Charge Migration in DNA (eBook)

Perspectives from Physics, Chemistry, and Biology

Tapash Chakraborty (Herausgeber)

eBook Download: PDF

2007 | 2007
XVIII, 288 Seiten
Springer Berlin (Verlag)
978-3-540-72494-0 (ISBN)

Infos

Charge migration through DNA has been the focus of considerable interest in recent years. This book presents contributions from an international team of researchers active in this field. It contains a wide range of topics that includes the mathematical background of the quantum processes involved, the role of charge transfer in DNA radiation damage, a new approach to DNA sequencing, DNA photonics, and many others.

Inhalt

Preface 6
References 12
Contents 13
List of Contributors 15
1 Tight-Binding Modeling of Charge Migration in DNA Devices 19
1.1 Introduction and Motivation 19
1.2 The Electronic Structure of DNA 20
1.3 Numerical Techniques for Charge Transport in the Quantum Regime 22
1.4 Tight-Binding Model Approaches 25
1.5 Conclusions 34
References 34
2 Mechanism and Absolute Rates of Charge Transfer Through DNA 39
2.1 Introduction 39
2.2 Theoretical Description of Charge Migration in DNA 40
2.3 Single Step Tunnelling Through DNA 42
2.4 Sequence Dependence 45
2.5 Calculation of Accurate Parameters for Hole Transport Calculations 48
2.6 Tight-Binding Calculations of Hole Transfer Rates 53
2.7 Effect of Solvent Reorganization Energy on Charge Transfer Rates 56
2.8 Implications for the Charge Carrier Mobility in DNA 58
2.9 Conclusions 58
References 59
3 Variable-Range Charge Hopping in DNA 62
3.1 Introduction 62
3.2 Charge Transfer within a Stack of Base Pairs 64
3.3 Concluding Remarks 73
References 74
4 Atomistic Models of DNA Charge Transfer 79
4.1 Introduction 79
4.2 Electronic Structure Model 80
4.3 Systems and Numerical Results 84
4.4 Conclusions 89
References 90
5 Physics Aspects of Charge Migration Through DNA 92
5.1 Introduction 92
5.2 DNA Model for Charge Migration 92
5.3 Evaluation of the Electron Transfer Rate in a Chain Model 96
5.4 Charge Migration Through DNA 100
5.5 Understanding the Weak Distance Dependence 103
5.6 Electron Tunneling Through Multi-Path Barriers 105
5.7 Transverse Tunneling Current 110
5.8 Summary 130
References 131
6 Vibronic Mechanisms for Charge Transport and Migration Through DNA and Single Molecules 135
6.1 Introduction 135
6.2 The Electron-Molecular-Vibration (E-MV) Coupling 136
6.3 Ballistic and Weak Coupling Limits 137
6.4 Strong Coupling Limits 143
6.5 Hole Transfer Reactions Through DNA in Solution 148
6.6 Discussions 150
6.7 Summary 151
References 152
7 The Role of Charge and Spin Migration in DNA Radiation Damage 153
7.1 Introduction 153
7.2 Radical Stabilization at 77K and Higher Temperatures 155
7.3 Studies of Excess Electron and Hole Transfer in DNA at Low Temperatures 165
7.4 Hole Transfer and Sugar Radical Formation from Excited States 175
7.5 Conclusion 185
References 185
8 DNA-Based Thermoelectric Nanodevices: A Theoretical Perspective 190
8.1 Introduction 190
8.2 DNA Models and the Mathematical Approach 192
8.3 Thermopower of Single-Stranded Oligonucleotides 197
8.4 Thermopower of Double-stranded DNA Chains 203
8.5 Environmental Effects 211
8.6 Outlook and Perspectives 212
References 215
9 Transverse Electronic Signature of DNA for Electronic Sequencing 218
9.1 Introduction 218
9.2 Characterization of DNA on Au(111) Surface 219
9.3 Transverse Electronic Signature of DNA 221
9.4 First-Principles Calculations 226
9.5 Sequencing 228
9.6 Outlook and Perspectives 230
9.7 Appendix: Accuracy of Sequencing 231
References 232
10 DNA Photonics – Probing Light- Induced Dynamics in DNA on the Femtosecond Timescale 234
10.1 Introduction 234
10.2 Femtosecond Broadband Pump- Probe Spectroscopy 236
10.3 Mechanistic Crossover and Long- Range DNA Charge Transfer 239
10.4 Conformation Dynamics and Base Pair Motions in DNA Charge Transfer 244
10.5 Ultrafast Electronic Energy Delocalization and Dissipation in DNA 247
10.6 Competition Between Energy Delocalization and Charge Transfer 255
10.7 New Experimental Methodology and DNA Photonics Applications 257
10.8 Final Remarks 258
References 259
11 Vibrons in DNA: Their Influence on Transport 262
11.1 Introduction 262
11.2 Model and Technique 263
11.3 Results: Poly(dG)-Poly(dC) DNA 271
11.4 Conclusions 274
References 275
12 DNA-Based Assembly of Metal Nanoparticles: Structure and Functionality 276
12.1 Introduction 276
12.2 Materials Synthesis 277
12.3 Nanoparticle Assemblies and Properties 281
12.4 Conclusion 291
References 292
Index 296

Produkt-Details

• Erscheint lt. Verlag: 15.8.2007
• Reihe/Serie: NanoScience and Technology
• Reihe/Serie: NanoScience and Technology
• Zusatzinfo: XVIII, 288 p.
• Verlagsort: Berlin
• Sprache: englisch
• Themenwelt: Naturwissenschaften ► Biologie
• Themenwelt: Naturwissenschaften ► Physik / Astronomie ► Theoretische Physik
• Themenwelt: Technik
• Schlagworte: Biology • Charge migration • chemical physics • Chemistry • Condensed Matter • DNA • DNA sequencing • Dynamics • Electron transfer and transport • Hopping and superexchange • Modeling • nanotechnology • Natur • Photonics • Physics • Radiation damage • Tight-binding models • Transport
• ISBN-10: 3-540-72494-X / 354072494X
• ISBN-13: 978-3-540-72494-0 / 9783540724940