Special Symposium - 4th EuCheMS Chemistry Congress

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GENERAL
INFORMATION
PROGRAM
INFORMATION
SPECIAL
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VENDOR
SEMINARS
PROGRAM
AT A GLANCE
SCIENTIFIC
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POSTER
SESSIONS
LIST
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SOCIAL
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GUIDED
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AND CCHS
LIST OF
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Tuesday August 28, 2012 – 13:00 – 14:00 – Club E
The Smart Article –
introducing new chemistry functionality
Kate Wood, John Wiley & Sons Lt
An introduction to new enhanced chemistry functionality that Wiley will be launching on journals,
reference works and databases. The seminar will feature a demonstration of new smart article features
on Wiley chemistry journals and their future roll out over other major Wiley reference and data resources.
Wednesday August 29, 2012 – 13:00 – 14:00 – Club A
Bayer HealthCare:
Overview and Two Recent Success Stories from HTS
Olaf Panknin
This seminar gives an overview of Bayer Healthcare with a focus on the subdivision Pharmaceuticals.
It covers research and development activities including research areas, high throughput screening, lead
generation and optimization and a recent case study.
Wednesday August 29, 2012 – 13:00 – 14:00 – Club E
Strong Partners for Unambiguous Structure
Determination – NMR and SC-XRD
Dr. Sandra Groscurth (Bruker BioSpin AG, Feallenden, CH) & Alexander Gerisch (Bruker AXS
GmbH, Karlsruhe, GER)
Nuclear Magnetic Resonance (NMR) and Single Crystal X-ray Diffraction (SC-XRD) are both known as
extremely powerful analytical methods to verify, elucidate and determine the structure of molecules and
are therefore essential tools for successful chemical and biological research. With a focus on our latest
hardware and software development experts will discuss examples from organic chemistry and therefore
demonstrate the strong diagnostic power of each of the methods.
Dr. Sandra Groscurth (Bruker BioSpin AG, Faellanden) will pay particular attention to our new software
packages CMC-assist and CMC-se. Both packages help chemists, biologists, and pharmaceutical
chemists to become more effi cient in their daily work: Progress in NMR hardware and software has made
data acquisition more convenient than ever before. However, subsequent experimental data analysis can
be time consuming and is often the limiting factor in the structure verifi cation and elucidation process.
CMC-assist overcomes this challenge, analyzes 1D NMR spectra fully automatically, and verifi es whether
the expected structure matches the experimental data. For newly synthesized compounds and natural
products structure elucidation can be even more challenging than structure verifi cation. CMC-se features
the effi cient, semi-automated interpretation of 2D NMR data and greatly simplifi es the process of structure
elucidation. Perfectly complementary to high resolution NMR in solution, SC-XRD allows the unambiguous
analysis of crystalline material. Alexander Gerisch (Bruker AXS GmbH, Karlsruhe) will guide us
through the automated measurement of an organic molecule on the SMART X2S. This instrument makes
structure determination using SC-XRD more cost effi cient and simpler than ever. The automated bench
top solution provides a complete 3D model of the molecule at the touch of a button. The integration
of a SMART X25 into already existing NMR and SC-XRD laboratories will also be discussed.
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4 TH 4 EUCHEMS CONGRESS, FINAL PROGRAM
TH EUCHEMS CONGRESS, FINAL PROGRAM