A Toy Model of Chemical Reaction Networks - TBI - UniversitÃ¤t Wien

More documents

Recommendations

Info

viii CONTENTS B GRW 61 C Organic reactions 63 References 64
Chapter 1 Introduction Networks of chemical reactions (CRNs) occur in many different areas (fig. 1.1). Looking at ourselves, we notice that our metabolism is governed by the interplay of pathways, i.e. chains of chemical reactions responsible for constructing and clearing the different parts of the organism. This interplay builds metabolic networks [35]. Looking back in time, we see that CRNs extend to hypercycles, reaction networks of self-reproducing molecules, which are considered to be the predecessors of life. Looking further back, the conditions making life possible are again CRNs, that have evolved since the formation of our planet. For example, the steady-state of the oxygen concentration in the atmosphere is now regulated by a set of reactions taking place in the sea, the air and in the earth’s crust. Man-made CRNs are as important as natural ones, especially from an economic point of view. Most importantly, a lot of effort has been put into the study of combustion [105], especially in the petroleum and the automobile industry. CRNs also have to be taken into account by chemical engineers for the construction of industrial-size chemical reactors. On the laboratory scale, the new fields of combinatorial chemistry and multi-component reactions use CRNs more complicated than a multi-step process for organic synthesis. At the interface of industry and nature, CRNs occur in chemical decay processes and are studied for their effects on the environment. The diversity of CRNs spawns vast areas of research in the corresponding fields. Metabolic networks are studied in the life sciences, on the molecular and the pathway level (molecular and structural biology), and on the level of the network and its dynamics (systems biology). Their origin and evolution is the subject of astrobiology, and they are put to industrial use by biotechnology. By analyzing metabolic networks it is possible to comprehensively understand the behavior of biological CRNs, i.e. how they maintain physiological 1
Page 1 and 2: A Toy Model of Chemical Reaction Ne
Page 3: i Dank an alle, die zum Gelingen di
Page 7: v Zusammenfassung Chemische Reaktio
Page 12 and 13: 2 CHAPTER 1. INTRODUCTION ▽ △
Page 14 and 15: 4 CHAPTER 1. INTRODUCTION ¡ ¡ ¡
Page 16 and 17: 6 CHAPTER 1. INTRODUCTION and symme
Page 18 and 19: 8 CHAPTER 2. ARTIFICIAL CHEMISTRIES
Page 20 and 21: 10 CHAPTER 2. ARTIFICIAL CHEMISTRIE
Page 22: 12 CHAPTER 2. ARTIFICIAL CHEMISTRIE
Page 25 and 26: 3.1. EXTENDED HÜCKEL THEORY 15 is
Page 27 and 28: 3.2. FURTHER APPROXIMATIONS 17 K. F
Page 29 and 30: 3.2. FURTHER APPROXIMATIONS 19 Figu
Page 31 and 32: 3.2. FURTHER APPROXIMATIONS 21 are
Page 33 and 34: 3.3. CHEMICAL STRUCTURE REPRESENTAT
Page 35 and 36: 3.3. CHEMICAL STRUCTURE REPRESENTAT
Page 37 and 38: 3.4. WAVE FUNCTION ANALYSIS 27 Derw
Page 39 and 40: Table 3.6: Overlap matrix for prope
Page 41 and 42: 3.5. PERFORMANCE 31 3.5 Performance
Page 43 and 44: 3.6. FRONTIER MOLECULAR ORBITAL THE
Page 45 and 46: Chapter 4 Chemical reactions A mole
Page 47 and 48: 4.1. GRAPH REWRITING 37 Graphical t
Page 49 and 50: 4.1. GRAPH REWRITING 39 C C C C C C
Page 51 and 52: 4.2. GRAPH REWRITE ENGINE 41 O O O
Page 53 and 54: Chapter 5 Reaction networks 5.1 Net
Page 55 and 56: 5.3. NETWORK PROPERTIES 45 O 3 NO 3
Page 57 and 58: 5.3. NETWORK PROPERTIES 47 (see ch.
Page 59 and 60: Chapter 6 Computational results Whe
Page 61 and 62:
O O O O O O O O O O O O O O O O O O
Page 63 and 64:
6.3. GRAPH-THEORETIC PROPERTIES 53
Page 65 and 66:
Chapter 7 Conclusion and Outlook Th
Page 67 and 68:
Using the rules of mass action kine
Page 69 and 70:
Appendix A Parameters The energy ca
Page 71 and 72:
Appendix B GRW GRW is implemented i
Page 73 and 74:
Appendix C Organic reactions Fromht
Page 75 and 76:
Bibliography [1] R. Albert and A.-L
Page 77 and 78:
BIBLIOGRAPHY 67 [25] O. Diels and K
Page 79 and 80:
BIBLIOGRAPHY 69 [50] J. Gasteiger a
Page 81 and 82:
BIBLIOGRAPHY 71 [76] W. Langenbeck.
Page 83 and 84:
BIBLIOGRAPHY 73 [102] S. Schuster,
Page 85:
BIBLIOGRAPHY 75 [126] R. Woodward a
Page 89 and 90:
The Wooing of Archibald Modern tren
show all

A Toy Model of Chemical Reaction Networks - TBI - UniversitÃ¤t Wien

Create successful ePaper yourself

Delete template?

Save as template?