Chakraborty Charge Migration in DNA

Perspectives from Physics, Chemistry, and Biology
2007
ISBN: 978-3-540-72494-0
Verlag: Springer Berlin Heidelberg
Format: PDF
Kopierschutz: 1 - PDF Watermark

E-Book, Englisch, 288 Seiten

Reihe: NanoScience and Technology

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.

Autoren/Hrsg.

Chakraborty, Tapash

Inhaltsverzeichnis

1;Preface;6
1.1;References;12
2;Contents;13
3;List of Contributors;15
4;1 Tight-Binding Modeling of Charge Migration in DNA Devices;19
4.1;1.1 Introduction and Motivation;19
4.2;1.2 The Electronic Structure of DNA;20
4.3;1.3 Numerical Techniques for Charge Transport in the Quantum Regime;22
4.4;1.4 Tight-Binding Model Approaches;25
4.5;1.5 Conclusions;34
4.6;References;34
5;2 Mechanism and Absolute Rates of Charge Transfer Through DNA;39
5.1;2.1 Introduction;39
5.2;2.2 Theoretical Description of Charge Migration in DNA;40
5.3;2.3 Single Step Tunnelling Through DNA;42
5.4;2.4 Sequence Dependence;45
5.5;2.5 Calculation of Accurate Parameters for Hole Transport Calculations;48
5.6;2.6 Tight-Binding Calculations of Hole Transfer Rates;53
5.7;2.7 Effect of Solvent Reorganization Energy on Charge Transfer Rates;56
5.8;2.8 Implications for the Charge Carrier Mobility in DNA;58
5.9;2.9 Conclusions;58
5.10;References;59
6;3 Variable-Range Charge Hopping in DNA;62
6.1;3.1 Introduction;62
6.2;3.2 Charge Transfer within a Stack of Base Pairs;64
6.3;3.3 Concluding Remarks;73
6.4;References;74
7;4 Atomistic Models of DNA Charge Transfer;79
7.1;4.1 Introduction;79
7.2;4.2 Electronic Structure Model;80
7.3;4.3 Systems and Numerical Results;84
7.4;4.4 Conclusions;89
7.5;References;90
8;5 Physics Aspects of Charge Migration Through DNA;92
8.1;5.1 Introduction;92
8.2;5.2 DNA Model for Charge Migration;92
8.3;5.3 Evaluation of the Electron Transfer Rate in a Chain Model;96
8.4;5.4 Charge Migration Through DNA;100
8.5;5.5 Understanding the Weak Distance Dependence;103
8.6;5.6 Electron Tunneling Through Multi-Path Barriers;105
8.7;5.7 Transverse Tunneling Current;110
8.8;5.8 Summary;130
8.9;References;131
9;6 Vibronic Mechanisms for Charge Transport and Migration Through DNA and Single Molecules;135
9.1;6.1 Introduction;135
9.2;6.2 The Electron-Molecular-Vibration (E-MV) Coupling;136
9.3;6.3 Ballistic and Weak Coupling Limits;137
9.4;6.4 Strong Coupling Limits;143
9.5;6.5 Hole Transfer Reactions Through DNA in Solution;148
9.6;6.6 Discussions;150
9.7;6.7 Summary;151
9.8;References;152
10;7 The Role of Charge and Spin Migration in DNA Radiation Damage;153
10.1;7.1 Introduction;153
10.2;7.2 Radical Stabilization at 77K and Higher Temperatures;155
10.3;7.3 Studies of Excess Electron and Hole Transfer in DNA at Low Temperatures;165
10.4;7.4 Hole Transfer and Sugar Radical Formation from Excited States;175
10.5;7.5 Conclusion;185
10.6;References;185
11;8 DNA-Based Thermoelectric Nanodevices: A Theoretical Perspective;190
11.1;8.1 Introduction;190
11.2;8.2 DNA Models and the Mathematical Approach;192
11.3;8.3 Thermopower of Single-Stranded Oligonucleotides;197
11.4;8.4 Thermopower of Double-stranded DNA Chains;203
11.5;8.5 Environmental Effects;211
11.6;8.6 Outlook and Perspectives;212
11.7;References;215
12;9 Transverse Electronic Signature of DNA for Electronic Sequencing;218
12.1;9.1 Introduction;218
12.2;9.2 Characterization of DNA on Au(111) Surface;219
12.3;9.3 Transverse Electronic Signature of DNA;221
12.4;9.4 First-Principles Calculations;226
12.5;9.5 Sequencing;228
12.6;9.6 Outlook and Perspectives;230
12.7;9.7 Appendix: Accuracy of Sequencing;231
12.8;References;232
13;10 DNA Photonics – Probing Light- Induced Dynamics in DNA on the Femtosecond Timescale;234
13.1;10.1 Introduction;234
13.2;10.2 Femtosecond Broadband Pump- Probe Spectroscopy;236
13.3;10.3 Mechanistic Crossover and Long- Range DNA Charge Transfer;239
13.4;10.4 Conformation Dynamics and Base Pair Motions in DNA Charge Transfer;244
13.5;10.5 Ultrafast Electronic Energy Delocalization and Dissipation in DNA;247
13.6;10.6 Competition Between Energy Delocalization and Charge Transfer;255
13.7;10.7 New Experimental Methodology and DNA Photonics Applications;257
13.8;10.8 Final Remarks;258
13.9;References;259
14;11 Vibrons in DNA: Their Influence on Transport;262
14.1;11.1 Introduction;262
14.2;11.2 Model and Technique;263
14.3;11.3 Results: Poly(dG)-Poly(dC) DNA;271
14.4;11.4 Conclusions;274
14.5;References;275
15;12 DNA-Based Assembly of Metal Nanoparticles: Structure and Functionality;276
15.1;12.1 Introduction;276
15.2;12.2 Materials Synthesis;277
15.3;12.3 Nanoparticle Assemblies and Properties;281
15.4;12.4 Conclusion;291
15.5;References;292
16;Index;296