranes. T. P. Lodge, B. H. Jones, 

B. Habersberger, F. S. Bates 

2:30 215. Phase behavior and coacervation 

of aqueous poly(acrylic acid)-poly(allylamine) 

solutions. M. Tirrell 


3:30 216. Interchain hydrogen-bonding and 

co-nonsolvency: Effect of polymers in 

aqueous or mixed aqueous solvents. 

C. C. Han,J.Hao,G.Yuan,H.Cheng 

4:00 217. Neutron scattering as an insight to 

polymer mixtures. J. S. Higgins, 

J. E. Lipson, R. P. White 

4:30 Tribute to H. Benoit and Closing Remarks. 

R. Pecora 

Section G 


Galleria 



Toward Self Assembling Materials 


2:30–4:00 

218. Hierarchically ordered structures enabled 

by evaporative self-assembly of 

confined comb block copolymer. 

M. Byun, N. B. Bowden, Z. Lin 

219. One-way shape memory properties of 

smectic A liquid crystalline elastomers 

triggered by dual transition temperatures. 

S. Ahn, P. Deshmukh, R. M. Kasi 

220. Modular synthesis of diblock copolymers 

for functional polymersomes. 

J. S. Katz, D. A. Hammer, J. A. Burdick 

221. New, low temperature, reversible photo-responsive 

liquid crystal polymer: Synthesis 

and testing. M. T. Petr, 

J. Soulages, B. Katzman, G. McKinley, 

P. T. Hammond 

222. Multicompartment/multigeometric micelles 

(MCM/MGM) from self-assembled 

diblock copolymer blend via kinetic control. 

J. Zhu, K. Zhang, Y. Lin, S. Zhang, 

K. Wooley, D. Pochan 

223. Bio-inspired polymer scaffolds from 

well-defined block copolymers of poly 

(glycidyl methacrylate) and poly (2-vinyl- 

4,4-dimethylazlactone). B. S. Lokitz, 

J. Messman, J. Hinestrosa, J. F. Ankner, 

S. M. Kilbey II 

224. Developing depsipeptides as biomimetic 

structures through secondary folding. 

M. Nguyen, M. Abdelmelek, 

J. Zhang, P. Ren, L. Suggs 

225. Nonlinear block polymers: Miktoarm 

star and linear-dendritic block polymers, 

and polymer-supported dendrimer synthesis. 

N. A. Lynd,J.N.Hunt, 

K. L. Killops, J. A. Chute, 

G. H. Fredrickson, E. J. Kramer, 

C. J. Hawker 

226. Photocurable polydiene-based block 

copolymers. V. F. Scalfani, T. S. Bailey 

227. Characterization of self-repairing boronate 

polymers. S. Daniel, J. J. Lavigne 

Section G 


Galleria 




2:30–4:00 

228. In vitro PLGA degradation in the 

NEVO sirolimus-eluting stent formulation. 

M. L. Johnson, G. Papandreou, 

H. Li, C. A. Maryanoff 

229. Study on in vitro degradation behavior 

of polydioxanone films. M. Deng, 

K. Hristov, M. Mooney 

230. Wear and oxidation resistant UHMWPE 

with improved mechanical properties for 

total joint implants. J. Fu, E. Oral, 

O. K. Muratoglu 

231. Shape memory polymers with PDMS 

soft segments. D. Zhang,S.L.Prukop, 

M. L. Giese, M. A. Grunlan 

232. Novel combination of triblock copolymer 

and microfluidic technique for porous 

scaffold fabrication. M. Marimuthu, 

K. Kandasamy, S. Kim 

233. Morphological study of porous sirolimus-containing 

poly(lactide-co-glycolide) 

discs for biomedical applications. 

A. J. Ro, R. Falotico, V. Dave 

234. Coagulation-inducing polymer hydrogel 

for hemostatic application. B. J. Casey, 

A. M. Behrens, Z. I. Tsinas, W. E. Kelley, 

J. R. Hess, Z. J. Wu, B. P. Griffith, 

P. Kofinas 

235. Innovative biomaterial synthesis to minimize 

post-implant inflammatory response. 

M. Marimuthu, K. Kandasamy, 

S. Kim 

236. Poly(vinyl alcohol) hydrogel for postsurgical 

adhesion prevention. Y. Jiang, 

A. Schädlich, R. Schöps, K. Mäder, 

T. Naolou, J. Kressler 

237. Biocompatibility of novel polyisobutylene-based 

thermoplastic polyurethanes. 

D. Cozzens, U. Ojha, M. Ruths, R. Faust 

238. Impact of ionizing radiation on the 

physicochemical properties of novel 

polymer therapeutics. S. Bodnar, 

J. Griffin, L. Gu, F. Halperin, 

A. M. Harmon, I. Harper, B. A. Langowski, 

L. Lavelle, R. Rosario-Melendez, 

S. M. Sparks, K. E. Uhrich 

239. Highly impact resistant surface 

crosslinked UHMWPE for total joints. 

E. Oral, O. K. Muratoglu 


the Interface 





PRES 


Polymer Chemistry Sponsored by CHED, 

Cosponsored by POLY and SOCED 



Hall C 

Sci-Mix 

G. Tew, J. Linhardt, K. Kiick, Organizers 

8:00–10:00 

54, 55, 60, 107, 112, 114. See previous listings. 






POLY 

TECH–113



Section D 


Otis 



C. Tang, J. Lavigne, Organizers 

P. Iovine, Organizer, Presiding 


8:30 240. Anion induced molecular self-assembly: 

A Texas-sized approach. 

H. Gong, B. M. Rambo, V. M. Lynch, 

E. Karnas, J. L. Sessler 

9:00 241. Quadruple hydrogen bonded 

telechelic supramolecular polymers. 

W. P. Appel, E. W. Meijer 

9:20 242. Effect of polymer grafting on the 

brittle-ductile transition in particle film assemblies. 

J. Choi, H. Dong, 

K. Matyjaszewski, M. R. Bockstaller 


10:20 243. Dissipative particle dynamic simulations 

of kinetics of block copolymer 

self-assembly. E. E. Dormidontova,Z.Li 

10:50 244. Mechano-responsive hydrogels 

with sacrificial bonds and hidden length. 

L. Xiao, C. Liu, X. Jia 

11:10 245. Tailoring nanostructure in highly 

elastic block copolymer-based hydrogel 

networks. C. Guo, T. S. Bailey 

11:30 246. Directing nanorod and nanosphere 

assembly in and on polymers. 

R. J. Composto 

Section A 




Materials for Drug Delivery and Tissue 

Engineering 

M. Grunlan, S. Lin-Gibson, Organizers 

O. T. Mefford, Organizer, Presiding 

8:30 247. Examining the intracellular trafficking 

mechanisms of glycopolymerbased 

DNA delivery vehicles. 

P. McLendon, K. Fichter, N. Ingle, 

T. M. Reineke 

9:00 248. Elastin mimetic, cell adhesive 

multiblock hybrid copolymers. 

S. E. Grieshaber, A. Farran, K. L. Kiick, 

X. Jia 

9:20 249. Creation of bioresorbable vascular 

prosthetics using electrospinning. 

K. Garg, G. L. Bowlin 


10:30 250. Surface and bulk properties of 

bis-phosphonate-modified natural polymers 

for bone regeneration. N. Pothayee, 

N. Pothayee, K. Sheets, A. Morgan, 

J. S. Riffle 

11:00 251. Cell penetrating peptide mimics 

prepared by ROMP. O. Tezgel,G.N.Tew 

11:20 252. Efficient synthesis of doxorubicin 

releasing brush polymers by graftthrough 

ROMP. J. A. Johnson, 

A. O. Burts, B. Lu, Y. Xia, D. A. Tirrell, 

R. H. Grubbs 

Section B 




Gels and Scaffolds 


Presiding 


114–TECH 

8:30 253. Structure and application of DNAsurfactant 

films for stem cell transfection. 

M. Tirrell 

9:00 254. Surface functionalized polymersomes 

for enhanced cell uptake and 

binding to biological targets. 

C. Bonduelle, A. Nazemi, R. Amos, 

E. Gillies 

9:20 255. Protein-engineered biomaterials: 

Translatable cell culture in 3 dimensions. 

N. H. Romano, S. C. Heilshorn 

9:50 256. Surface-modified electrospun fibers 

for the enhancement and control of 

neurite outgrowth. N. E. Zander, 

J. A. Orlicki, A. M. Rawlett, T. P. Beebe 


10:40 257. Ionic effects and self-assembly 

in the solution of the biopolymer aggrecan. 

F. Horkay 

11:10 258. Effect of macromer hydrophobicity 

and initiator chemistry on the free 

radical polymerization of PEG-diacrylate 

macromers. X. Dai, X. Chen, L. Yang, 

S. Foster, A. J. Coury, T. H. Jozefiak 

11:30 259. Cationic silicones for use in contact 

lens applications. J. K. Stanbro, 

D. Schorzman, J. F. Kunzler 

Section C 



Polymerizations and Polymer Modifications 

that Utilize Thiol-X Click Reactions 

Memorial to Charles Hoyle’s 

Photopolymerizations Research 

A. Lowe, H. Schlaad, Organizers 

C. Bowman, Organizer, Presiding 

A. Scranton, Presiding 


8:45 260. Cationic photopolymerization of 

systems pigmented with carbon black 

nanoparticles. A. B. Scranton, 

C. C. Hoppe, B. A. Ficek, H. Eom 

9:15 261. Functional polymers and polymerprotein 

conjugates prepared by RAFT 

and thiol-ene reactions. M. Li, H. Li, 

A. P. Bapat, P. De, B. S. Sumerlin 


10:15 262. Dual photo- and thermal cure of 

epoxy monomers. J. V. Crivello 

10:45 263. Surface engineering with thiolclick 

reactions. D. L. Patton, 

R. M. Hensarling, B. J. Sparks, 

S. B. Rahane, A. LeBlanc 

11:15 264. UV-photopolymerized thiol-ene 

networks for membrane CO 2 separation. 

L. Kwisnek, S. Nazarenko 

Section E 




Applications and Novel Structures 


M. Levine, Presiding 

8:30 265. Efficient one-step synthesis of 

mechanically strong, flame retardant 

polyurea aerogels. N. Chandrasekaran, 

S. Mulik, Z. Larimore, G. Churu, H. Lu, 

C. Sortiriou-Leventis, N. Leventis 

8:50 266. Conjugated polymer nanoparticles 

as platforms for efficient energy transfer. 

M. Levine, C. Cordovilla, T. Swager 

9:10 267. Dispersion of multi-walled carbon 

nanotubes in an aqueous medium by water 

dispersible- conjugated polymer 

nanoparticles. B. Baykal, G. Er, E. Bengu, 

D. Tuncel 

9:30 Intermission and POLY/PMSE poster 

session 

10:00 268. Hybrid core@soft shell particles 

as adhesive elementary building blocks 

for colloidal crystals. C. Deleuze, 

M. Delville, V. Pellerin, C. Derail, L. Billon 

10:20 269. Synthesis and characterization 

via solid state NMR of novel POSS-polyurethane 

nanohybrid elastomers. 

J. P. Lewicki, B. P. Mayer, 

K. Pielichowski, B. Janowski, 

R. S. Maxwell 

10:40 270. Optimization of deposition conditions 

of titanium dioxide in block copolymer 

templates. Q. Lou, 

P. S. Chinthamanipeta, D. A. Shipp 

11:00 271. Synthesis of magnetic nanostructured 

polymers and effect of their 

morphologies. Y. Zha, R. Maddiker, 

T. P. Russell, G. N. Tew 

Section F 


Webster 

Polymer Science and Energy: Current 

Directions and Future Opportunities 

Financially supported by Division of Polymeric 

Materials: Science & Engineering 

E. Coughlin, A. L. Briseno, Organizers, 

Presiding 

8:30 272. Light absorbing polymers for organic 

solar cells. I. McCulloch, 

M. Heeney, W. Zhang, S. Ashraf 

9:00 273. High performance tandem polymer 

solar cells. Y. Yang 

9:30 274. Organic photovoltaics: The path 

to higher performance. R. Gaudiana 


10:30 275. Routes for using polymers in 

photovoltaic applications. T. P. Russell 

11:00 276. Recent advances in polymers 

and small molecules for organic electronics. 

F. Wudl 

11:30 277. Organic and hybrid semiconductors 

for application in organic light emitting 

diodes (OLED) and photovoltaics 

(OPV). A. Sellinger 

Section G 


Galleria 



of Polymers 


9:30–11:00 

278. Ring-opening polymerization of �-caprolactone 

initiated by yttrium triphenolate 

and glycols with �,�-or�,�-dihydroxyl 

groups. J. Ling, J. Liu, Z. Shen 

279. Studies of �-cyclodextrin cross-linked 

polymer as water treatment agent. 

Y. Jiang, L. Jing, M. Jia, J. Jiang, 

H. Zhang 

280. Microfluidic device for producing 

monodisperse polymersomes with precise 

control. M. A. Stredney, 

K. Y. Huang,D.H.Adamson 

281. Investigating carborane cages in conjugated 

polymers. J. J. Peterson, 

M. Werre, Y. C. Simon, E. B. Coughlin, 

K. R. Carter 

282. Studies on �-cyclodextrin star polymer 

using as inhibitor of urease. W. Zhang, 

S. Shao, X. Xu, T. Li, X. Fu 

283. Synthesis of poly(vinyl acetate)-b-polystyrene 

copolymers by a combination of 

cobalt-mediated radical polymerization 

and RAFT polymerization. H. Jeon, 

Y. Yoo, K. Lee, J. Park, B. Ki, J. Youk 

284. Polysiloxanes containing polyhedral oligomeric 

silsesquioxane groups in the 

side chains: Synthesis and properties. 

D. Kim, H. Ryu, T. Ko, J. Lee 

285. Novel antibacterial hydrogels with triple 

antibacterial mechanism. H. Zhang, 

A. Sen 

286. Synthesis of poly(di(ethylene glycol) 

methyl ether methacrylate) macromonomers 

and functionalization via click 

chemistry. G. Li, D. M. Haddleton 

287. Polymerization of vinyl acetate catalyzed 

by cyclometalated Ru(II) compounds. 

J. Olvera, L. Alexandrova, 

R. Le Lagadec 

288. Polymerization of �-benzyl-L-glutamate 

N-carboxyanhydride by rare earth metal 

tris(borohydride) complexes. H. Peng, 

J. Ling, Z. Shen 

289. Synthesis and characterization of amphiphilic 

block copolymers for polymerosomes. 

D. Singh, S. Heinhorst, 

G. C. Cannon, S. E. Morgan 

290. Further understanding of mechanism of 

anionic polymerization through bulk polymerization 

of styrene at high temperature. 

Y. Guan,Y.Zheng,D.Zhou,A. Zheng, 

H. Xiao 

291. Kinetic investigation of the anionic bulk 

polymerization of styrene at high temperature. 

A. Zheng,D.Wei,M. Liu,H.Xiao 

Section G 


Galleria 




9:30–11:00 

292. Graphite nanoplatelet/epoxy composites: 

Functionalization, processing, and 

properties. D. H. Wang, L. Tan,Z.Wang, 

H. T. Hahn 

293. Switching endgroup polarity and grafting 

of hyperbranched polyetherketone to 

carbon nanofiber via an A2B monomer. 

D. H. Wang, L. Tan 

294. One-step polyimide aerogels from anhydrides 

and isocyanates. 

C. Chidambareswarapattar, 

C. Sotiriou-Leventis, N. Leventis 

295. Electrospun poly(lactide) nanofibers 

containing porphyrin additive. T. Xu, 

P. P. Lee, Z. Xue, Y. Chen, Y. Wang, 

H. Wang, C. Huang, J. H. Xin, 

K. K. Cheuk 

296. Dry sol-gel of p-X-C6H4SiH3 (X � H, 

CH3,CH3O, F, Cl) to organosilica p-X- 

C6H4SiO1.5 with Cp2Ni catalyst. M. Kim, 

J. Lee, H. Woo,K.Yang,M.Cho,Y.Ko, 

H. Li 

297. Synthesis and characterization of novolak 

phenolic resin layered silicate nanocomposite. 

S. Gang, S. Lee, I. Sung, 

C. Kim 

298. Bismaleimide reinforced silica aerogels 

via surface modification through incorporation 

of p-aminophenyltrimethoxysilane. 

S. L. Vivod, M. B. Meador, B. N. Nguyen 

299. Synthesis and characterization of functionalized 

graphene sheets by thermal 

exfoliation. A. J. Oyer,D.H.Adamson 

300. Fabrication of functional conductive 

nanofibers composed of �,�-bi-DNPpoly(2-methoxystyrene), 

polystyrene including 

single walled carbon nanotubes 

for studying material-cell interactions and 

gold nanoparticle/synthetic functional 

polymer nanofibers for nanobiosensors. 

O. Olubi, L. London, D. Gadi, 

B. Sannigrahi, M. Atteya, M. D. Williams, 

B. Baird, M. Maaza, I. Khan 


of Enzyme Activities Sponsored by BIOL, 

Cosponsored by COMP and POLY 






consent from ACS.


Section A 




Hydrogels for Tissue Engineering 

M. Grunlan, O. T. Mefford, Organizers 

S. Lin-Gibson, Organizer, Presiding 

1:30 301. Novel hydrogel networks utilizing 

self-assembly. G. N. Tew 

2:00 302. Self-assembling growth factor 

gradients in modular hydrogel scaffolds. 

D. L. Elbert, J. Roam, H. Xu, P. Nguyen 

2:30 303. Bioactive physical hydrogels for 

3D cell culture. B. Liu, W. Shen 


3:30 304. Engineering biopolymeric hydrogels 

for mechanically active tissues. 

K. L. Kiick 

4:00 305. PDMS star-PEG hydrogels for directed 

mesenchymal stem cell differentiation. 

D. J. Munoz-Pinto, C. Schoener, 

Y. Hou, M. Grunlan, M. S. Hahn 

Section B 




Interfaces and Combinatorial Methods 

N. Washburn, Organizer 

T. Jozefiak, Organizer, Presiding 

1:30 306. Combinatorial development of 

biomaterials for tissue engineering and 

drug delivery. D. G. Anderson 

2:00 307. Optimizing osteogenic signaling in 

mesenchymal stem cells using peptide 

derivatized materials. N. M. Moore, 

L. A. Smith, M. L. Becker 

2:30 308. Facile preparation of highly scattering 

metal nanopartical coated polymer 

microbeads for sensitive, in situ biomolecular 

detection and quantification in 

biomedical assays. J. C. Meredith, 

J. Lee, I. Gomez 


3:30 309. Polyelectrolyte multilayered implant 

coatings for the treatment of orthopedic 

device-associated infections. 

J. Moskowitz, M. Blaisse, R. Samuel, 

H. Hsu, M. Harris, S. Martin, J. Lee, 

M. Spector, P. Hammond 

4:00 310. Multi-functional coatings for metallic 

medical devices. Z. Song, 

T. Deisenroth 

4:20 311. Enhancing the performance of 

Bio-inspired adhesives. H. Chung, 

P. Glass, M. Sitti, N. R. Washburn 

Section C 





Memorial to Charles Hoyle’s Thiol-Ene 

Research 

A. Lowe, C. Bowman, H. Schlaad, 

Organizers 

A. Guymon, K. Anseth, Presiding 

1:30 312. Modeling cellular microenvironments 

using thiol-ene extracellular matrix 

mimics. B. D. Fairbanks, M. P. Schwartz, 

C. N. Bowman, M. Zaman, K. S. Anseth 

2:00 313. Applications of thiol-ene reactions 

in adhesives, sealants and coatings. 

J. Woods 

2:30 314. Thiol-X click chemistries: Scope 

and limitations of thiol-Michael, thiol-isocyanate, 

thiol-epoxide and thiol-halide reactions. 

A. Lowe 


3:30 315. Introduction to thiol-ene and thiolyne 

photopolymerizations. 

C. N. Bowman, B. D. Fairbanks, 

N. B. Cramer, K. S. Anseth 

4:00 316. Physical properties and photo-polymerization 

behavior of thiol-ene nanocomposites. 

K. Owusu-Adom, 

A. Guymon 

4:30 317. Thiol-Yne: A versatile tool for polymeric 

modification. J. W. Chan, 

C. E. Hoyle, A. B. Lowe 

Section D 


Otis 




L. Shimizu, Presiding 

1:30 318. Bioinspired synthesis of complex 

functional systems. V. Percec, 

B. M. Rosen 

2:00 319. Self-assembly of benzene-1,3,5tricarboxamides 

in polymeric systems. 

T. Mes, A. R. Palmans, E. W. Meijer 

2:20 320. Supramolecular polymer nanostructures 

derived from the amyloid-inspired 

self-assembly of optoelectronic 

peptides. S. R. Diegelmann, B. D. Wall, 

G. S. Vadehra, J. D. Tovar 

2:40 321. Nor-seco-cucurbit[n]uril molecular 

containers. W. Huang, P. Y. Zavalij, 

L. Isaacs 


3:40 322. Nanotubular assemblies of aromatic 

oligoamide crescents and macrocycles. 

B. Gong, J. Zhu, W. Feng, 

K. Yamato, J. Deng, L. Yuan 

4:10 323. Thermally induced morphology 

transitions for charged chain end diblock 

copolymers synthesized by RAFT. 

A. O. Moughton, J. P. Patterson, 

R. K. O’Reilly 

4:30 324. Using dynamic bonds to access 

stimuli-resposnive materials. S. J. Rowan 


Section E 


Stone 

9th International Biorelated Polymers 

Symposium 

Biorelated Polymer Delivery Systems 

C. Scholz, T. Fujiwara, R. Ottenbrite, 

Organizers 

A. Coury, Presiding 


1:40 325. Introduction to biorelated polymers 

for bioapplications. 

R. M. Ottenbrite 

2:10 326. Novel synthetic DNA and RNAi 

delivery systems. K. Anwer, J. Sparks, 

M. Matar, J. Fewell 


3:10 327. In vitro performances of multi-arm 

PEGylated head-tail type polycations as 

nonviral gene vector. A. Harada,K.Kono 

3:35 328. Complexes of cationic cylindrical 

brushes and DNA: Physicochemical characterization 

and application in gene 

transfection. F. Kuehn, E. Pietrowski, 

K. Fischer, H. Luhmann, M. Schmidt 

4:00 329. Polyphosphazene as protein stabilizing 

and immunostimulating agent for 

microneedle vaccine delivery systems. 

D. P. DeCollibus, A. Marin, 

A. K. Andrianov 

4:25 330. In vivo tracking of endothelial progenitor 

cells transplanted to rat ischemia 

limbs by use of novel cell-labelling MRI 

contrast agent. C. A. Agudelo, 

Y. Tachibana, A. F. Hurtado, 

N. Teramoto, H. Iida, T. Yamaoka 

Section F 


Webster 



E. Coughlin, A. L. Briseno, Organizers, 

Presiding 

1:30 331. Molecular understanding of the 

electronic and optical processes in organic 

solar cells: The challenges. 

J. Bredas 

2:00 332. Polymers and composites for efficient 

production storage and utilization of 

energy. P. J. Hotchkiss, A. Sharma, 

A. Haldi, W. J. Potscavage Jr., H. Li, 

P. B. Paramonov, S. A. Paniagua, 

S. C. Jones, B. Kippelen, 

N. R. Armstrong, J. Brédas, S. Barlow, 

P. Kim, J. W. Perry, S. R. Marder 

2:30 333. Structure-property relations in 

polymers for gas separations. 

B. D. Freeman, D. R. Paul, J. E. McGrath 


3:30 334. Polymer hydroxide exchange 

membranes for inexpensive fuel cells, 

wind/solar electricity storage, and solar 

fuel generation. Y. Yan 

4:00 335. Need for and the challenges of the 

perfect proton conducting polymer/composite. 

A. M. Herring 

4:30 336. Applications and future trends in 

polymer materials for green energy systems: 

From energy generation and storage, 

to CO 2 capture and transportation. 

E. J. Amis,G.S.Zafiris 

Section G 


Galleria 



M. Grunlan, S. Lin-Gibson, O. T. Mefford, 

Organizers 

2:30–4:00 

337. Thermoresponsive nanocomposite 

double network hydrogels. R. Fei, 

J. T. George, M. A. Grunlan 

338. Characterization of the enzyme-retting 

flax fibers. Y. Tian 

339. Investigating the effect of the length of 

alkyl chain on the antibacterial and hemolytic 

activities of oligoguanidines. D. Wei, 

Y. Zhang, D. Zhou, Y. Guan, A. Zheng 

340. Multiblock copolymers of poly(acrylic 

acid-b-styrene) containing peptides as a 

drug delivery platform. A. C. Greene, 

X. Jia, K. L. Kiick 

341. Rapid and robust sealing of plastic- 

PDMS interface at room temperature for 

disposable Lab-on-a-Chip device. 

W. Wu, L. Tang, N. Lee 

342. Simultaneous light-induced core degradation 

and drug release from nanoscopic 

star polymers prepared by an arm-first 

ROMP approach. A. O. Burts, 

J. A. Johnson, R. H. Grubbs 

343. Antimicrobial polypeptides prepared by 

combining the ring opening polymerization 

of N-carboxyanhydrides and click 

chemistry. A. C. Engler, A. Shukla, 

H. G. Buss, P. T. Hammond 

344. pH responsive polypeptides for siRNA 

delivery. A. C. Engler, D. K. Bonner, 

H. G. Buss, P. T. Hammond 

345. Fine-tuning of surface morphology in 

block copolymer thin films. J. Lee, 

S. Kim, K. Lee, Y. Kwark 

Section G 


Galleria 



of Polymers 


2:30–4:00 

346. Novel synthesis of isotactic polymer by 

free radical polymerization of cd substituted 

acrylate. H. Tanaka,M.Niwa, 

Y. Matsubara 

347. Polybenzoxazine-poly(2,5-benzimidazole) 

(PBOA�ABPBI) IPN membranes 

via a PPA Sol-Gel method for high-temperature 

PEM fuel cell applications. 

T. Ko, S. Kim, D. Kim, S. Choi, J. Park, 

H. Chang, J. Lee 

348. Synthesis and characterization of a 

phosphonated graft copolyimide. 

N. Srinate, S. Thongyai, P. Prasertham, 

R. Weiss 

349. Synthesis of symmetric and asymmetric 

polyimides containing benzonitrile groups 

for dielectric applications. D. Wang, 

J. K. Riley, S. P. Fillery, M. F. Durstock, 

R. A. Vaia, L. Tan 

350. Polymers from renewable and sustainable 

natural polyphenol: Use of curcumin 

and tetrahydrocurcumin in making polycarbonates, 

mixed-polycarbonates, and 

polymers having multiple bond types. 

F. Dasgupta 

351. Arm detachment and arm exchange reactions 

of star-like nanogels by dynamic 

covalent exchanges of alkoxyamine units. 

Y. Amamoto, M. Kikuchi, H. Otsuka, 

A. Takahara 

352. Solvent and temperature effect in the 

living ring opening e-caprolactone/ 

Cp 2ZrHCl polymerization. A. D. Asandei, 

G. Saha, C. P. Simpson 

353. In situ generation of activators via 

monomer addition for atom transfer radical 

polymerization. Y. khan,D.He, 

X. Chen, S. K. Noh, W. S. Lyoo 

354. Synthetic DNA analogs: Synthesis and 

characterization of adenine oligomer. 

K. H. Bouhadir, K. M. Usher, L. Abramian 

355. Generation of activators via monomer 

addition(GAMA) ATRP of MMA using ruthenium(III) 

catalyst. X. Chen,D.He, 

M. Khan, S. Noh, W. Lyoo 

356. Synthesis of macrocyclic polystyrene 

using intramolecular atom transfer radical 

coupling. E. Tillman, A. Voter 

357. Effect of hexafluorobenzene on the 

ATRP of polystyrene. P. D. Pickett, 

E. S. Tillman 


Section A 




Hydrogels for Tissue Engineering 

M. Grunlan, O. T. Mefford, Organizers 

S. Lin-Gibson, Organizer, Presiding 

8:30 358. Designing peptide hydrogels for 

cellular encapsulation and delivery: 

Progress towards engineered cartilage. 

J. Schneider, C. Sinthuvanich 

9:00 359. Effect of 3D hydogel scaffold 

modulus and topology on human bone 

marrow stromal cell fate. K. Chatterjee, 

S. Lin-Gibson, S. H. Parekh, N. M. Moore, 

M. T. Cicerone, M. F. Young, C. G. Simon 

9:20 360. Chemical and physical patterning 

of poly(ethylene glycol) hydrogels in 2D 

and 3D via photodegradation. 

A. M. Kasko, D. Y. Wong, D. R. Griffin, 

J. T. Patterson, J. Reed 






POLY 

TECH–115


10:30 361. Injectable, highly flexible and 

thermoresponsive hydrogels for mesenchymal 

stem cell proliferation and differentiation. 

Z. Li, J. Guan 

11:00 362. Photo-crosslinked PDMS star- 

PEG hydrogels: Fabrication and use as 

tissue engineering scaffolds. B. M. Bailey, 

Y. Hou, M. A. Grunlan 


novel photo-cross-linked hydrogels. 

M. A. Lackey, N. Sanabria-DeLong, 

A. J. Crosby, G. N. Tew 

Section B 



Frontiers in Polymer Characterization 

Scattering and Conjugated Polymers 

D. Waldow, D. Nelson, T. Seery, 

Organizers 

M. Dadmun, Organizer, Presiding 

8:30 364. Characterizing nanopatterned surface 

using X-ray reflectivity and grazing 

incident X-ray scattering. H. Lee, 

C. L. Soles, H. Ro, W. Wu 

9:00 365. Using neutron scattering to determine 

conjugated polymer: Fullerene miscibility 

and interfacial structure. W. Yin, 

R. Hegde, N. Henry, K. Xiao, J. Browning, 

M. Dadmun 

9:30 366. Dynamics of conjugated polymers 

in solutions: Neutron spin echo and quasi 

elastic studies. D. Perahia 

10:00 Intermission and POLY/PMSE Poster 

Session 

10:45 367. Dynamic infra-red spectroscopy 

of conjugated polymers. 

G. Arbuckle-Keil, F. Weston 

11:05 368. Dynamic light scattering applied 

to solutions that absorb light. T. A. Seery, 

M. DeMesa, K. Moon 

11:35 369. Light scattering and atomic force 

microscopy: Characterization of compatibilized 

polymer blends at a primarily undergraduate 

institution. D. Waldow 

Section C 





Thiol-Ene Polymerization Reactions 

C. Bowman, H. Schlaad, Organizers 

A. Lowe, Organizer, Presiding 

A. Guymon, Presiding 

8:30 370. New material platforms for biological 

and pharmacological applications. 

E. Amir, P. Antoni, L. Campos, N. Gupta, 

D. Damiron, C. J. Hawker 

9:00 371. Clicking renewable resources: 

Thiol-ene additions for the synthesis of 

monomers and polymers derived from 

plant oils and terpenes. M. A. Meier, 

O. Türünc, L. Montero de Espinosa, 

M. Firdaus 

9:20 372. Effect of organoclay functional 

group on photopolymerization behavior 

and properties in thiol-ene systems. 

S. Kim,A.C.Guymon 

9:40 373. Polyanhydrides from thiol-ene polymerizations. 

B. G. Rutherglen, 

R. A. McBath, G. Liddil, Y. Huang, 

S. K. Zorn, K. A. Murphy, C. W. McQuinn, 

D. A. Shipp 


10:40 374. Thiol-ene chemistry for the synthesis 

and modification of branched organosilicon 

polymers. D. Son, C. Rissing, 

L. Chen, T. Andersson 


116–TECH 

11:10 375. Reversible addition—fragmentation 

chain transfer for low stress thiolene/-yne 

networks. C. Kloxin, H. Park, 

T. Scott, C. N. Bowman 

11:30 376. Thiol-ene approaches to dendrimer 

synthesis. M. J. Robb, P. Antoni, 

L. M. Campos, M. I. Montanez, 

M. Malkoch, E. Malmstrom, C. J. Hawker 

11:50 377. Thiol-ene chemistry in miniemulsion: 

A new route towards 2-pack-in-1pot 

waterborne coatings? M. S. Ottink, 

R. A. Janssen, B. Klumperman 

Section D 


Otis 


of Polymers 


C. Lipscomb, Presiding 

8:30 378. Preparation of glycopolymers by 

CCTP and click chemistry. Y. Gou, 


8:50 379. Mechanically linked polymers. 

A. Y. Van Quaethem, P. Lussis, 

A. Duwez, J. Gohy, C. Fustin 

9:10 380. Development and characterization 

of new biodegradable triblock copolymers 

based on poly(vinyl esters). 

C. E. Lipscomb, M. K. Mahanthappa 

9:30 381. Synthesis of P(VDF-HFP) based 

triblock copolymers containing ionic liquid 

segments. C. Chanthad,K.Xu, 

Q. Wang 

9:50 382. Synthesis of fluorescent watersoluble 

polymers and their adsorption on 

functionalized surfaces. A. de Cuendias, 

M. A. O’Connell, F. Gayet, 

J. V. Macpherson, P. R. Unwin, 


10:10 383. Effect of cucurbit[n]uril on the 

morphology, solubility, and the photophysical 

properties of conjugated polymers 

in an aqueous medium. M. Artar, 

D. Tuncel 

10:30 384. Cationic amphiphilic random copolymers 

with potential ability of fixation 

of organic pollutant in soil. S. Yusa, 

M. Inoue, M. Doi, Y. Kamihashi, 

Y. Morishima 

10:50 385. Hyperbranched poly(ethylene 

glycol): A biocompatible, multifunctional 

polyether. M. Schömer, D. Wilms, 

H. Frey 

11:10 386. Luminescent organoboron block 

copolymers via RAFT polymerization. 

F. Cheng, F. Jäkle 

11:30 387. Controlled binary graft copolymerization 

of acrylamido monomers onto 

cellulose. K. C. Gupta 

Section E 


Webster 


Symposium 

Biorelated Polymer Engineered Systems 

T. Fujiwara, C. Scholz, R. Ottenbrite, G. 

Tew, K. Kiick, Organizers 

A. Guiseppi-Elie, Y. Nagasaki, Presiding 


8:40 388. Implantable polymeric biomaterials: 

From replacement body parts to tissue 

engineering. A. J. Coury 

9:10 389. Bioactive electroconductive hydrogels. 

A. Guiseppi-Elie, C. Kotanen 


10:10 390. Design of hybrid hydrogels with 

nanogel and liposomes as cross-linking 

domains. Y. Sekine, Y. Moritani, 

N. Morimoto, K. Akiyoshi 

10:35 391. Enhancing protein resistance 

and ion permeability of IPN hydrogels by 

incorporation of PMPC. J. Wang, X. Li 

11:00 392. Hierarchically structured, hyaluronic 

acid-based, BMP-2 releasing hydrogels 

for cartilage repair. A. K. Jha, 

M. Malik, R. L. Duncan, X. Jia 

11:25 393. Glycogen nano-ball for polysaccharide 

nanogel engineering. 

H. Takahashi, S. Sawada, K. Akiyoshi 

Section G 


Galleria 



Symposium 

C. Scholz, T. Fujiwara, R. Ottenbrite, 

Organizers 

9:30–11:00 

394. Anisotropic swelling behavior of the 

cornea and determination of its dynamics. 

M. Annaka, T. Matsuura, H. Ikeda 

395. Polyionic drug carriers by PLA stereocomplexed 

hydrogels. D. Abebe, 

T. Fujiwara 

396. Hyaluronic acid based, heparin decorated 

hydrogel particles for cartilage repair. 

X. Xu,J.Zhao,X.Jia 

397. Multifunctional dendrimer-nanocrystal 

hybrids as delivery vehicles. A. O. Ward, 

T. Fujiwara 

398. Surface modification using unique photoresponsive 

spiro dimers. D. L. Watkins, 

T. Fujiwara 

Section G 


Galleria 



of Polymers 


9:30–11:00 

399. Triptycene polyimides: A soluble class 

of polyimides with high thermal stability. 

S. A. Sydlik, Z. Chen, T. M. Swager 

400. From oligothiophenes to polythiophenes: 

Influence of molecular structure 

on crystalline behavior and transistor performance. 

L. Zhang, J. Timmons, F. Liu, 

A. L. Briseno 

401. Template polymerlization of conducting 

polymers using sulfonated poly(amic acids). 

S. Srisuwan, B. Somboonsub, 

M. A. Invernale, G. A. Sotzing, 

S. Thongyai, P. Praserthdam, D. Scola 

402. Thermally reversible cross-linkable terpolymer. 

B. Sharma, N. Tomar, D. Smith, 

C. norfolk, W. Dang 

403. Polymeric amidines via surfactant free 

emulsion polymerization. 

S. A. Pendergraph, A. J. Crosby, 

K. R. Carter 

404. Design and synthesis of nanoscale amphiphilic 

macromolecules with optimal 

binding properties to human scavenger 

receptor A: An investigation into the influence 

of stereochemistry and conformation. 

S. Hehir, N. M. Plourde, J. Griffin, 

P. V. Moghe, K. E. Uhrich 

405. 200 nm Spectral shift in poly(3,4-propylenedioxy)thiophenes, 

from blue to yellow. 

T. Dey, M. A. Invernale, 

Z. Buyukmumcu, G. A. Sotzing 

406. Characterization and surface grafting of 

thermally responsive carboxy functionalized 

PNIPAM nanogels synthesized via 

RAFT aqueous dispersion polymerization. 

M. J. Seeber, B. Zdyrko, J. Rieger, 

S. Boissé, C. Tsai, K. Kornev, I. Luzinov 

407. Synthesis of telechelic �,�-thiopolyisobutylene 

and polyisobutylene-based 

polythiourethanes. A. J. Magenau, 

T. R. Hartlage, R. F. Storey 

408. Rheology and biocompatibility study of 

reversible disulfide copolymeric hydrogels. 

H. Du, B. Mohr, M. Muthukumar, 

P. Hamilton, N. Ravi 

409. Alkyl halide polyisoprene chain ends 

with late and early transition metals. 

A. D. Asandei, H. S. Yu,C.P.Simpson 

410. 1,3-dimethylbutadiene radical polymerizations 

initiated from benzyl halides. 


Section G 


Galleria 




A. Lowe, H. Schlaad, C. Bowman, 

Organizers 

9:30–11:00 

411. Limitations of radical thiol-ene reactions 

for polymer-polymer conjugations. 

M. M. Stamenovic, S. P. Koo, 

A. R. Prasath, A. J. Inglis, 

C. Barner-Kowollik, T. Junkers, 

W. Van Camp, F. E. Du Prez 

412. Dual-stimuli sensitive nanogels fabricated 

by self-association of thiolated hydroxypropyl 

cellulose. J. Tan, R. Liu, 

Y. Huang 


Section A 




Antifouling/Antimicrobial Surfaces 

O. T. Mefford, S. Lin-Gibson, Organizers 

M. Grunlan, Organizer, Presiding 

1:30 413. Bacterial surfactant/polymer films 

and coatings based on bis[alkyl]sulphosuccinate 

esters. J. Texter, R. Amand, 

S. Rhoades, D. Clemens, P. Ziemer 

2:00 414. Antimicrobial thin film assemblies 

containing quaternary ammonium salts. 

J. C. Grunlan, G. Sukhonosova 

2:20 415. Novel dually functional zwitterionic 

polymers and their anti-biofouling 

properties. S. Colak,G.N.Tew 


3:00 416. Polymer multilayers for controlled 

antimicrobial delivery. A. Shukla, 

P. T. Hammond 

3:20 417. Single-step pulsed plasma polymerization 

of diphenyldiselenide and its 

antimicrobial activity. D. Bhattacharyya, 

R. R. Deshmukh, T. W. Reid, T. Mosley, 

R. B. Timmons 

3:40 418. Photopolymerized dimethacrylate 

polymers containing in situ generated silver 

nanoparticles. Y. Cheng, X. Zhang, 

D. N. Zeiger, N. J. Lin, J. M. Antonucci, 

S. Lin-Gibson 

4:00 419. Amphiphilic silicones prepared 

with branched PEO-silanes with siloxane 

tethers. R. Murthy, B. M. Bailey, 

C. Valentin-Rodriguez, A. Ivanisevic, 

M. A. Grunlan 

Section B 




Chromatography, Surfaces, and Interfaces 

D. Nelson, M. Dadmun, T. Seery, 

Organizers 

D. Waldow, Organizer, Presiding 






consent from ACS.

1:30 420. HPLC characterization of polymer 

beyond SEC: Temperature gradient interaction 

chromatography. T. Chang, 

S. Ahn, H. Lee 

2:00 421. Comprehensive structural characterization 

of macromolecules by automated 

2D chromatography. M. Gray, 

C. Silverman, P. Kilz 

2:20 422. Kinetics of assembly and structure 

of polymer brushes at the solid-fluid interface 

measured by phase modulated ellipsometry. 

S. Kilbey, J. Alonzo, 

J. Hinestrosa, C. Deodhar 


3:10 423. Surface plasmon resonance (SPR) 

methods in the characterization and analysis 

of polymer thin films. R. Advincula 

3:40 424. Confocal Raman microscopy for 

the in situ characterization of polymer adsorption 

into nanoporous silica in solution. 

B. Jeon, J. Lee, C. Y. Ryu 

4:00 425. Correlation of density functional 

theory calculations with transmission infrared 

spectroscopy of hydrated and dehydrated 

Nafion. M. Webber, N. Dimakis, 

D. Kumari, M. Fuccillo, E. S. Smotkin 

Section C 





Thiol-Ene Modifications and Thiol-Yne 

Polymerizations 

A. Lowe, Organizer 

H. Schlaad, C. Bowman, Organizers, 

Presiding 

1:30 426. Free-radical thiol-ene and thiolyne 

coupling as selective ligation tools for 

glycoconjugation. A. Dondoni 

2:00 427. Synthesis of biohybrid conjugates 

using thiol-ene click photochemistry. 

C. Diehl, H. Schlaad 

2:30 428. Combination of controlled radical 

polymerization and click reactions to obtain 

glycopolymers and their interactions 

with lectins. C. R. Becer,M.I.Gibson, 

D. A. Mitchell, D. M. Haddleton 

2:50 429. Novel functional polymers by terminal 

and pendant functionalizations via 

thiol-ene and thiol-polyene click reactions. 

B. Iván,V.Pálfi, G. Szarka 


3:30 430. Thiol-ene click chemistries for the 

formation of nanoparticles and encapsulation 

of bioactive cargo. 

A. E. van der Ende, J. Harrell, J. Katz, 

E. Harth 

4:00 431. “Thio-click” chemistry and microfluidics: 

Straightforward method towards 

macroporous and nonporous functional 

polymer beads. F. E. Du Prez, 

R. Prasath, M. Gokmen 

4:30 432. Synthesis of hyperbranched polymers 

via cobalt-catalyzed chain transfer 

and functionalization by thiol-ene click 

chemistry. K. A. McEwan, 


Section D 


Otis 


of Polymers 


N. Tomar, Presiding 

1:30 433. Amphiphilic block copolymers of 

poly(L-lactide) and poly(2-dimethylaminoethyl 

methacrylate): Exploring synthetic 

pathways. M. Kryuchkov, 

C. Detrembleur, G. Bazuin 

1:50 434. Modification of thermoplastic 

elastomer gels through nanoparticle addition. 

M. C. Berg, R. A. Mrozek, 

K. Strawhecker, J. Andzelm, 

T. Chantawansri, Y. Sliozberg, 

J. L. Lenhart 

2:10 435. Di-cationic mono-radical initiator 

to combine quasiliving carbocationic polymerization 

and atom transfer radical polymerization. 

Y. Zhu, R. F. Storey 

2:30 436. Design and synthesis of a novel 

biodegradable polymer for biomedical 

applications. A. L. Garle,S.Kong, 

B. M. Budhlall 

2:50 437. Effect of reactive diluents on thermally 

reversible cross-linked epoxy. 

N. Tomar, W. Deng, B. Sharma, 

C. Norfolk, D. Smith Jr 

3:10 438. Thermal stabilization of poly (acrylonitrile-co-1-vinylimidazole) 

melt-spun fiber. 

W. Deng, A. Lobovsky, N. Tomar, 

T. Wu, S. Iacono, S. Budy, W. Hoffman, 

D. W. Smith, Jr, T. Long 

3:30 439. Nanoscale vs. microscale gelation 

on surfaces of crosslinked polyurethane. 

C. Wang, W. Zhang, K. Wynne 


star-shaped poly(sodium styrenesulfonate) 

by atom transfer radical polymerization 

of ethyl styrene sulfonate. Y. Li, 

X. Yu, J. W. Mays, K. Hong 

4:10 441. Synthesis and thermogravimetric 

analysis of homo and copolymers of 

phosphonated norbornenes. 

G. J. Gabriel 


ionenes for anionic exchange membranes. 

X. Yuan, C. J. Cornelius 

Section E 


Webster 


Symposium 

Biorelated Polymer Applications 

T. Fujiwara, C. Scholz, R. Ottenbrite, 

G. Tew, K. Kiick, Organizers 

J. Kressler, Presiding 


1:40 443. Concentrating quaternary charge 

at polymer surfaces: Progress in polymer 

surface modifiers as a route to contact 

antimicrobial coatings. K. J. Wynne 

2:10 444. Modification of poly(glycerol adipate) 

and its surface activity. T. Naolou, 

K. Busse, M. Pietzsch, J. Kressler 

2:40 445. Biodegradable polypeptide-bpolylactide 

block copolymer micelles 

highly stabilized by polyion complex 

coating as drug carriers. Y. Ohya, 

S. Takeda, Y. Shibata, T. Ouchi, 

A. Maruyama 


3:35 446. Hydrolytic degradation of polyisobutylene 

and poly-lactide based 

multiblock copolymers. P. Kulkarni, 

U. Ojha, D. Cozzens, R. Faust 

4:00 447. Specific protein binding on phospholipid 

bilayer array corralled by nonfouling 

polymer brushes. Y. Iwasaki, 

K. Nakai, K. Morigaki 

4:25 448. Block-copolymers of polysiloxanes 

and polyoxazolines for biomedical 

applications. L. Theogarajan, N. Borjigin, 

M. Isaacman, A. Merrithrew 





Reception Cosponsored by PMSE ‡ and 

PRES Financially supported by Royal Society 

of Chemistry 

K. Kiick, Organizer, Presiding 

5:30 Networking 


6:20 449. Materials to program cells in situ. 

D. J. Mooney 

7:00 Awards Reception 


Section A 




Bioactive Surfaces 

O. T. Mefford, S. Lin-Gibson, Organizers 

M. Grunlan, Organizer, Presiding 

8:30 450. Protease adsorption and surface 

biocatalysis on charged immobilized substrates. 

B. E. Feller, J. T. Kellis, 

L. G. Cascao Pereira, C. R. Robertson, 

C. W. Frank 

9:00 451. Novel glycosurfaces by surfaceinitiated 

ATRP. A. Mateescu, J. Ye, 

R. Narain, M. Vamvakaki 

9:20 452. Modification the surface of polyethylene 

terephthalate film by UV-initiated 

grafting. H. Zhang, Y. Jiang 


10:00 453. Tunable interfaces and functional 

nano-objects derived from resilin-mimetic 

protein Rec1-resilin. N. K. Dutta, 

M. Y. Truong, S. Mayavan, 

N. Roy Choudhury, M. Kim, C. M. Elvin, 

A. J. Hill 

10:20 454. Rewritable bioarrays. 

J. S. Badyal 

10:40 455. Novel approach for visualizing 

polymer silica substrates using 

BODIPY ® -based fluorescent dye. 

O. Borozenko,K.L.Lau,G.Cosa, 

S. Giasson, W. G. Skene 

Section C 





Thiol-X Polymerization and Polymer 

Modification Reactions 

C. Bowman, Organizer 

H. Schlaad, A. Lowe, Organizers, Presiding 

8:30 456. Thio-bromo “click” chemistry. 

from (meth)acrylate chain-end modification 

to the synthesis of dendrimers and 

dendritic macromolecules. B. M. Rosen, 

G. Lligadas, C. Hahn, V. Percec 

9:00 457. Thiol-para fluoro click reactions: 

From thermoresponsive polymers to glycopolymers 

and nanoparticles. 

C. R. Becer, K. Babiuch, S. Hornig, 

M. Gottschaldt, K. Kokado, Y. Chujo, 

U. S. Schubert 

9:30 458. Synthesis and modification of multicomponent 

and multiclickable polymer 

brushes. S. B. Rahane, R. M. Hensarling, 

D. L. Patton 


10:10 459. Thiol-ene and thiol-oxirane 

chemistries for the synthesis and modification 

of cylindrical polymer brushes and 

surface modification of microspheres. 

A. H. Müller, A. S. Goldmann, D. Pirner, 

Y. Xu, L. Barner, C. Barner-Kowollik 

10:40 460. Transformation of RAFT polymer 

end groups by thiol-ene click reaction. 

F. M. Winnik,X.Qiu 

11:10 461. End group functionalization of 

RAFT polymers using thiol – alkyl methanethiosulfonate 

click-like chemistry. 

P. J. Roth, P. Theato 

Section D 


Otis 


of Polymers 


S. Hou, Presiding 

8:30 462. Degradable poly(ester-urethane)s 

based on poly(�-caprolactone) with crystalline 

hard segments. synthesis and 

characterizaction. J. E. Báez, 

A. Marcos-Fernández 

8:50 463. Unmasking of polycarbodiimides: 

Polyguanides. J. D. DeSousa, 

B. M. Novak 

9:10 464. Synthesis of double-brush copolymers 

by tandem RAFT polymerization, 

ROP, and ROMP. Y. Li, E. Themistou, 

J. Zou, Y. S. Yap, C. Cheng 

9:30 465. Synthesis and T1 relaxivity of 

poly(ethylene glycol) based gadolinium 

encapsulated nanoparticles. S. Hou, 

S. Tong, J. Zhou, G. Bao 

9:50 466. Thiophene-based-ladder polymers 

with Pseudo-Geminal-[2.2]paracyclophane 

units. S. P. Jagtap, 

D. M. Collard 

10:10 467. Boronic acid end-functionalized 

polycaprolactone as a macromolecular 

reagent for the chemical modification of 

lignin. A. L. Korich,P.M.Iovine 

10:30 468. Hierarchical structures based on 

self-assembled diblock copolymers 

within honeycomb microstructured porous 

films. P. Escalé, M. Save, A. Lapp, 

L. Rubatat, L. Billon 

10:50 469. Recent developments on the 

photocontrolled ring-opening polymerization 

of metallocenophanes. 

L. Chabanne, I. Matas Ruiz, S. K. Patra, 

I. Manners 

11:10 470. Dynamic/living conjugated 

azomethine polymers: Materials with 

postpolymerization property tailoring. 

W. Skene, S. Barik 

11:30 471. Synthesis and ring-opening polymerization 

of �-fluoro-�-caprolactone 

monomer. T. F. Al-Azemi, 

A. A. Mohamod, N. A. Al-Awadi, 

O. M. El-Dusuoqui 

Section E 


Webster 


Symposium 

Biorelated Polymer Synthesis 

T. Fujiwara, C. Scholz, R. Ottenbrite, 

G. Tew, K. Kiick, Organizers 

T. Deming, Y. Ohya, Presiding 


8:40 472. Novel nitroxyl radical containing 

nanoparticle: Bioimaging and therapy. 

Y. Nagasaki, T. Yoshitomi 

9:10 473. Recent developments in use of 

transition metal initiators for polypeptide 

synthesis. T. J. Deming 


10:00 474. Epoxy fatty acid diester/CO2 

systems: Solubility, carbonatation kinetics, 

and polyurethanes synthesis. 

A. Boyer 

10:25 475. Iodine-catalyzed synthesis of 

mixed cellulose esters. H. N. Cheng, 

M. K. Dowd, R. L. Shogren, A. Biswas 

10:50 476. Synthesis and biostability of 

novel polyisobutylene-based thermoplastic 

polyurethanes. D. Cozzens,U.Ojha, 

P. Kulkarni, R. Faust, S. Desai 





POLY 

TECH–117

POLY/PMSE TECHNICAL PROGRAM 

Section B 




Dynamics and Size Analysis 

D. Waldow, D. Nelson, Organizers 

T. Seery, M. Dadmun, Organizers, 

Presiding 

9:00 477. Analysis of chitosan/DNA nanoparticles 

by field flow fractionation. 

P. Ma, M. Buschmann, F. M. Winnik 

9:30 478. Asymmetric flow field flow fractionation 

of amphiphilic dendritic polymers. 

A. Lederer, S. Boye, D. Appelhans, 

B. Voit 

9:50 479. Dynamic swelling, morphology, 

and conductivity in thin ionic block copolymer 

films. S. A. Petrina, T. Saito, 

N. Podraza, M. A. Hickner 


10:30 480. Searching for glass transitions in 

layer-by-layer assemblies. 

J. Lutkenhaus, W. Jang, L. Shao 

11:00 481. Glass transitions, segmental dynamics, 

and friction coefficients for individual 

polymers in multicomponent polymer 

systems by chain-level experiments. 

L. W. Gill, J. L. White 

PMSE 

Division of Polymeric 

Materials: Science and 

Engineering 

J. Pyun, D. Schiraldi, C. Soles, 

and T. Younkin, Program Chairs 


Breakfast, 7:30 AM: Sun, Mon, Tue, 

Wed, Thu 

Hospitality Suite, 8:00 PM: Tue 

Reception, 5:30 PM: Wed 



PM: Sun 



Section A 


Commonwealth Ballroom A/B 

WCU International Symposium on Energy 

Storage and Conversion 

Nanostructured Materials for Energy 

Applications Financially supported by Dongjin 

Semichem Co., Ltd., Office of Research 

Affairs, Seoul National University, and WCU 

Program of Chemical Convergence for Energy 

and Environment funded by the Ministry of 

Education, Science and Technology (R31- 

10013) 

P. Theato, J. Jang, Organizers 

K. Char, Organizer, Presiding 

T. Hyeon, Presiding 

8:30 1. Thermoelectric polymer nanocomposites. 

J. C. Grunlan,C.Yu 


118–TECH 

9:00 2. Nonaqueous sol-gel routes to metal 

oxide nanostructures. N. Pinna 

9:30 3. Nanostructured polymeric membranes 

for fuel cell and water treatment 

applications. M. A. Hickner 

10:00 4. Colloidal polymerization: A route to 

heterostructured semiconductor nanowires 

for energy. B. Kim, N. R. Armstrong, 

J. Pyun 

10:30 PMSE/POLY Poster Session and Intermission 

10:45 5. High energy density nanocomposites 

based on surface modified BaTiO 3 

and ferroelectric polymers. J. W. Perry, 

P. Kim, O. Smith, J. P. Tillotson, 

S. R. Marder 

11:15 6. Fabrication of conducting polymer 

nano-materials for energy storage and 

conversion. J. Jang 

11:45 7. Mechanical and thermal energy 

transport in biological and biologically inspired 

nanostructures. M. J. Buehler, 

Z. Xu 

Section B 


Grand Ballroom C 

Multifunctional Nanoparticles for Drug 

Delivery and Imaging 

Imaging and Therapy Financially supported 

by Cerulean Pharma, Inc. 

S. Svenson, Organizer, Presiding 

J. Gao, S. Boyes, Presiding 


8:35 8. Multistage drug delivery system for 

design of enhanced therapeutic systems 

and improved contrast agents. B. Godin, 

R. E. Serda, E. Tasciotti, X. Lu, T. Tanaka, 

P. Decuzzi, M. Ferrari 

9:00 9. Targeted multifunctional nanoparticles 

for imaging, surgery and therapy of 

cancer. R. Kopelman, Y. Koo Lee 

9:25 10. Theranostic polymer micelles for 

lung cancer imaging and therapy. 

G. Huang, S. Yang, L. Wu, C. Khemtong, 

C. Kessinger, S. Li, O. Togao, 

M. Takahashi, K. Brown, J. Gao 

9:50 11. Dendrimer based cancer therapy. 

S. N. Goonewardena, S. Choi, 

J. R. Baker 


10:30 12. Polymer-modified gadolinium 

nanoparticles for the targeted imaging of 

cancer. M. D. Rowe, C. G. Chang, 

N. J. Serkova, S. G. Boyes 

10:55 13. Multifunctional lipoprotein-derived 

nanoparticles for diagnostic and therapeutic 

applications in biomedicine. 

W. J. Mulder, D. P. Cormode, T. Skajaa, 

P. A. Jarzyna, A. Gianella, E. A. Fisher, 

Z. A. Fayad 

11:20 14. Investigation of large molecule 

and nanoparticle pharmacokinetics by 

quantitative PET imaging. M. I. Papisov, 

A. J. Fischman, V. Belov 

11:45 15. Aggregation control of poly(pphenylene 

ethynylene)s in water for biological 

imaging applications. J. Moon, 

A. Nguyen, Y. Ko 

Section C 


Commonwealth Ballroom C 

AkzoNobel Award in Outstanding Graduate 

Research in Polymer Chemistry in Honor of 

Haifeng Gao Cosponsored by POLY 

Financially supported by AkzoNobel 

W. Ford, Organizer, Presiding 

8:30 16. Novel self-assembling approaches 

to functionalized materials. C. J. Hawker 

9:00 17. New functional hybrid nanoparticles 

using (3-acryloylpropyl)trimethoxysilane 

as a crosslinker. A. H. Müller, 

J. Yuan, M. Müller, S. Weiss, A. Walther 

9:30 18. Polymers and dipolar nanoparticles. 

J. Pyun 


10:15 19. Organic materials and devices for 

solar energy conversion. 

M. E. Thompson 

10:45 20. Achieving the impossible by combining 

anionic and atom transfer radical 

polymerization. N. Hadjichristidis 

11:15 21. Synthesis of polymers with controlled 

architectures by ATRP. 

K. Matyjaszewski 

11:45 Presentation of Award by Rama 

Chandran 

11:50 22. Synthesis of functional polymers 

with controlled architecture by ATRP of 

monomers in the presence of crosslinkers: 

From stars to gels. H. Gao 

Section D 


Stone 

Green Coating Technologies 

D. Webster, J. Rawlins, Organizers, 

Presiding 

8:30 23. Environmentally friendly non-ionic 

and fluorine free surface active amphiphilic 

block copolymers for fouling release 

applications. H. S. Sundaram, Y. Cho, 

C. J. Weinman, M. Y. Paik, M. Dimitriou, 

J. Finlay, M. E. Callow, J. A. Callow, 

E. J. Kramer, C. K. Ober 

9:00 24. Poly(2,5-bis-(N-methyl-N-hexylamino)phenylene 

vinylene) (BAM-PPV) 

as a replacement for army wash primers. 

P. Zarras, C. Webber, C. E. Miller 

9:30 25. Thin film fuel cell and water purification 

membranes cast from alcohol/water 

nanodispersions of disulfonated poly(aryl 

ether) copolymers. C. Lee, M. Lee, 

J. E. McGrath, J. Park, J. Song, 

M. B. Robert, J. Spano, S. Wi, J. Cook, 

B. D. Freeman 

9:50 26. Single-step and solvent-free synthesis 

of conducting poly(3,4-thylenedioxythiophene) 

and its copolymer. 

D. Bhattacharyya, H. Chelawat, 

K. K. Gleason 


10:30 27. Synthesis of polyurethane dispersions 

using novel polypropylene carbonate 

polyols. M. J. Nasrullah, P. Thapliyal, 

V. V. Sonalkar, C. Gallagher-Lein, 

D. C. Webster 

10:50 28. Preparation of functional polymer 

surfaces by hyperthermal hydrogen induced 

cross-linking. C. V. Bonduelle, 

S. Karamdoust, D. B. Thompson, 

T. Trebicky, G. Davidson, L. W. Lau, 

E. Gillies 

11:10 29. Epoxy-anhydride curing of epoxidized 

sucrose esters of fatty acids. 

X. Pan, P. Sengupta, D. C. Webster 

11:30 30. Monomer-grafted sucrose ester 

resins. T. J. Nelson, D. C. Webster 

Section E 


Galleria 

PMSE/POLY Poster Session 




9:30–11:00 

31. Synthesis of folate functionalized biodegradable 

amphiphilic dendrimer-like star 

polymer for targeted cancer cells. 

W. Cao, J. Zhou, Y. Wang, L. Zhu 

32. CRLX288, a novel polymeric nanoparticle, 

slows the release of drug and can 

be dosed less frequently than the parent 

drug. S. R. Kabir, P. Ng, P. Lim Soo, 

J. Podobinski, G. Gangal, R. I. Case, 

P. Shum, B. Sweryda-Krawiec, 

J. G. Martínez, S. Svenson, S. Eliasof, 

D. Lazarus 

33. Manipulating the structural conformation 

of PB-PEO micelles in water-THF co-solvent 

mixtures. E. G. Kelley, T. P. Smart, 

C. M. Marino, M. O. Sullivan, T. H. Epps, 

III 


overcomes many of the delivery hurdles 

associated with the parent drug. 

J. G. Martínez, S. R. Kabir, P. Ng, 

P. Lim Soo, J. Podobinski, G. Gangal, 

R. I. Case, P. Shum, B. Sweryda-Krawiec, 

S. Svenson, S. Eliasof, D. Lazarus 


significantly improves the therapeutic 

window over the parent drug in preclinical 

studies in mice. P. Ng, 

P. Lim Soo, J. Podobinski, G. Gangal, 

R. I. Case, P. Shum, B. Sweryda-Krawiec, 

J. Martínez, S. R. Kabir, D. Lazarus, 

S. Eliasof, S. Svenson 

36. Size-dependent influenza virus inhibition 

by multivalent polyglycerol glycoarchitectures. 

I. Papp, A. L. Sisson, C. Sieben, 

A. Herrmann, R. Haag 

37. IT-101 nanoparticle characterization. 

R. I. Case, B. Sweryda-Krawiec, 

P. Shum, J. Hwang, M. Wolfgang 

38. Biodegradable polyglycerol nanogels 

with excellent cell penetrating properties. 

D. Steinhilber, A. L. Sisson, P. Welker, 

K. Licha, R. Haag 

39. Antibody-like nanomaterials for cell recognition. 

J. Zhou, B. Soontornworajit, 

Y. Wang 

40. Responsive polymeric magnetic nanoparticels 

with liquid crystalline hydrophobic 

layer. Y. Zhou,R.M.Kasi 

41. Multicompartment/multigeometric micelles 

(MCM/MGM) of diblock copolymer 

blend via dynamic and static self-assembly. 

J. Zhu, K. Zhang, C. Miesch, 

T. Emrick, K. Wooley, D. Pochan 


Section C 



Pushing the Limits of Nanolithography: 

Advanced Imaging for Sub 20 nm 

Patterning 

P. Trefonas, G. Barclay, Organizers, 

Presiding 

1:00 42. Surface modifying copolymers for 

self-assembly of block copolymers in 

thin-films. E. Han, M. Kim, Y. Kim, 

N. S. Safron, M. S. Arnold, P. Gopalan 

1:30 43. Sub-20 nm nanolithography using 

templated block copolymers. C. A. Ross, 

J. Son, K. W. Gotrik, Y. Jung, 

A. Alexander-Katz, J. Chang, A. Hannon, 

R. Mickiewicz, K. K. Berggren, Y. K. Yang 

2:00 44. Green processing of photoresists in 

non-polar fluids for high resolution patterning. 

C. K. Ober, C. K. Ouyang, J. Lee, 

J. Sha 


2:45 45. Defect formation during self-assembly 

of block copolymer etch masks. 

S. Sills, D. B. Millward, R. Malshe 

3:15 46. Photoacid generator-attached molecular 

glass photoresists. M. Krysak, 

C. K. Ober 

3:45 47. Imaging hierarchal defects on 

coated patterned substrates using nanoprobes. 

C. Pratiwada 

4:15 48. Self-aligning and self-orienting DNA 

origami for sub-lithographic patterning. 

K. Kim, K. Sarveswaran, M. Lieberman 






consent from ACS.

Section A 





Nanostructured Materials for Energy 

Applications Financially supported by Dongjin 






10013) 

K. Char, P. Theato, Organizers 

J. Jang, Organizer, Presiding 

J. Grunlan, Presiding 

1:30 49. Nanostructured materials for potential 

energy-related applications by 

controlled radical polymerization. 

K. Matyjaszewski, L. McCullough, 

J. Yoon, T. Kowalewski, H. Paik 

2:00 50. Carbon-containing nanocomposite 

materials for energy storage. 

B. Hertzberg, S. Boukhalfa, 

A. Magasinski, I. Kovalenko, P. Dixon, 

G. Yushin 

2:30 51. Quantum dot-based nanohybrid 

active layers and their relationship with 

the performance of light-emitting diodes. 

K. Char, W. Bae, J. Kwak, J. Lim 

3:00 52. Arranging nanoparticle superlattices 

with liquid crystals. X. Zeng, 

X. Mang, F. Liu, R. Zhang, A. G. Fowler, 

L. Cseh, G. H. Mehl, G. Ungar 


3:45 53. Self-assembly of rod-coil block copolymers 

for organic photovoltaic applications. 

R. A. Segalman,V.Ho, 

B. W. Boudouris 

4:15 54. Synthesis of hollow hematite nanocapsules 

and carbon-embedded magnetite 

nanocrystals for lithium-ion battery 

anodes. Y. Piao, H. Kim, M. Park, B. Kim, 

Y. Sung, T. Hyeon 


block copolymers with polythiophene 

segments by the combination of atom 

transfer radical polymerization and Kumada 

polycondensation. X. Yu, Y. Li, 

H. M. O’Niell, M. Kilbey, II, J. W. Mays, 

P. F. Britt, K. Hong 

5:05 56. Gold cobalt core-shell nanoparticles 

and patterning gold nanoparticles 

on substrates. B. Kim,J.Pyun 

Section B 





Carrier-based Drug Delivery Financially 

supported by Cerulean Pharma, Inc. 


M. Grinstaff, R. Haag, Presiding 


1:35 57. Nanotechnology and its potential in 

medicine. R. S. Langer 

2:25 58. Acid cleavable multifunctional prodrugs 

derived from dendritic polyglycerol. 

M. Calderón, P. Welker, K. Licha, 

I. Fichtner, R. Graeser, F. Kratz, R. Haag 

2:50 59. Structure-activity relationshipinspired 

design of novel cisplatin nanoparticles. 

S. Sengupta, A. Paraskar 


3:30 60. Expansile nanoparticles: Synthesis, 

characterization, and in vivo efficacy in 

lung and mesothelioma tumor models. 


3:55 61. Polymer micelles for multiple drug 

delivery. H. Shin, A. W. Alani, N. Rockich, 

G. S. Kwon 

4:20 62. Polymeric micelles from bench to 

bedside. A. V. Kabanov 

Section D 


Stone 

Akzo Nobel Student Award Symposium 

Financially supported by AkzoNobel 

J. Thomaides, Organizer, Presiding 


1:35 63. Networked nanocomposites derived 

from block terpolymers. M. Stefik, 

S. Mahajan, H. Sai, T. H. Epps, 

F. S. Bates, S. M. Gruner, U. Wiesner 

2:05 64. Surface energy/chemistry gradients 

for block copolymer thin film studies. 

J. N. Albert, M. J. Baney, C. M. Stafford, 

J. Y. Kelly, T. H. Epps 

2:35 65. Tuning T g by 100 K in multilayer 

polymer films and nanostructured block 

copolymer/homopolymer blends. S. Kim, 

J. Torkelson 


3:20 66. Network formation in a crystallizing 

polymer. D. Arora, H. Winter 

3:50 67. Tailoring and controlling the physical 

properties of silica aerogel-polymer 

nanocomposites with surface initiated- 

ATRP. D. J. Boday, P. Keng, J. Pyun, 

D. A. Loy 

4:20 68. Unique helical polycarbodiimides 

with reversible dynamic properties based 

on arene substituent effects. 

J. G. Kennemur, B. M. Novak 

Section E 


Galleria 



D. Schiraldi, Organizer, Presiding 

2:30–4:00 

69. Formation of air gap dielectrics by nanoimprint 

lithography. B. Erenturk, 

K. R. Carter 

70. Crystal ordering of isotactic polypropylene 

and carbon nanotube composites 

under shear stress. R. Judith, 

G. Georgiev, Y. Cabrera, L. Wielgus, 

P. Cebe 

71. Smectic phase and crystallization of multiwalled 

carbon nanotubes/isotactic 

polypropylene formed through meltquenching. 

G. Y. Georgiev, S. Schoen, 

D. Ivy, E. A. Gombos, M. B. McIntyre, 

P. Cebe 

72. Application of nanocarbons to photosensitive 

diazo/PVA resist (3). H. Hamana, 

K. Harada, M. Nakada, M. Okada, 

T. Hiaki, K. Matsuda, S. Takahara, 

K. Sugita 

73. Amphiphilic macromolecule-lipid complexes 

for drug delivery: In vivo tolerability. 

A. M. Harmon, M. H. Lash, 

K. E. Uhrich 

74. Dimethyl sulfoxide plasticized wheat gluten/silica 

nanocomposites. S. Hemsri, 

R. S. Parnas, A. D. Asandei 

75. Formation of hierarchical silica 

nanochannels with nanoimprint lithography. 

N. R. Hendricks, K. R. Carter, 

J. J. Watkins 

76. Poly(ethylene oxide) crystal orientation 

change under 1D nanoscale confinement 

using polystyrene-block-poly(ethylene 

oxide) copolymers: Confined dimension 

and reduced tethering density effects. 

M. Hsiao, J. Zheng, R. Van Horn, 

R. Quirk, B. Lotz, E. Thomas, H. Chen, 

S. Cheng 

77. Dynamic structure study of synthetic resilin 

biopolymers. X. Hu, G. Qin, P. Cebe, 

D. L. Kaplan 

78. Lipid bilayer formation using a PDMS 

gasket. Y. Baek, J. Park, S. Choi, T. Jeon 

79. Synthesis and characterization of dendron-rod-coil 

based molecules for applications 

in organic photovoltaics. 

T. S. Kale, A. Della Pelle, 

A. Nantalaksakul, S. Thayumanavan 

80. Cytotoxicity and immune response of 

PEDOT nanomaterials with different 

shapes in mammalian cells. S. Kim, 

J. Jang 




Sponsored by POLY, Cosponsored by 


Section A 





Li-Batteries and Supercapacitors Financially 

supported by Dongjin Semichem Co., Ltd., 

Office of Research Affairs, Seoul National 

University, and WCU Program of Chemical 

Convergence for Energy and Environment 

funded by the Ministry of Education, Science 

and Technology (R31-10013) 

J. Jang, K. Char, P. Theato, Organizers 

G. Ungar, S. Tolbert, Presiding 

8:30 81. Advances in electrolytes for lithium 

ion batteries: A mechanistic understanding. 

B. L. Lucht 

9:00 82. Nanolayer batteries and spray-assembled 

electrodes for electrochemical 

energy. P. T. Hammond 

9:30 83. High lithiation capacity and rate capability 

observed with amorphous MoO 2 

electrodes for lithium-ion batteries. 

J. H. Ku, J. Ryu, S. Oh 


10:15 84. Layer-by-layer assembled nanostructured 

electrodes for electrochemical 

energy applications. S. Lee, S. Chen, 

P. T. Hammond, Y. Shao-Horn 

10:45 85. Hydrogen storage in metal-organic 

framewords. K. Sumida, 

Z. R. Herm, H. Choi, E. D. Bloch, 

L. J. Murray, M. Dinca, S. S. Kaye, 

J. R. Long 

11:15 86. Effects of polymorphism on dipolar 

reorientation in poly(vinylidene fluoride-co-hexafluoropropylene) 

random copolymers. 

F. Guan, J. Wang, J. Pan, 

Q. Wang, L. Zhu 

Section B 





Targeting and Drug Delivery Financially 



T. Allen, Y. Bae, Presiding 


8:35 87. Nanotechnology-based cancer 

therapeutics: View from the NCI Alliance 

for Nanotechnology in Cancer. 

P. Grodzinski, D. Farrell, K. Ptak, 

N. Panaro 

9:25 88. Multi-targeted combinations of liposomal 

drugs for cancer chemotherapy. 

T. M. Allen,E.H.Moase 

9:50 89. Multifunctional nanosystems for tumor 

imaging and therapy. M. Amiji 


10:30 90. Medicine nanoengineering: Multifunctional 

polymeric nanoparticles for 

medical applications. O. C. Farokhzad 

10:55 91. pH-responsive cancer nanotechnology 

for multidrug resistance and tumor 

heterogeneity. Y. H. Bae 

11:20 92. Cellular binding and internalization 

of aptamer-targeted liposomes and carbon 

nanotubes: What matters most? 

J. Van den Bossche, W. T. Al-Jamal, 

B. Tian, A. Nunes, K. Kostarelos 

11:45 93. Multifunctional lipid-based pharmaceutical 

nanocarriers for drugs and 

genes. V. P. Torchilin 

Section C 



ACS Award in the Chemistry of Materials: 

Symposium in Honor of Robert D. Miller 

Financially supported by IBM Almaden 

Research Center and JSR Micro 

A. Nelson, Organizer, Presiding 

8:30 94. Advanced nanostructured materials 

by ATRP. K. Matyjaszewski 

9:00 95. Identification and utilization of specific 

spatially-anisotropic electronic intermolecular 

electrostatic interactions to enhance 

acentric order in organic electrooptic 

materials. S. J. Benight, 

L. R. Dalton 

9:30 96. Hybrid organic-inorganic materials 

combinations and their application to unconventional 

printed electronic circuitry. 

T. J. Marks 

10:00 97. Using iptycenes to modify polymer 

properties. T. D. Swager, 

S. A. Sydlik 


10:45 98. Facile routes to ketene–functionalized 

polymers for materials applications. 

C. J. Hawker 

11:15 99. Organosilicon polymers for microelectronics. 

C. Wilson 


the Chemistry of Materials Sponsored by 

E. I. du Pont de Nemours & Company). 

Resurgence of the stars: Synthesis and 

applications. R. D. Miller 

Section D 


Stone 

Roy W. Tess Award: Symposium in Honor 

of Charles R. Hegedus 

Coatings Failure Mechanisms and 

Prevention Financially supported by Air 

Products and Chemicals, Inc. 

C. Schoff, Organizer, Presiding 

T. Provder, Presiding 

8:30 101. What are coatings failures? Why 

do they happen? What can we do about 

them? C. K. Schoff 

9:00 102. Premature film degradation of exterior 

architectural coatings. 

S. J. Pruskowski 

9:30 103. NIST sustainable infrastructure 

material program. J. W. Martin,X.Gu, 

T. Nguyen, J. Chin 


10:15 104. Assessment of accelerated corrosion 

tests compared to beachfront testing 

and proposed evaluation method of 

coated panels. K. J. Kovaleski, 

C. A. Matzdorf, W. C. Nickerson 

10:45 105. Comparison of Fe, Al, and Mg alloys 

electrochemical behavior by DC 

electrochemical techniques. T. Provder, 

F. L. Floyd, S. Avudaiappan, C. V. Patel, 

A. Thathajohnpasha, S. Tatti, S. Amin 

11:15 106. Coating defects: Cause and solutions. 

W. J. Blank 

11:45 107. Painting automotive plastics: 

Trends and technology. R. A. Ryntz 





PMSE 

TECH–119

PMSE TECHNICAL PROGRAM 

Section E 


Galleria 




9:30–11:00 

108. New conjugated polymer for efficient 

polymer solar cells. J. Kwon,J.An, 

H. Jang, S. Choi, J. Park, M. Lee, 

D. Jung, Y. Kim 


OTFT material based on terthiophene. 

S. Kang, D. Lee, K. So, M. Kang, 

H. Kang, M. Lee, Y. Kim,S.Kwon 

110. Antimicrobial copolyoxetanes with “A” 

and “B” pendant groups. A. King, 

S. Charkrabarty, P. Kurt, D. Ohman, 

L. Wood, K. J. Wynne 

111. Label-free FET sensor based on 

aptamer-conjugated polypyrrole nanotubes 

for vascular endothelial growth factor 

(VEGF) detection. O. Kwon, J. Jang 

112. Mechanical properties of confined polyethylene 

oxide nanolayers. C. Lai, 

R. K. Ayyer, A. Hiltner, E. Baer 

113. Crystallization of syndiotactic polypropylene 

in confined nanolayers. 

D. S. Langhe, A. Hiltner, E. Baer 

114. Characterization of bio-inspired functionally-graded 

materials prepared using 

photopolymerization. J. L. Leadore, 

J. A. Orlicki, K. E. Strawhecker 

115. Morphological changes of hollow silica 

by the intermolecular interactions within 

block copolymer micelles. H. Lee, Y. Lee, 

K. Char 

116. Multilayer deposition on patterned hydrogel 

particles in a droplet-based microfluidic 

system. M. Lee, W. Park, 

J. Lim, C. Chung, S. Kwon, S. Lee, 

H. Ahn, K. Char 

117. 3D culture of mesenchymal stem cells 

encapsulated in resilin-like polypeptide 

hydrogels. A. Mahara, L. Li, T. Yamaoka, 

K. L. Kiick 

118. Melt-blended aminopropylisobutyl 

POSS-nylon 6 composites: Role of annealing 

on crystallinity and thermal/mechanical 

properties. H. W. Milliman, 

D. A. Schiraldi 

119. Optimization of active layer thickness 

for high performance organic tandem solar 

cells by combining the optical and the 

charge transport models. Y. Nam,J.Huh, 

W. Jo 


Section A 





Supercapacitors and Fuel Cells Financially 

supported by Dongjin Semichem Co., Ltd., 

Office of Research Affairs, Seoul National 

University, and WCU Program of Chemical 

Convergence for Energy and Environment 

funded by the Ministry of Education, Science 

and Technology (R31-10013) 


J. Long, S. Oh, Presiding 

1:30 120. Improved performance in electrochemical 

supercapacitors using templated 

nanoporous materials. 

T. Brezesinski, J. Wang, R. Senter, 

B. Dunn, S. H. Tolbert 

2:00 121. Ferroelectric polymers and nanocomposites 

for electrical energy storage. 

J. Li, P. Khanchaitit, K. Han, S. I. Seok, 

Q. Wang 


120–TECH 

2:30 122. Porous carbon materials from 

block copolymer precursors for supercapacitor 

applications. E. Kim, M. Zhong, 

J. P. McGann, K. Matyjaszewski, 

J. F. Whitacre, T. Kowalewski 


3:05 123. Block copolymer based nanostructured 

materials for energy storage 

and conversion. U. Wiesner 

3:35 124. Degradation mitigation in PEFCs 

using composite PEMs. P. Trogadas, 

V. K. Ramani 

4:05 125. Surface engineering of porous 

membrane by electrospinning. 

E. Kulkarni, P. Bajracharaya, N. K. Dutta, 

N. Roy Choudhury, W. M. Skinner, 

T. B. Issa 

Section B 





Preparation and Characterization of 

Nanoparticles Financially supported by 

Cerulean Pharma, Inc. 


H. Ghandehari, S. Thayumanavan, 

Presiding 


1:35 126. Particle replication In non-wetting 

templates: A top-down approach to 

nanomedicine. J. Wang, S. Tian, 

E. M. Enlow, K. P. Herlihy, M. Napier, 

J. M. DeSimone 

2:00 127. Influence of nanoconstruct architecture 

on biodistribution in ovarian tumor-bearing 

mice. H. Ghandehari, 

A. Ray, S. Sadekar, A. Anwar, 

C. Peterson, M. Janat-Amsbury 

2:25 128. Novel synthesis of (carboxylic 

acid)-telechelic poly (�-caprolactone). 

P. T. Hammond 

2:50 129. Polylactide-drug nanoconjugates 

for cancer targeting and therapy. R. Tong, 

L. Tang, N. Gabrielson, T. A. Fan, 

J. Cheng 


3:30 130. Self-crosslinking polymer nanogels 

as stable delivery vehicles. 

S. Thayumanavan 

3:55 131. Paclitaxel-triazine dendrimer constructrs: 

Efficacy, toxicity and characterization. 

E. E. Simanek,X.Sun,S.Lo, 

J. Lim 

4:20 132. Novel plasma deposited stability 

enhancement coating for amorphous 

ketoprofen. S. Bosselmann, 

D. E. Owens III, R. L. Kennedy, 

M. J. Herpin, R. O. Williams III 

4:45 133. Preclinical characterization for 

translational cancer nanomedicine: Opportunities 

and challenges. J. Clogston, 

J. Zheng, A. K. Patri 

Section C 



Nano-Scaled Phenomena in Polymeric 

Systems 

Self-Assembly and Pattern Formation in 

Nano-Scale Financially supported by 

Mitsubishi Chemical, BASF, Dow Chemical, 

and Kaneka 

A. Yee, A. Takahara, J. Wong, Organizers 

H. Sue, Organizer, Presiding 

J. Douglas, Presiding 


1:35 134. Self-assembling nano-structure of 

a block copolymer studied by transmission 

electron tomography. H. Jinnai, 

H. Sugimori, K. Matsunaga, S. Hong, 

T. Kaneko, V. Abetz 

2:05 135. DNA-guided assembly of nanosystems. 

O. Gang 

2:35 136. Effect of filler addition on the texture 

evolution in amorphous lamellar 

block copolymers. H. Ryu, 


2:55 137. Gradient composition distribution 

of polystyrene-based polymer blends in 

cylindrical nanopores. H. Wu,Z.Su, 

A. Takahara 


3:30 138. Highly oriented and aligned line 

patterns from block copolymers over 

macroscopic distances. S. Hong, D. Lee, 

S. Park, T. Xu, T. P. Russell 

4:00 139. Morphology of block copolymer 

films confined by tunable surface energy 

elastomeric films and xerogel substrates. 

M. M. Kulkarni, A. Karim 

4:20 140. Redispersible polysiloxane-Ptnanoparticles: 

Synthesis, characterization 

and catalytic use in disiloxane hydrosilylation. 

B. P. Chauhan,J.S.Rathore, 

A. Sarkar 

4:40 141. Particle assembly with double-helix 

DNA. D. Sun, A. Stadler, 

D. van der Lelie, O. Gang 

5:00 142. Cylindical micelles and block comicelles 

by crystallisation-driven polymerization. 

J. B. Gilroy, T. Gädt, 

G. R. Whittell, R. M. Richardson, 

M. A. Winnik, I. Manners 

Section D 


Stone 

Roy W. Tess Award: Symposium in Honor 

of Charles R. Hegedus 

Coatings Failure Mechanisms and 

Prevention Financially supported by Air 

Products and Chemicals, Inc. 

C. Schoff, Organizer, Presiding 

T. Provder, Presiding 

1:30 143. Inorganic nanomaterial applications 

in scratch resistant organic coatings. 

R. H. Fernando 

2:00 144. Prevention of defects in coatings 

through the proper use of foam control 

additives. I. K. Meier,C.J.Reader, 

C. R. Hegedus, C. Louis, W. Chaigneau, 

K.T.Lai,R.A.Snow 

2:30 145. Associative rheology modifier 

technology for zero VOC coatings and 

highly tinted paints. J. J. Rabasco, 

B. R. Bobsein, D. A. Saucy 


3:15 146. Recent advances in aliphatic 

moisture cure urethane coatings. 

E. Squiller,K.Best 

3:45 147. Developing a sustainable solution 

for scratch and mar resistance in VOC 

compliant automotive clearcoats. 

D. Bhattacharya, S. Basu, K. McCreight, 

N. X. Randall, R. P. Nair 

4:15 148. Surfactants: One of many contributing 

factors to a coating’s success. 

C. R. Hegedus,D.L.Elder 

Section E 


Galleria 




2:30–4:00 

149. Enhanced photostability of Hemi-22 

dye in solid state thin films of DNA- 

CTMA. D. Navarathne,Y.Ner, 

D. M. Niedzwiedzki, J. G. Grote, 

A. V. Dobrynin, H. A. Frank, G. A. Sotzing 

150. Weld line behaviour of exfoliated and 

toughened polypropylene layered silica 

nanocomposites. N. Nugay, O. Ersoy, 

S. Sen, T. Nugay 

151. Direct patterning of multi-component 

polymer brushes. Y. Xu,M.Y.Paik, 

M. E. Welch, C. K. Ober 

152. Thermal and dielectric properties of 

poly (methyl methacrylate–co-4-vinylpyridine): 

Conductivity measurements of their 

hydrochloride salts. K. Ouaad, 

H. Harrar-Ferfara, S. Djadoun 

153. Synthesis and characterization of novel 

bioactive PVP-based hydrogels. 

R. Fogaça,M. A. Ouimet, L. H. Catalani, 

K. E. Uhrich 


blue copolymers containing biphenylenevinylene 

and triphenyldiamine. 

H. Park, D. Oh, S. Kang, J. Jang, Y. Kim, 

S. Kwon 

155. Impedance biosensor based on inkjet 

printed silver for the detection of antibodies 

to a peptide allergen. J. Park,H.Liu, 

V. Palumbo, G. Jensen, M. Peczuh, 

J. F. Rusling, G. A. Sotzing 

156. Organic aerogels derived from the radical 

polymerization of bis- and triacrylamides. 

S. Park, S. Hwang, K. Kim, 

M. D. Cho 

157. Self-assembly of chain-end functionalized 

responsive polymers synthesized by 

RAFT. A. O. Moughton, J. P. Patterson, 

R. K. O’Reilly 

158. Creation of multifunctional nanoparticle 

systems for cancer therapy using layerby-layer 

assembly. Z. Poon, 

P. T. Hammond 

159. Non-woven nylon nanofiber mat as reinforcement 

to polyaniline films. 

A. Romo-Uribe, L. Arizmendi, 

M. E. Romero-Guzman, S. Sepulveda, 

R. Cruz-Silva 

160. Polymer-derived ceramic composite fibers 

with aligned pristine multiwalled carbon 

nanotubes. S. Sarkar,J.Zou,C.Xu, 

J. Liu, L. An, L. Zhai 






Section F 


Hall C 

Sci-Mix 


8:00–10:00 

36, 38, 40, 41, 71, 72, 73, 74, 75, 76, 77, 79, 

80, 108, 111, 112, 113, 117, 118, 149, 

151, 153, 157, 159. See previous listings. 

192, 195, 196, 197, 198, 199, 200, 202, 245, 



Section C 




Systems 

Novel Properties Developed due to Nano- 

Scale Financially supported by Mitsubishi 

Chemical, BASF, Dow Chemical, and Kaneka 

A. Takahara, H. Sue, J. Wong, Organizers 

O. Gang, Presiding 

A. Yee, Organizer, Presiding 






consent from ACS.

8:00 161. Energy release and the induced 

ultrahigh optoelectronic enhancements in 

metastable polymer films by spin coating. 

A. C. Yang, C. C. Chang, P. Lee, 

C. H. Tsao, G. Reiter, C. Yuan, J. Tang, 

T. L. Lin 

8:30 162. Electrical percolation and resistive 

switching in silver nanowire-polystyrene 

composites. K. I. Winey 

9:00 163. Tribiological properties of super 

hydrophilic polymer brushes under wet 

conditions. M. Kobayashi, M. Terada, 

A. Takahara 

9:20 164. Recognition of asymmetric nanoclusters 

by DNA functionalized surfaces. 

C. Chi, D. van der Lelie, O. Gang 

9:40 165. Thermal conductivity of nanoscale 

polyaniline films. J. Jin, M. P. Manohara, 

A. M. Haque, Q. Wang 


10:15 166. All-conjugated block copolymers 

and conjugated polymer/nanocrystal 

nanocomposites: From synthesis, selfassembly 

to energy application. Z. Lin, 

M. He, L. Zhao, F. Qiu, Y. Yang 

10:45 167. Nanostructured hybrid materials 

based on phosphonic acid derivatives of 

terthiophene and imogolite nanotubes. 

W. Yah, A. Irie, H. Otsuka, A. Takahara 

11:05 168. Layer-by-layer assembly of pHresponsive 

diblock copolymer micelles 

with temperature-dissolvable cores. 

L. Xu, Z. Zhu, S. Sukhishvili 

11:25 169. Solvent-free nanofluids as versatile 

colloids and ionic liquids. J. Texter, 

K. Bian, D. Chojnowski, J. Byrom 

Section A 





Solar Cells Financially supported by Dongjin 






10013) 


J. Pyun, J. Loos, Presiding 

8:30 170. 1D TiO 2 nanostructures for dyesensitized 

solar cells. S. Kang, J. Kim, 

Y. Sung 

9:00 171. Improving efficiency of dye-sensitized 

solar cells (DSCs) with energy relay 

dyes and light trapping. M. D. McGehee, 

M. Grätzel, B. E. Hardin, I. Ding 

9:30 172. Selective alignment of dyes for 

panchromatic dye-sensitized solar cells. 

N. Park, K. Lee, M. Ko, K. Kim 


10:15 173. Morphological effects on polymer-based 

solar cell performance. J. Kiel, 

M. E. Mackay, D. Olds, P. M. Duxbury 

10:45 174. Template-assisted fabrication of 

free-standing nanorod arrays based upon 

organic semiconductors for organic solar 

cells. N. Haberkorn, P. Theato 

11:15 175. Organic-inorganic and organicorganic 

interfaces in organic solar cells. 

J. Bredas 

Section B 





RNAi and Biologics Delivery Financially 



D. Thompson, K. Miyata, Presiding 


8:35 176. Multimerized siRNA: Novel strategy 

for efficient gene silencing. T. Park 

9:00 177. Development of a nucleic acid 

vector based on non-covalent assembly 

of bioresponsive poly(ethylene glycol)poly(vinylalcohol)-adamantane:amino-bcyclodextrin 

complexes. D. Wei, 

A. Kulkarni, D. H. Thompson 

9:25 178. Development of advanced polymer-based 

nanodevices for nucleic acids 

delivery. K. Miyata, T. Nomoto, 

H. Takemoto, H. Kim, Y. Matsumoto, 

M. Oba, N. Nishiyama, K. Kataoka 

9:50 179. Highly tunable modular dendrons 

for DNA binding and delivery. D. K. Smith 

10:15 PMSE/POLY Poster Session and 

Intermission 

10:30 180. High-throughput synthesis of 

core-shell nanoparticles for siRNA delivery. 

D. J. Siegwart, L. Nuhn, S. Jiang, 

A. Vegas, K. Whitehead, P. Fenton, 

M. Ma, H. Cheng, K. Love, S. P. Collins, 

Y. Li, J. Jang, R. S. Langer, 

D. G. Anderson 

10:55 181. Nanocarrier cross-linking density 

and pH sensitivity regulate intracellular 

gene transfer. J. You, D. T. Auguste 

11:20 182. Efficient gene delivery using acid-responsive 

lipid envelopes for adenovirus. 

J. Van den Bossche, 

W. T. Al-Jamal, A. Yilmazer, B. Tian, 

K. Kostarelos 

11:40 183. Synthetic organic nanotubes as 

drug delivery vehicles. K. Huang, 

J. Rzayev 

12:00 184. Synthesis of novel glycopolymers 

and glyconanoparticles for biomolecular 

recognition processes. Z. Deng, 

S. Li, X. Jiang, R. Narain 

Section D 


Hancock 

Novel Polymeric and Nanocomposite 

Materials for Defense and Energy 

Design and Fabriation of 

Composite/Membrane Materials Financially 

supported by Air Force Office of Scientific 

Research, Eastman Chemical Company, 

Office of Naval Research, PPG Industries 

Foundation, and Army Research Office 

P. Costanzo, Organizer, Presiding 


8:35 185. Hierarchically structured polymer 

composites: Broadly enabling multifunctional 

materials. J. L. Lenhart, R. Mrozek, 

M. Berg, J. Andzelm, Y. Sliozberg, 

K. R. Shull, K. Otim 

9:00 186. Modification and characterization 

of chemical microenvironments for enzyme 

immobilization. M. J. Cooney, 

S. D. Minteer 

9:20 187. Nanomaterial enabled performance 

enhancements for Army coating 

and composite systems. J. A. Orlicki, 

A. A. Williams, N. E. Zander, W. E. Kosik, 

G. R. Martin, F. Levine, J. Escarsega, 

A. Farrell, A. M. Rawlett 



allyl-functional polycarbonates and polycarbonate/polysiloxane 

block copolymers. 

P. Majumdar, H. Bao, R. Sharma, 

E. Crowley, J. Bahr, B. J. Chisholm 

10:35 189. Porous epoxies formed from reaction 

induced phase separation with 

block copolymer porogens. 

A. B. Schoch, J. L. Lenhart 

10:55 190. Proton conductive polymer networks 

with high electrochemical selectivity. 

K. Xu, C. Chanthad, M. A. Hickner, 

Q. Wang 

11:15 191. Atomistic simulations of novel 

proton exchange membranes for fuel cell 

applications. C. V. Mahajan, V. Ganesan 

Section E 


Galleria 



Materials for Defense and Energy and 


P. Costanzo, D. Schiraldi, Organizers, 

Presiding 

9:30–11:00 


192. Temperature and stoichiometry effects 

in Cp2ZrClH-catalyzed living ring opening 

polymerization of �-caprolactone. 

A. D. Asandei, G. Saha, O. Adebolu 

193. Permeability of poly(ether block amide) 

(PEBAX): Effect of orientation. 

S. R. Armstrong, D. R. Paul, A. Hiltner, 

E. Baer 

194. Characterization of polymer blends for 

proton exchange membranes. 

B. Ince-Gunduz, J. Pan, R. Nawrocki, Jr., 

C. Sloan, A. Speranza, J. Wilson, 

T. W. Smith, P. Cebe 

195. Phase structure of electrospun poly(trimethylene 

terephthalate) composite 

nanofibers containing carbon nanotubes. 

Q. Ma, P. Cebe 

196. Silver nanocomposites of functionalized 

polymerizable silica precursor. 

M. Chauhan,E.Kim,M.Kaur 

197. Top-down meets bottom-up: Self-assembly 

of patternable block copolymers. 

M. A. Chavis, J. K. Bosworth, X. Andre, 

M. Paik, E. L. Schwartz, C. K. Ober 

198. Electrical properties and nanomorphology 

of well-defined conjugated polymer 

brushes. J. Chen,J.Alonzo,X.Yu, 

K. Hong, J. M. Messman, I. Ivanov, 

H. M. Meyer, M. Banerjee, R. Rathore, 

J. W. Mays, S. Kilbey 


Materials for Defense and Energy Posters 

199. Progress towards cyclopentadienyl lithium 

interactions as a novel supramolecular 

synthon. J. T. Foy 

200. Smart polymer-protein conjugates by 

RAFT polymerization and activated ester 

chemistry. H. Li, M. Li, A. P. Bapat, 


201. Electrospinning sheath-core structure 

based on poly(vinyl pyrrolidone) and multiwall 

carbon nanotubes. J. Miao, 

M. Miyauchi, T. J. Simmons, 

J. S. Dordick, R. J. Linhardt 

202. Encapsulation of Ag(I) N-heterocyclic 

carbene complexes with poly(lactic-coglycolic 

acid) (PLGA) and polyethylene 

glycol (PEG) using nanoprecipitation 

methods and studying effects on cancer 

cell lines. N. K. Robishaw, M. J. Panzner, 

D. M. Besse, M. Deblock, A. J. Ditto, 

Y. H. Yun, W. J. Youngs 

203. Polyacrylonitrile electrospun membrane 

for microfiltration. R. Wang, Y. Liu, 

H. Ma, D. Fang, B. S. Hsiao, B. Chu 



Sponsored by POLY, cosponsored by PMSE 


Section D 


Hancock 



Synthesis and Application of 

Nanocomposite Materials Financially 

supported by Air Force Office of Scientific 

Research, Army Research Office, Eastman 

Chemical Company, Office of Naval Research, 

and PPG Industries Foundation 


1:00 204. Strategies for loading nanocomposite 

materials. K. K. Stokes, 

M. C. Berg, F. L. Beyer, J. L. Lenhart 

1:25 205. Additive-driven assembly of block 

copolymer/nanoparticle composites. 

Y. Lin 

1:45 206. Functional polymer-based materials 

through controlled polymerization 

methods. R. B. Grubbs 

2:10 207. Quasi-transparent particle fillers 

for low scattering composite materials. 

S. Ojha, B. Hui, K. Matyjaszewski, 



3:05 208. Nanoparticle dispersion and energy 

damping in polymer composites. 

A. D. Richardson, O. McNair, G. Strange, 

P. J. Costanzo, D. A. Savin 

3:30 209. Network constrained surface 

phase separation. W. Zhang, C. Wang, 

K. J. Wynne 

3:55 210. Indirect reinforcement in polymer 

nanocomposites. M. E. Mackay 

Section A 




Storage and Conversion Solar Cells 

Financially supported by Dongjin Semichem 

Co., Ltd., Office of Research Affairs, Seoul 

National University, and WCU Program of 

Chemical Convergence for Energy and 

Environment funded by the Ministry of 


10013) 

J. Jang, K. Char, Organizers 

P. Theato, Organizer, Presiding 

Y. Sung, Presiding 

1:30 211. Interfacial aspects of polymer 

based photovoltaic structures. D. Chen, 

T. P. Russell 

2:00 212. Effect of additives on nanostructures 

in bulk heterojunction polymer cells. 

M. Dante, T. Nguyen 

2:30 213. Commercialization and industrialization 

in DSCs. C. Lee 


3:15 214. 3D nanoscale organization of 

printable solar cells. S. S. van Bavel, 

J. Loos 

3:45 215. Conjugated polymer/carbon 

nanotube composites. L. Zhai 

4:15 216. Nanostructured hybrid polymer/ 

phage templates for the construction of 

dye-sensitized solar cells. R. A. Miller, 

R. Ladewski, F. Liau, P. T. Hammond, 

A. Belcher 

4:35 217. Improved crystalline orientation of 

poly(3-hexyl thiophene) in bulk heterojunction 

polymer solar cells. J. Seok, 

M. Balik, H. W. Ade 

Section B 





Preclinical and Clinical Applications 

Financially supported by Cerulean Pharma, 

Inc. 


P. Lim Soo, S. Eliasof, Presiding 





PMSE 

TECH–121

PMSE TECHNICAL PROGRAM 


1:35 218. Development of potent stable nucleic 

lipid particle (SNALP) formulations 

for therapeutic siRNA delivery. 

S. C. Semple, A. Lee, A. D. Judge, 

J. Heyes, E. Yaworski, L. B. Jeffs, 

M. Robbins, L. R. Palmer, S. K. Klimuk, 

I. MacLachlan 

2:00 219. Phospholipid nanosomes and 

polymer nanospheres for the nanotechnology 

delivery of biologics, siRNA and 

hydrophobic anticancer drugs. 

T. P. Castor 

2:25 220. Drug delivery systems for combination 

chemotherapy: Challenges and 

opportunities. L. D. Mayer 

2:50 221. CRLX288, a novel polymeric 

nanoparticle, significantly improves the 

therapeutic window over the parent drug 

in preclinical studies in mice. S. Eliasof, 

P. Ng, P. Lim Soo, J. Podobinski, 

G. Gangal, R. I. Case, P. Shum, 

J. G. Martínez, S. R. Kabir, D. Lazarus, 

S. Svenson 

3:15 222. Rationale for design and early 

clinical development of IT-101, a cyclodextrin-polyethylene-glycol 

copolymer 

nanoparticle delivery of camptothecin. 

M. Wolfgang, J. Hwang, S. Svenson, 

J. Ryan, T. Synold, Y. Yen 


3:55 223. High-precision therapeutics 

through Medicinal Nanoengineering . 

J. Hrkach 

4:20 224. Applications of biodegradable and 

biocompatible polyacetal drug conjugates 

to improve drug delivery. 

T. B. Lowinger 

4:45 225. Cobalamin nanoparticles for oral 

and target drug delivery. R. Zarzycki, 

P. Sood, N. Ummaneni, J. L. Gerberich, 

D. P. Nowotnik 

5:10 226. Development of stable polymer 

micelles for the treatment of cancer. 

H. Skaff, J. Rios-Doria, A. Carie, 

G. Cardoën, B. Burke, K. Sill 

Section C 




Systems 

Physics of Confined Polymers Financially 

supported by Mitsubishi Chemical, BASF, 

Dow Chemical, and Kaneka 

A. Yee, H. Sue, J. Wong, Organizers 

K. Char, Presiding 

A. Takahara, Organizer, Presiding 

1:30 227. Segmental motion of polystyrene 

in its thin film studied by de-focus single 

molecule fluorescence microscopy. 

Z. Zheng, J. Zhao 

2:00 228. Dramatic effects of nanoscale 

confinement on glass transition temperature, 

physical aging, and diffusion in polymer 

flims and nanocomposites. 

J. M. Torkelson, S. Kim, H. Deng, 

C. M. Evans, R. D. Priestley, 

P. Rittigstein, M. K. Mundra, C. B. Roth 

2:30 229. Crystallization studies of linear 

polymers in carbon nanotube dispersions. 

M. L. Minus,S.Kumar 

2:50 230. Sharp lower critical solution temperature 

transition for novel N-isopropylacrylamide 

based polymer. M. E. Alf, 

T. Hatton, K. K. Gleason 

3:10 231. Using hydrogel stamping to explore 

nanoscale porosity formation in 

polyelectrolyte multilayers. C. Cho, 

N. S. Zacharia 



122–TECH 

3:45 232. Crowding effects on protein and 

nanoparticle solubility, relaxation and rate 

processes in fluid mixtures and entropyenthalpy 

compensation. J. F. Douglas, 

J. Dudowicz, K. F. Freed 

4:15 233. Visualizing the motion of polymer 

chains at an interface. J. S. Wong 

4:35 234. Molecular dynamics study of 

block copolymer thin film morphology: 

Effect of substrate and free surface. 

C. Forrey, K. G. Yager 

4:55 235. Fabrication and characterization 

of PMMA grafted imogolite nanotubes. 

W. Ma, H. Otsuka, A. Takahara 

Section E 


Galleria 




2:30–4:00 

236. Structural characterization of water soluble 

derivatives of cisplatin drugs from 

chelation with chitosan. C. E. Carraher, 

Jr., A. Francis Robinson 

237. 1 H NMR spectroscopy of organotin 

polyethers derived from dibutyltin dichloride 

and poly(ethylene glycols). 

C. E. Carraher, Jr., G. Barot 

238. Development of new interfacial system 

for the synthesis of ciprofloxacin-containing 

organotin poly(ether amines). A. Zhao, 

C. E. Carraher, Jr. 

239. Enhanced solubility of ciprofloxacin organotin 

poly(ether amines). A. Zhao, 

C. E. Carraher, Jr. 

240. Synthesis of water soluble derivatives 

of cisplatin drugs from chelation with chitosan. 

C. E. Carraher, Jr., 

A. Francis Robinson 

241. Chain length calculations for water soluble 

derivatives of cisplatin drugs from 

chelation with chitosan. 

C. E. Carraher, Jr., A. Francis Robinson 

242. Thermal properties of the products of 

lignin and organotin halides. 

C. E. Carraher, Jr., D. C. Sterling 

243. Electrical properties of the products of 

lignin and organotiin halides. 

C. E. Carraher, Jr., D. C. Sterling 

244. Organotin polyether structural similarities 

in the inhibiiton of estrogen-sensitive 

MCF-7 and non-estrogen-sensitive MDA 

cancer cells. M. R. Roner, 

C. E. Carraher, Jr., K. Shahi, G. Barot 

245. Nanotube forests for electrochemical 

energy storage from electrostatic assembly. 

L. Shao, W. Jang, J. L. Lutkenhaus 

246. Fluorescein derivatives functionalized 

silsesquioxnae/bridged silsesquioxane 

nanoparticles: Synthesis, characterization 

and particle morphology. C. J. Simouth, 

J. Binion, H. P. Rathnayake 


Section C 




Systems 

Nano-Mechanical Behaviour and 

Nanocomposites Financially supported by 

Mitsubishi Chemical, BASF, Dow Chemical, 

and Kaneka 

A. Yee, A. Takahara, H. Sue, Organizers 

J. Wong, Organizer, Presiding 

J. Zhao, Presiding 

8:00 247. Development and applications of 

polymer nanocomposites. A. Usuki 

8:30 248. Characterization of nanomechanical 

behavior of glassy polymers. L. Chen, 

Y. Kong, A. F. Yee 

8:50 249. Strain hardening induced by polymer 

nanoparticles in PA6. 

E. Huitrón-Rattinger, A. Romo-Uribe, 

M. E. Romero-Guzmán 

9:10 250. Nanoscaled deformations in block 

copolymer modified epoxies. D. Liu, 

H. Sue, Z. J. Thompson, F. S. Bates, 

M. A. Hillmyer, M. Dettloff, G. Jacob, 

N. Verghese, H. Pham 

9:30 251. Properties of poly(3-hexyl thiophene) 

under nano-confinement in the array 

of ordered TiO 2 nanotubes. 

T. R. Foong, A. Sellinger, Y. Shen, X. Hu 


10:05 252. Ultrathin multilayer thin films 

containing nano-objects. K. Char 

10:35 253. Preparation of nanocomposites 

with in situ synthesized nanoplatelets. 

C. S. Southworth, M. F. Milner, L. Sun 

10:55 254. Strengthening of epoxy based on 

hybrid nanofillers of MWCNT and clay. 

D. Sun, C. Chu, H. Sue 


Section D 


Stone 



Fabriaction of Electronic Materials 

Financially supported by Air Force Office of 

Scientific Research, Army Research Office, 

Eastman Chemical Company, Office of Naval 

Research, and PPG Industries Foundation 


8:00 255. Flexible, stretchable, and foldable 

electrodes for organic photovoltaics via 

oxidative chemical vapor deposition. 

M. C. Barr, C. M. Boyce, K. K. Gleason 

8:20 256. All-organic electrochromic fabric 

for wearable displays. Y. Ding, 

M. A. Invernale, G. A. Sotzing 

8:40 257. Simple method for making electrochromic 

devices containing novel conjugated 

polymer chromophores. 

M. A. Invernale, K. Lee, Y. Ding, T. Dey, 

D. Mamangun, G. A. Sotzing 

9:00 258. Series of new vinylene based conjugated 

polymers with sulfone phenylene 

and different donor co-monomers for energy 

applications. T. Nguyen, C. Zhang, 

R. Li, S. Sun 

9:20 259. Electroactive polymer brushes 

and nanocomposite films on ITO electrodes. 

B. Kim, R. Shallcross, 

N. R. Armstrong, J. Pyun 


10:15 260. Morphology study of PCBM/ 

P3HT organic photovoltaic with small angle 

neutron scattering. W. Yin, 

M. Dadmun 

10:35 261. Soluble pegylated polythiophenes: 

Synthesis and nitroaromatic 

sensing. A. Kokil, T. Ponrathnam, 

A. Kumar, R. Nagarajan, J. Kumar 

10:55 262. Ternary phase behavior of P3HTb-PEO 

compatibilized P3HT/PCBM films. 

J. Chen, X. Yu, K. Hong, J. M. Messman, 

D. L. Pickel, K. Xiao, B. Sumpter, 

M. D. Dadmun, J. W. Mays, S. Kilbey 

11:15 263. Functionalized quantum dots 

and nanoparticle-polymer composites. 

C. Miesch, I. Kosif, J. Lawrence, 

T. Emrick 


Section B 





Biointerfaces Cosponsored by COMP 

Financially supported by National Science 

Foundation 

R. Berry, Organizer 

H. Heinz, Organizer, Presiding 

8:30 264. Effects of single point mutations 

on peptide-mineral interactions: A combined 

experimental and computational 

approach. C. C. Perry 

9:05 265. Is variety the spice of life? Multiscale 

molecular simulations support experiments 

in nanocarrier/nucleic acid systems 

design. P. Posocco, M. Fermeglia, 

X. Liu, L. Peng, A. Malek, C. V. Catapano, 

D. K. Smith, S. Pricl 

9:40 266. Nature of molecular binding at the 

peptide/solid hybrid interfaces. 

M. Sarikaya, R. Samudrala, A. Jen, 

J. S. Evans, C. Tamerler 


10:30 267. Multiscale simulation of proton 

exchange membranes. G. A. Voth 

11:05 268. Force-field development for 

computer simulation of biomolecular systems: 

The GROMOS case. D. Steiner, 

W. F. van Gunsteren 

11:30 269. Interactions of peptides and 

ionic liquids with silica. R. Berry 

Section A 


Hancock 

General Papers/New Concepts in 

Polymeric Materials 

Energy/Responsive Polymers 


9:00 270. Characterization of perflourocyclobutane/polyvinylidene 

diflouride 

(PFCB/PVDF) blends for use as fuel cell 

proton exchange membranes. 

K. A. Finlay, D. A. Dillard, R. B. Moore, 

S. W. Case, M. W. Ellis, Y. Li, T. J. Fuller, 

S. M. Mackinnon, C. S. Gittleman, Y. Lai 

9:20 271. ESR detection of early events in 

the fragmentation of perfluorinated model 

compounds and relevance to the stability 

of polymeric membranes used in fuel 

cells. S. Schlick, M. Spulber 

9:40 272. Chemical degradation studies of 

aromatic model compounds for fuel cell 

membrane applications. D. M. Savant, 

T. A. Zaowdzinski Jr., D. A. Schiraldi 


10:20 273. Amine-functionalized polymeric 

nanocoatings for hydrolytically stable microfluidic 

devices. J. Xu, K. Gleason 

10:40 274. Hardblock-free thermoplastic 

polyurethanes (TPUs) exhibiting shape 

memory. X. Gu, P. T. Mather 

11:00 275. Study of the nanophase structure 

of poly(methacrylic acid) brushes 

synthesized via ATRP. E. Soto-Cantu, 

C. Deodhar, D. Uhrig, J. P. Hinestrosa, 

B. S. Lokitz, J. F. Ankner, S. M. Kilbey 

11:20 276. Amphiphilic polyurethanes: Synthesis, 

properties, and responsive behavior. 

A. Kohut, I. Hevus, A. Voronov 

11:40 277. Amphiphilic invertible polymers 

for adsolubilization on solid substrates of 

different polarity. A. Kohut, A. Voronov, 

V. Kislenko, L. Sieburg 

Section E 


Galleria 




9:30–11:00 

278. Cross-linked PB-PEO hybrid micelles 

for targeted delivery. T. P. Smart, 

E. G. Kelley, M. O. Sullivan, T. H. Epps III 






consent from ACS.

279. Fabrication of cationic polymer nanoparticles 

and their antimicrobial properties. 

J. Song, H. Kong, J. Jang 

280. Copolymer systems for graded index 

plastic optical fiber materials. H. Teng, 

Y. Okamoto 

281. Assemblies of gold nanorods via DNA 

hybridization. S. Vial, D. Nykypanchuk, 

O. Gang 

282. Physical characterizations and biocompatibility 

of poly(propylene fumerate)/ 

methacryl-polyhedral oligomeric silsesquioxane 

blends. K. Wang, S. Wang 

283. Rheological properties of poly(�-caprolactone) 

and its homo-blends. K. Wang, 

L. Cai, S. Wang 

284. Novel hyperbranched polyester as a 

nano-modifier on properties of poly(�-caprolactone). 

Y. Wang, H. Wang, Y. Chen, 

P. Lee, C. Huang, J. H. Xin, K. Cheuk 

285. Synthesis of biocompatible block copolymers 

using well-defined polyphosphoester 

macroinitiators. E. Yamaguchi, 

Y. Iwasaki 

286. Effect of carbon fiber and SiC powder 

on the ablation properties of the silicone 

rubber. E. Kim, T. Lee, S. Shin, K. Kim, 

J. Yoon 

287. Butadiene initiation with late and early 

transition metals from activated halides. 


288. Polystyrene-polylactide bottlebrush 

block copolymer at the air/water interface. 

L. Zhao, M. Byun, J. Rzayev, Z. Lin 

289. Self-assembly of ultrahigh molecular 

weight comb block copolymer at the air/ 

water interface. L. Zhao, N. B. Bowden, 

Z. Lin 


Section A 


Hancock 



Block Copolymers/Assembly 

D. Schiraldi, Organizer 

K. Wynne, Presiding 

1:30 290. Evaulation of the elastomeric 

phase development in the synthesis of 

high impact polystyrene using model 

block copolymers. C. de Anda, 

G. Morales, J. Sosa, D. Knoeppel, 

C. Garces, R. P. Quirk 

1:50 291. Using forced assembly co-extrusion 

to confine the self-assembly of elastomeric 

block copolymers to enhance 

material toughness. T. M. Burt, A. Hiltner, 

E. Baer, L. T. Korley 

2:10 292. Influence of soft segment molecular 

weight on the phase separation of 

polyurethane based polymer surface 

modifiers with polyoxetane soft segments. 

K. M. Brunson, A. Chakravorty, 

K. J. Wynne 

2:30 293. Directed silica assembly by functionalized 

block copolymer based Silicatein 

� mimic at neutral pH. G. Macek, 

D. H. Adamson 


3:10 294. Synthesis and controlled assembly 

of nano-rods with hydrodynamic 

forces. L. Zhang, J. L. Lutkenhaus 

3:30 295. Stimulus-responsive ultrasound 

contrast agents from microbubbles stabilized 

by polymer-phospholipid assemblies. 

A. P. Goodwin, M. A. Nakatsuka, 

M. J. Hsu, R. F. Mattrey, S. C. Esener, 

J. N. Cha 

3:50 296. Confinement effects on the thermochemical 

properties of layer-by-layer 

assemblies. W. Jang,L.Shao,T.Goh, 

J. Lutkenhaus 

4:10 297. Preparation of nanostructured titanium 

dioxide using block copolymer 

templates. P. S. Chinthamanipeta, 

Q. Lou, D. A. Shipp 

4:30 298. Dynamic viscoelasticity and concentration 

dependence of micelle-gel 

transition of S mNtBAM n diblock copolymer 

solutions. N. Sharma,R.M.Kasi 

Section B 





Multiscale Simulation of Polymeric 

Materials Cosponsored by COMP Financially 

supported by National Science Foundation 

H. Heinz, Organizer 

R. Berry, Organizer, Presiding 

1:30 299. Exploring peptide-surface binding: 

A molecular simultation perspective. 

T. Walsh, R. Notman, S. M. Tomasko 

2:05 300. Multiscale modeling paradigm for 

complex materials and their interfaces. 

T. Cagin 

2:40 301. NanoModel: Multiscale modeling 

of nanostructured polymeric materials. 

H. Weiss 


3:30 302. Molecular dynamics simulation of 

thermoset fracture with micromechanics 

analysis integration. J. C. Moller, 

L. Ward, V. Bechel, R. Berry, 

T. Breitzman, E. Iarve, D. Mollenhauer, 

M. Unroe 

4:05 303. From the atomistic to the mesoscale 

and back: Hierarchical simulation 

models for multicomponent systems. 

C. Peter, K. Kremer 

4:30 304. Multiscale molecular modeling: A 

nano-engineering tool for the design of 

hybrid organic/inorganic materials. 

S. Pricl 

Section C 





Conductive/Electronic Polymers 


T. J. Simmons, Presiding 

1:30 305. Biomimetic, hierarchical, multidimensional 

patterning of conductive polymers 

on high-aspect-ratio microstructures. 

P. Kim, L. D. Zarzar, A. K. Epstein, 

J. Aizenberg 

1:50 306. New method to prepare conjugated 

polymers: Polyarylsiloxane as precursors 

to conjugated polymers. K. Lee, 

G. A. Sotzing 

2:10 307. Conjugated polymers prepared inside 

assembled solid-state devices. 

D. D. Mamangun, M. A. Invernale, 

Y. Ding, M. S. Yavuz, G. A. Sotzing 

2:30 308. Patterned, oscillating, pH-responsive 

actuation of polymeric microstructures 

in fluid. L. D. Zarzar,P.Kim, 

J. Aizenberg 


3:10 309. Controlling porosity in conjugated 

microporous polymer networks. 

R. Dawson,D.J.Adams,A.I.Cooper 

3:30 310. Photovoltaic cells with low 

bandgap polymer of thienothiophene derivatives. 

W. Bae, C. Scilla, W. Jo, 

E. B. Coughlin 

3:50 311. High � core-shell nanoparticle 

polymer composites for RF magnetodielectric 

applications. T. Yang, 

R. N. Brown, P. Kofinas 

4:10 312. Electrospun polyvinylpyrrolidone 

and cellulose fibers with magnetic nanoparticles 

for electromagnetic applications. 

T. J. Simmons,J.Miao, 

M. Miyauchi, J. S. Dordick, R. J. Linhardt 


sterically crowded polyanions with tunable 

charge densities. Y. Li,M.Mao, 

S. R. Turner 

Section D 


Stone 



Hydrogels/Aerogels 


1:30 314. Swelling kinetics of hydrogels of 

cellulose acetate. C. G. dos Santos, 

V. A. Oliveira, V. R. Botaro, V. A. Leão 

1:50 315. Photocleavable polymer side 

groups to spatially alter hydrogel properties 

and cellular interactions. J. S. Katz, 

V. V. Ramanan, M. Guvendiren, 

J. A. Burdick 

2:10 316. Injectable in-situ physical and 

chemical crosslinkable hydrogels. H. Du, 

B. Mohr, M. Muthukumar, P. D. Hamilton, 

N. Ravi 

2:30 317. Visoelastic and dynamic light 

scattering characterization of helix-coil 

hybrid hydrogels. M. Muthukumar, 

P. D. Hamilton, B. Mohr, S. Kaushal, 

H. Du, N. Ravi 


3:10 318. Mechano-responsive hydrogels 

via biomimetic approaches. 

S. E. Grieshaber, L. Xiao, C. Liu, X. Jia 

3:30 319. Porous monolithic silicon carbide 

aerogels from polyacrylonitrile-coated 3D 

silica networks. A. G. Sadekar, 

N. Chandrasekaran, C. Sotiriou-Leventis, 

N. Leventis 

3:50 320. pH-tailoring electrical and mechanical 

behavior of polymer-clay-nanotube 

aerogels. L. Liu, M. D. Gawryla, 

J. C. Grunlan, D. A. Schiraldi 

4:10 321. Effects of freezing conditions on 

the morphology and mechanical properties 

of clay aerogels. Y. Wang, 

M. D. Gawryla, D. A. Schiraldi 

4:30 322. New interconnected macroporous 

oxide materials by phase separation of 

bis(trimethoxysilyl)hexane with poly- 

(acrylic acid). J. J. Heikkinen, V. Telkki, 

O. E. Hormi 



Reception Sponsored by POLY, 

Cosponsored by PMSE and PRES 


Section B 





Polymers, Fibers and Nanocomposites 

Cosponsored by COMP Financially supported 

by National Science Foundation 

R. Berry, Organizer 

H. Heinz, Organizer, Presiding 

8:30 323. Molecular dynamics simulations 

of responsive semi-fluorinated interfaces. 

G. S. Grest, F. Pierce, D. Perahia 

9:05 324. Modeling of energy dissipation in 

supramolecular polymers. J. Andzelm, 

C. Rinderspacher, R. Lambeth, A. Rawlett 

9:40 325. Modeling of thermal transport in 

polymer nanocomposites. B. L. Farmer, 

V. Varshney, S. S. Patnaik, A. K. Roy 


10:30 326. Wetting phenomena on solid 

nanofibers. M. A. Amat, G. C. Rutledge 

11:05 327. Modeling nanoporous structure 

by radical polymerization: Brownian dynamics 

simulation approach. K. Kim, 

S. Park, S. Hwang, M. Cho 

11:30 328. Atomistic level description of 

quantum dots/organic ligands by ab initio 

calculations. R. V. Belosludov, 

H. Mizuseki, A. Kasuya, Y. Kawazoe 

Section A 


Hancock 



Nanocomposites 


R. Tiwari, Presiding 

8:40 329. Exposed hydroxyapatite (HA) particles 

on the surface of photo-crosslinked 

poly(�-caprolactone)/HA nanocomposites 

and promoted MC3T3 cell responses. 

L. Cai, S. Wang 

9:00 330. Polymeric nanocomposites based 

on HIPS/silver nanoparticles: Effect of silver 

nanoparticles partially oxidized on the 

reaction evolution and morphology. 

G. Morales, F. Soriano-Corral, 

L. Ramos de Valle 

9:20 331. Percolation behavior of multiwalled 

carbon nanotubes/high density 

polyethylene composites and melt processing: 

Re-aggregation time scale as a 

factor in the formation of MWCNT networks. 

F. Yepez Castillo,B.P.Grady, 

D. E. Resasco 

9:40 332. Dielectric and EMI shielding behavior 

of PTT/MWCNT composites in microwave 

region. A. Gupta, V. Choudhary 


10:20 333. Binary nanocomposites of 

Maghnia bentonite and poly (methyl 

methacrylate–co-4-vinylpyridine) prepared 

using neutral Ni(II)�-benzoinoxime 

complex as initiator. S. Djadoun, 

H. Harrar-Ferfara, K. Ouaad 

10:40 334. PMMA-silica-ionic liquid hybrid 

membranes: Toward excellent mechanical 

properties/ionic conductivities compromise. 

F. Gayet,L.Viau,F.Leroux, 

S. Monge, J. Robin, A. Vioux 

11:00 335. Polyimide/organosilicate hybrid 

polymers with improved thermal and optical 

properties. Y. Jung,S.Kim,Y.Yang, 

E. Cho, B. Sohn 

11:20 336. Moisture susceptibility of hydrophobic 

nanoclay composites. 

E. Dunkerley,D.F.Schmidt 

11:40 337. TPO nanocomposites: Effect of 

maleic-anhydride grafted PP (PP-g-MA)/ 

organoclay (OC) ratio on morphology and 

mechanical properties. R. R. Tiwari, 

D. R. Paul 

Section C 





Biological Aspects 


K. Schreck, Presiding 

8:40 338. Polyethylene glycol (PEG): A potential 

substrate for promoting cell selfassembly. 

Y. Lu, J. Dai, Q. Meng 

9:00 339. Bio-elastomer based on resilinlike 

polypeptides. L. Li, K. L. Kiick 

9:20 340. Photopolymerized methacrylate: 

Thiol-ene networks for dental restorative 

applications. K. M. Schreck, 

N. B. Cramer, C. Couch, J. E. Boulden, 

J. W. Stansbury, C. N. Bowman 





PMSE 

TECH–123

PMSE/PROF TECHNICAL PROGRAM 

9:40 341. Enhanced PC12 cell responses to 

polyethylene glycol diacrylate-based hydrogels 

grafted with photo-polymerizable 

poly-L-lysine. L. Cai, S. Wang 


10:20 342. Effect of soft block molecular 

weight on surface-accessible charge 

concentration in antimicrobial coatings. 

M. L. Gupta, K. Brunson, A. Chakravorty, 

P. Kurt, J. C. Alvarez, F. Luna-Vera, 

K. J. Wynne 

10:40 343. Synthesis of guanidine-based 

polymers with chain extension for antibacterial 

cellulose fibers. L. Qian, 

Y. Guan, A. Zheng, H. Xiao 

11:00 344. P[AB] copolyoxetanes: A novel 

class of biocide. P. Kurt, S. Chakrabarty, 

A. Wood, D. Ohman, L. Wood, 

K. J. Wynne 

11:20 345. Poly(�-caprolactone) and its homo-blends: 

Regulated material properties 

and cell responses. K. Wang, L. Cai, 

S. Wang 

Section D 


Stone 



Thermoset/Polymer Mechanics 


R. Mrozek, Presiding 

8:40 346. Effects of submicron and nanoscale 

core-shell rubber on the volume 

shrinkage in the cure of vinyl ester resins. 

Y. Huang, H. Chang, J. Huang, T. Hsu, 

Y. Hsieh 

8:40 347. Reaction mechanism and products 

of the thermal conversion of hydroxy-containing 

polyimides. 

J. H. Hodgkin, M. Liu, B. N. Dao, A. J. Hill 

9:00 348. NEXAFS characterization and mechanical 

testing of engineered epoxy/ 

substrate interfaces. A. B. Schoch, 

D. A. Fischer, J. L. Lenhart 


unmodified and modified resole phenolic 

resins. D. T. Watkins, M. Hosur, 

M. Reeves, A. Ludwick, M. Moore 


10:00 350. Curing of cyanate esters utilizing 

frontal polymerization. V. Viner 

10:20 351. Effect of crosslinking density on 

the photomechanical behaviors of azoliquid 

crystalline polymer networks. 

K. Lee, T. J. Bunning, T. J. White 

10:40 352. Impact of sol molecular weight 

on the mechanical properties and fracture 

behavior of elastomeric polysiloxanes. 

R. A. Mrozek, P. J. Cole, J. L. Lenhart, 

M. C. Berg, K. R. Shull, K. J. Otim 

11:00 353. Stress relaxation behavior and 

mechanical properties of functionalized 

polyolefins. R. H. Brown, J. M. Pickel, 

A. K. Naskar 

11:20 354. Dynamic-covalent macromolecular 

stars. A. P. Bapat,D.Roy, 



Section B 





Inorganic Interfaces and Biomaterials 

Cosponsored by COMP Financially supported 

by National Science Foundation 

H. Heinz, Organizer 

R. Berry, Organizer, Presiding 



124–TECH 

1:35 356. Molecular simulation studies of 

oxide and mineral interfaces. 

S. C. Parker, T. Shapley, R. Zhu, 

M. Molinari 

2:10 357. Toward understanding nonbonded 

interactions at a single-wall carbon 

nanoturbe-DNA nucleobase interface. 

B. Akdim, S. N. Kim, R. N. Naik, 

R. Pachter 


3:00 358. Turning weakness into strength: 

How protein materials balance strength, 

robustness and adaptability. 

M. J. Buehler 

3:35 359. Molecular modeling investigation 

of binding and activity of horseradish peroxidase 

immobilized on a PHEMA polymer 

brush. Z. Kuang,S.M.Lane, 

B. L. Farmer, R. R. Naik, R. A. Vaia 

4:00 360. Molecular models and methods to 

understand self-assembly of inorganicbioorganic 

multiphase materials. 

H. Heinz 

4:25 361. Chemical signaling across an array 

of biomimetic microcapsules. 

A. Bhattacharya, A. C. Balazs 

Section A 


Hancock 



New/Green Materials 


S. Worley, Presiding 

1:30 362. Novel generation of biodegradable 

elastomers with highly tunable mechanical 

and degradation properties. 

M. Nunes Pereira, D. Sarkar, S. Mureli, 

L. Ferreira, J. Karp 

1:50 363. Unclicking the “click”: A photo-releasable 

1,2,3-triazole in block copolymers. 

E. S. Sterner, T. Tsai, E. Coughlin 

2:10 364. Stimuli responsive polymer nanotubes 

by initiated chemical vapor deposition. 

G. Ozaydin-Ince, G. Demirel, 

K. K. Gleason, M. C. Demirel 

2:30 365. Novel thioester-based degradable 

polymers: Synthesis, drug release and 

application. M. J. Boerakker, 

T. A. Kockelkoren, I. T. Arkesteijn, 

J. G. Lebouille, P. Bruin, M. R. Houben, 

T. Blezer, W. Wetzels, A. A. Dias, 

R. W. Bolderman, F. H. van der Veen, 

J. G. Maessen 


3:10 366. Polymeric coatings containing 

mixed tocopherols to improve the UV and 

heat resistance of leather. C. Liu, 

N. P. Latona, L. Liu, M. L. Aldema-Ramos 

3:30 367. Effects of branched crystal structures 

on gas permeability of poly(lactic 

acid) membranes. H. Sawada, 

Y. Takahashi, S. Miyata, S. Kanehashi, 

S. Sato, K. Nagai 

3:50 368. Mechanism of decomposition of 

antimicrobial N-halamine siloxane coatings. 

H. B. Kocer, A. Akdag, 

S. D. Worley, R. M. Broughton, Y. Wu 

4:10 369. Effect of phenyl derivatization on 

several properties of N-halamine antimicrobial 

siloxane coatings. H. B. Kocer, 

S. D. Worley, R. M. Broughton, 

T. S. Huang 

PROF 

Division of Professional 

Relations 

R. Libby, Program Chair 


Executive Committee Open Meeting, 

4:00 PM: Tue 


Combating Disease: The Role of 

Biotechnology-based Small Businesses 

Sponsored by SCHB, Cosponsored by PROF 

Non-Tenure Track Faculty Swimming 

Outside the Tenure Stream Sponsored by 

WCC, Cosponsored by CPT and PROF 


Section A 


Room 158 

Tribute to Tom Kucera: The Ultimate 

Professional Cosponsored by CWD 

E. A. Nalley, Organizer 

B. Moriarty, Organizer, Presiding 

1:30 1. Tom Kucera: A reflection on the life 

of a man of great courage, integrity, and 

honor. J. P. Shoffner 

2:00 2. Tom Kucera and Chemistry Day. 

D. S. Crumrine 

2:30 3. Tom Kucera, career counselor. 

D. L. Miner 


3:15 4. Tom Kucera showed us how! We all 

can. . .because. J. A. Summers-Gates 

3:45 5. Tom Kucera: The ultimate professional. 

E. A. Nalley 

4:15 6. Lighthouse on the stormy seas of a 

troubled world. A. Pavlath 

Building Businesses Based on the 

Integration of Basic & Applied Research 

Sponsored by SCHB, Cosponsored by PROF 








Section A 


Room 159 

Genesis of a Chemical Business 

Cosponsored by BMGT, SCHB, and YCC 

A. C. Myers, Organizer, Presiding 


8:35 7. Discovery to delivery: How Purdue 

Research Foundation transforms Purdue 

University inventions to start-up companies 

and commercialization opportunities. 

J. D. Gortat 

9:05 8. The university in the genesis of 

chemical businesses: Then and now. 

P. T. Kissinger 

9:35 9. Becoming a biotechnology company. 

S. J. McKenzie 

10:05 10. Genesis of a CRO in organic and 

medicinal chemistry. P. Meltzer 





WCC 


Section A 


Room 159 

Senior Chemists Interface with Local, State 

and National Government Cosponsored by 

SCTF 

M. R. Smith, Organizer, Presiding 


1:35 11. ACS Senior Chemists Task Force: 

An overview. E. Pearce, C. H. Brown, 

H. Cheng 

1:55 12. Review of the ACS State Government 

Affairs program. J. Brown 

2:15 13. Establishing a successful state 

government affairs network: The Tennessee 

example. J. K. Sanders, 

P. J. MacDougall 


2:50 14. Tennessee Government Affairs 

Committee’s role as a STEM resource for 

Tennessee in the Race to the Top – including 

the who, what, when, where, and 

why. R. A. Woodall 

3:10 15. First encounters in chemistry: A 

one year pilot program to improve instruction 

in the local public elementary 

schools. W. M. Seymour 


Highlighting 15 Successful Years Sponsored 

by PRES, Cosponsored by CMA, CTA, CWD, 

PROF, WCC, and YCC 

Best Practices for Entrepreneurs: Panel 

Discussion Sponsored by SCHB, 

Cosponsored by PROF and YCC 



Cosponsored by BIOL, MEDI, and PROF 


Mastering Technical Sales in a Small 

Business Sponsored by SCHB, Cosponsored 

by PROF 


Getting to the Table Sponsored by PRES, 

Cosponsored by CMA, JSD, PROF, and WCC 


True Stories of Success from Chemical 

Entrepreneurs Sponsored by SCHB, 





PROF, and YCC 


Section A 


153C 


Cosponsored by BMGT, SCHB, and YCC 

A. C. Myers, Organizer, Presiding 

5:00–7:00 

16. Social networking your way through the 

job market. C. B. Hollandsworth, 

W. S. Case 

17. Forming a lesbian, gay, bisexual, and 

transgender community in the chemical 

sciences. G. L. Heard,B.C.Chan 






consent from ACS.

18. Subdivisions: Creating diversity within 

the Division of Professional Relations. 

A. C. Myers, C. J. Bannochie, 

J. C. Crawford 

19. Legacy of Dr. Henry A. Hill. 

L. M. Watkins 

20. Workings and rewards of the YCC Leadership 

Development Workshop: An insider’s 

pitch. U. I. Zakai, D. S. Sherwood, 

R. S. Konduri, I. F. Thorpe, P. Tao 



Property Sponsored by SCHB, Cosponsored 

by CHAL and PROF 


Integrated Marketing for Small, Science- 

Focused Businesses Sponsored by SCHB, 

Cosponsored by PROF 






SCHB 

Division of Small 

Chemical Businesses 

J. Sabol, Program Chair 


Developing and Losing Your 

Intellectual Property (see CHAL, Wed) 

Where’s the Good Stuff? Consumer 

Health Information, and Social 

Networking Resources and Services 

(see CINF, Mon ) 


Outside the Tenure Stream (see WCC, 

Sun) 

Careers in Chemistry (see SOCED, 

Sun) 

Senior Chemists Interface with Local, 

State and National Government (see 

PROF, Mon) 

Nutrition and Brain Aging (see AGFD, 

Tue) 



Reception, 5:00 PM: Mon 

Coffee, 8:30 AM: Wed 


Executive Committee Meeting, 

3:45 PM: Mon 

Business Meeting, 4:15 PM: Tue 


Section A 


Room 212 

Combating Disease: The Role of 

Biotechnology-based Small Businesses 


M. Chorghade, Organizer, Presiding 


9:05 1. Fascinating adventures in development 

of a drug from conception to commercialization: 

A personal perspective. 

M. S. Chorghade 

9:30 2. Novel strategies for the treatment of 

genetically-resistant colorectal cancer. 

P. Manivasakam, P. R. Chjaturvedi 

9:55 3. EMPIRIKO: Refinement of clinical trials. 

P. Randhawa 


10:35 4. Say that again: How big is the market 

for your product? L. Einck 

11:00 5. When is the good time to start: Any 

time is a good time. R. S. Rajur 

11:25 6. Chemical genomics: How do we 

combat disease. C. P. Austin 

11:50 7. Bridging the gap: Academic excellence 

to a fundable enterprise. 

T. J. McMurry 



Section A 


Room 212 

Building Businesses Based on the 

Integration of Basic & Applied Research 


M. Chorghade, Organizer, Presiding 


1:05 8. Building contract research businesses 

based on integration of basic and 

applied research: Value creation and new 

opportunities in medicinal chemistry and 

drug discovery. M. S. Chorghade 

1:30 9. V-LABS, INC., in the carbohydrate 

and polysaccharide sectors: Problem 

solving for the pharmaceutical, food, biotech 

industries. S. V. Vercellotti, 

J. R. Vercellotti 

1:55 10. Novel pyrrolobenzodiazepine dimer 

(PBD) DNA minor groove binders for the 

treatment of genetically-resistant cancers 

with DNA mismatch repair deficiencies. 

P. R. Chaturvedi, P. Manivasakam 

2:20 11. Solving the puzzle of the unused 

inks and other chemical materials. 

S. Bhatia 


3:00 12. PCI Synthesis: The only constant is 

change. E. Price 

3:25 13. CiVentiChem: Creating better 

chemistry. B. Venepalli 

3:50 14. New businesses based on the RCM 

reaction. R. H. Grubbs 

4:15 15. Practical drug discovery strategy. 

C. M. Baldino 






Section A 


Room 212 


Federal Grants & Contracts Cosponsored by 

BMGT, PROF, and WCC 

C. White, Organizer 

J. White, Presiding 


9:10 16. Maximizing your potential for success 

by knowing your options in the 

Small Business Innovation Research 

(SBIR) program. C. Mabry 

9:50 17. Commercializing your invention: 

Getting to step one. J. R. White 

10:30 18. Financing technology and product 

development with the Federal SBIR program. 

D. C. Demirjian 

11:10 19. Bootstrapping your high tech 

business using federal R&D funding. 

L. Bowen 



the Interface 




GSSPC, HIST, I&EC, INOR, NUCL, ORGN, 

POLY, PRES, SCHB, and WCC 



YCC 


Section A 


Room 212 


Discussion Cosponsored by PROF and YCC 

J. Sabol, Organizer, Presiding 


1:35 20. Opening remarks for best practices 

for entrepreneurs panel discussion. 

M. Strem, E. Price, L. Evans, J. Steig 




Section A 


Hall C 

Sci-Mix 

J. Sabol, Organizer 

M. Chorghade, Presiding 

8:00–10:00 


21. SCHB: The Division of Small Chemical 

Businesses. M. Chorghade, S. Seeling, 

S. Vercellotti, J. Sabol 

22. Photochemical reactions of some phenols 

and amines. J. Zhang 



Section A 


Room 212 

Mastering Technical Sales in a Small 

Business Cosponsored by PROF 

D. Jarvis, Organizer, Presiding 


8:40 23. Five sales essentials for entrepreneurs. 

R. Bauman 

9:25 24. Get your point across in 30 seconds. 

D. Jarvis 


10:20 25. How to launch new technologies. 

C. Steger 

11:05 26. Getting professional help. 

D. Jarvis 



Sponsored by BMGT, Cosponsored by CEPA, 

SCHB, SOCED, and WCC 


Section A 


Room 212 


Entrepreneurs Cosponsored by PROF and 

YCC 

J. Sabol, Organizer 

J. Lauterbach, Presiding 


1:05 27. Progressive summer research internships: 

Foundations for a career in research 

as a medicine man. 

R. S. Chorghade, P. Manivasakam, 

M. S. Chorghade 

1:35 28. Sensors for medicine and biotechnology 

from interdisciplinary university research: 

The Cantimer story. 

M. P. Eastman, T. L. Porter, R. Stracey, 

R. Stewart 

2:05 29. Starting a research program in a 

very small chemical business. 

J. H. Lauterbach 


2:45 30. Birth, infancy and adolescence of 

Midwest Chemical Safety, LLC: What defines 

success? H. J. Elston 

3:15 31. It all started over a beer: From the 

classroom to commercialization. 

A. Beard 








SCHB, and YCC 


Section A 


Room 212 


Property Cosponsored by CHAL and PROF 

Financially supported by Osha Liang LLP 

C. Burton, Organizer, Presiding 

8:30 Coffee 


8:50 32. A rocket scientist takes aim at demystifying 

the patenting process: A 

primer on obtaining patent protection for 

your inventions. T. D. Hain 

9:20 33. Timing is everything: When to file a 

patent application. C. Burton 

9:50 34. Information disclosure in a U.S. 

patent application. B. Rothermel 


10:35 35. Trademark strategies and considerations. 

L. T. Mikeska 

11:05 36. Protecting trade secrets in the 

current economy. K. B. Drake 

11:35 37. Negotiating a technology licensing 

agreement. L. Witbeck 



Section A 


Room 212 

Integrated Marketing for Small, Science- 

Focused Businesses Cosponsored by PROF 

M. Stegman, Organizer, Presiding 

PROF/SCHB 


1:35 38. Marketing communications and its 

impact on your business. M. Stegman 

1:50 39. Successful public relations and 

marketing communications planning. 

M. Linn 

2:15 40. What can graphic design do for 

your business? M. Stegman 

2:40 41. Integrating social media into your 

marketing mix. C. Tanowitz 





TECH–125

SCHB/CCS/CCPA/CWD/CEPA/CEI TECHNICAL PROGRAM 

CMA/CPT/CTA/COMSCI 


3:20 42. Breakout Sessions: Work with the 

experts. M. Stegman, M. Linn, 

C. Tanowitz 

4:50 43. Integrated marketing for small, science-focused 

businesses. M. Stegman, 

M. Linn, C. Tanowitz 



Section A 


Room 212 



Owners Cosponsored by CINF, COMP, and 

PROF 

M. V. Petrova, Organizer, Presiding 


8:35 44. Best practices in scientific computer 

modeling. M. V. Petrova 

9:05 45. New wave of computational tools 

for the leads selection in biomedical industry. 

A. D. Costache,D.D.Knight, 

J. Kohn 

9:35 46. Computational modeling of soft 

condensed matter and biomaterials. 

J. Ghosh 

10:05 47. First-principles computational approach 

for the characterization and design 

of novel organic electronic materials. 

R. S. Sanchez-Carrera, A. Aspuru-Guzik 


10:50 48. Recent advances in structurebased 

drug design. W. Sherman 

11:20 49. Computer simulation of ligand 

binding to a flexible protein target. 

P. W. Payne 

11:50 50. FAST Predictions of protein stability 

and flexibility. D. R. Livesay, H. Wang, 

D. J. Jacobs 

12:20 51. Patentability of computer simulations 

and models. N. Malgeri 


CCS 

Committee on Chemical 

Safety 


Laboratory Safety Sponsored by PRES, 

Cosponsored by CCS, CHAS 

CCPA 

Committee on 

Chemistry and Public 

Affairs 

K. Omberg, Program Chair 



the Interface 







126–TECH 

CWD 

Committee on Chemists 

with Disabilities 

J. Summers-Gates, Program 

Chair 


Tribute to Tom Kucera: The Ultimate 

Professional Sponsored by PROF, 

Cosponsored by CWD 






CEPA 

Committee on Economic 

and Professional Affairs 

T. Hubler, Program Chair 









CEI 

Committee on 

Environmental 

Improvement 

E. Warren, Program Chair 


Section A 


Room 253C 



Machine Cosponsored by CHED and ENVR 

E. Warren, Organizer, Presiding 

7:00 1. Chemistry and the Environment film 

series and discussion: “Tara, Journey to 

the Heart of the Climate Machine”. 

E. Warren 

CMA 

Committee on Minority 

Affairs 

L. Watkins, Program Chair 














PROF, and YCC 

CPT 

Committee on 

Professional Training 

K. Larive, Program Chair 












Sponsored by PRES, Cosponsored by CPT 

and SOCED 





and SOCED 

CTA 

Committee on 

Technician Affairs 

J. K. Barrett, Program Chair 








Sponsored by I&EC, Cosponsored by CTA 

and WCC 

COMSCI 

Committee on Science 

D. Nelson, Program Chair 



Reforming, WGS, or Gasification Sponsored 

by FUEL, Cosponsored by COMSCI 


Section A 


Room 211 

AES Science and Technology Hydrogen as 

a Resource Cosponsored by CATL, FUEL, 

I&EC, INOR, and PMSE 


K. Glasgow, M. Cesa, Organizers, 

Presiding 


1:10 1. Enabling renewable integration and 

electrification of the transportation sector 

using wind generated hydrogen. 

G. M. Sverdrup,D.M.Steward 

1:50 2. Inexpensive solar electrolyzer for the 

poor of the non-legacy world. 

D. G. Nocera 

2:30 3. Fuel cells and the energy landscape. 

H. D. Abruna 

2:50 4. Hydrogen storage in carbon materials. 

D. Qu 

3:10 5. Economic factors in the future energy 

systems. J. Reilly 




Reforming and H2 Storage Sponsored by 

FUEL, Cosponsored by COMSCI 



Membrane Technology and H 2 Application 

Sponsored by FUEL, Cosponsored by 

COMSCI 


Section A 


Room 211 

Formal and Informal Education Platforms 

for Sustainable Energy Systems 

J. Bell, N. Bentenitis, Organizers 

R. Wingfield, Presiding 

D. Nelson, Organizer, Presiding 


1:40 6. MIT energy studies minor: An alternative 

approach to energy education. 

J. Steinfeld,A.C.Graham 

2:10 7. Defining energy technician jobs and 

sharing educational resources. 

M. Docherty 

2:40 8. Creating solutions for the public in 

wind power development. R. Snyder 






consent from ACS.

3:10 9. Models and resources for informal 

sustainable energy systems education. 

R. C. Wingfield Jr. 




Biological and Solar Methods Sponsored by 

FUEL, Cosponsored by COMSCI 




PROF, and YCC 

IAC 

International Activities 

Committee 

J. Benham, Program Chair 




Sponsored by CHED, Cosponsored by, IAC, 

PRES, SCTF, SOCED, WCC, and YCC 

JSD 

Joint Subcommittee on 

Diversity 

T. Q. Gray, Program Chair 









PROF, and YCC 

SCTF 

Senior Chemists Task 

Force 

E. Pearce, Program Chair 







Senior Chemists Interface with Local, State 

and National Government Sponsored by 

PROF, Cosponsored by SCTF 

SOCED 

Society Committee on 

Education 

M. Carroll and S. Majorski, 



Section A 


Room 103 

Nutritional Chemistry Symposium 

Cosponsored by AGFD 

S. Majorski, Organizer, Presiding 


10:50 1. Chemical composition, antioxidant 

activity, and cancer antiproliferation effects 

of grape, apple, and tomato pomaces. 

J. W. Parry, J. Liu, H. Li, K. Zhou, 

L. Zhang 

11:20 2. Application of chemistry to food. 

J. W. Finley 

11:50 3. Molecules to mozzarella: The 

chemistry of cheese. M. H. Tunick 



Section A 


Room 103 

Careers in Chemistry 

What it’s Like in the Real World and How Do 

I Get the Job? Cosponsored by AGFD 

S. Majorski, Organizer, Presiding 

2:00 Panel Discussion. L. Thackery, 

J. W. Finley, M. Tunick 






Section A 


Room 103 

Eminent Scientist Lecture 

Dendrimer-Based Nanomedicine 


11:55 4. Dendrimer-based nanomedicine: 

Its impact on biology, pharma delivery, 

MRI imaging, and polyvalent targeted 

therapies. D. A. Tomalia 

12:35 Luncheon 





and SOCED 





and SOCED 


Agricultural and Food Chemistry Sponsored 

by CHED, Cosponsored by AGFD and SOCED 


Analytical Chemistry Sponsored by CHED, 

Cosponsored by ANYL and SOCED 


Biochemistry Sponsored by CHED, 

Cosponsored by BIOL and SOCED 


Chemical Education Sponsored by CHED, 

Cosponsored by SOCED 


Environmental Chemistry Sponsored by 

CHED, Cosponsored by ENVR and SOCED 


Geochemistry Sponsored by CHED, 

Cosponsored by GEOC and SOCED 


Inorganic Chemistry Sponsored by CHED, 

Cosponsored by INOR and SOCED 


Medicinal Chemistry Sponsored by CHED, 

Cosponsored by MEDI and SOCED 


Nanotechnology Sponsored by CHED, 

Cosponsored by SOCED 


Physical Chemistry Sponsored by CHED, 

Cosponsored by PHYS and SOCED 


Polymer Chemistry Sponsored by CHED, 

Cosponsored by POLY and SOCED 









WCC 

Women Chemists 

Committee 

A. Charlebois and 

J. Iriarte-Gross, Program Chairs 


Women Chemists of Color Summit: 

Staying at the Table (see PRES, Tue) 

Anna Jane Harrison: ACS President, 

Her Science and Her Legacy (see 

HIST, Mon) 

Fragrance Design: A Creative 

Challenge (see I&EC, Tue) 

Encouraging Disadvantaged 

Students into Careers in the 

Chemical Sciences (see PRES, Tue) 


JSD Reception, 6:30-8:00 PM: Mon 

Eli Lilly Poster Session and 

Reception, 11:00 AM-12:00 PM: Tue 

“Just Cocktails”, 4:00-6:00 PM: Tue 

Women in Industry Breakfast, 

7:30-9:00 AM: Mon 

WCC Luncheon, 12:00-1:30 PM: Tue 


WCC Executive Session, 

8:00 AM-5:00 PM: Sat 

COMSCI/IAC/JSD/SCTF/SOCED/WCC 


Section A 


Room 209 


Outside the Tenure Stream Cosponsored by 

CPT and PROF 


Organizers 

G. Webster, L. Sremaniak, Organizers, 

Presiding 


9:35 1. Non-tenure track faculty and their 

presence (or absence) in the ACS. 

G. H. Webster, L. S. Sremaniak 

10:00 2. Water is different outside the 

stream: Advantages in non-tenure track 

positions. R. Zibuck, M. Barber 

10:25 3. Finding my niche as non-tenure 

track faculty. C. L. Lavoie 


11:05 4. I didn’t know what an adjunct was. 

B. A. Davis 

11:30 5. Joint appointment model for faculty/learning 

center collaborations: The development 

of the SAGE program. 

D. A. Canelas,D.M.Hall 



Section A 


Room 209 


Outside the Tenure Stream Cosponsored by 

CPT and PROF 


Organizers 

G. Webster, L. Sremaniak, Organizers, 

Presiding 


2:05 6. The brass ring and the reality of contingency 

in higher education. C. Warren 

2:30 7. Leap of faith: Accepting a nontenure 

track position which “might” turn into a 

tenure-track position. D. Warner 

2:55 8. Recent trends in the ACS salary survey 

data for non-tenure track faculty. 

J. R. Allum, A. M. Gaffney 


3:35 9. Who’s teaching whom: A report on 

the results of the faculty status survey 

conducted by the ACS Committee on 

Professional Training. S. Harris 

4:00 10. Non-tenure track faculty: Perspectives 

from the institutional side. 

L. S. Sremaniak 




Sponsored by CHED, Cosponsored by CHED- 

IAC, GDCh, IAC, NESACS, PRES, SCTF, 

SOCED, WCC, and YCC 





TECH–127

WCC/YCC TECHNICAL PROGRAM 


Anna Jane Harrison: ACS President, Her 

Science and Her Legacy Sponsored by HIST, 

Cosponsored by WCC 


the Interface 









WCC 


Section A 


Room 209 


Combating Disease Cosponsored by BIOL, 

MEDI, and PROF Financially supported by 

Applied Chemical Technology subdivision of 

I&EC 


Organizers 

C. Chow, M. Kane, Organizers, Presiding 


1:10 11. Responsive PARACEST MRI 

agents for molecular imaging. 

J. R. Morrow, S. Dorazio, J. Hammell, 

L. Buttarazzi 

1:40 12. Characterization of host cell-HIV 

protein-RNA interactions as novel antiviral 

targets. K. Musier-Forsyth,C.Jones, 

J. Sadaatmand, L. Kleiman 

2:10 13. Making the m1G37 base in tRNA: A 

tale of two enzymes. Y. Hou 


2:55 14. Discovery and characterization of 

the novel FAAH inhibitor PF-04457845: A 

clinical candidate for the treatment of inflammatory 

pain. K. Ahn 


128–TECH 

3:25 15. Targeting the cardiac muscle cell: 

Identification and evaluation of prototype 

protein kinase D (PKD) inhibitors for heart 

failure. L. Monovich, O. Ordayfio, 

K. Beattie, R. Burgis, M. Capparelli, 

J. Chapo, L. DiPietro, I. Enyedy, 

G. Gamber, C. Gaul, D. Hood, 

V. Hosagrahara, C. Jewell, K. Koch, 

W. Lee, H. Lehmann, D. Lemon, 

E. Meredith, T. McKinsey, K. Miranda, 

N. Pagratis, M. Pancost, A. Patnaik, 

D. Phan, C. Plato, M. Qian, V. Rajaraman, 

C. Rao, O. Rozhitskaya, T. Ruppen, 

J. Shi, S. Siska, N. Soldermann, 

C. Springer, M. van Eis, R. Vega, 

A. von Matt, W. Yan, L. Yang, T. Yoon, 

J. Zhang, N. Zhu, Q. Zhu 

3:55 16. Berries, wine and chocolate: Combating 

the chemistry of oxidative DNA 

damage. C. J. Burrows 













Catherine Costello Sponsored by ANYL, 










Sponsored by I&EC, Cosponsored by CTA, 

I&EC-ACTS, and WCC 




Catherine Costello Sponsored by ANYL, 


YCC 

Younger Chemists 

Committee 

S. Pazicni, Program Chair 




and YCC 


Section A 


Room 159 


Cosponsored by CHED, PROF, and SCHB 

T. Matos, Organizer 

W. S. Case, Organizer, Presiding 


2:05 1. Skunky beer in a whole new light. 

M. Forbes 

2:30 2. Is it beer? Is it wine? Investigations 

into native American fermentation traditions. 

M. Thomson 


3:10 3. Pedagogy of beer. R. Barth 

3:35 4. Chemistry of beer: Where science 

meets the liberal arts. A. Beard 








and YCC 




YCC 







Discussion Sponsored by SCHB, 




Entrepreneurs Sponsored by SCHB, 





PROF, and YCC 




SCHB, and YCC 






consent from ACS.

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