Cargando…
Theory of the interaction of radiation with biomolecules /
Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new result...
| Clasificación: | Libro Electrónico |
|---|---|
| Otros Autores: | , |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Amsterdam ; Boston :
Elsevier/Academic Press,
2007.
|
| Edición: | 1st ed. |
| Colección: | Advances in quantum chemistry ;
v. 52. |
| Temas: | |
| Acceso en línea: | Texto completo Texto completo |
Tabla de Contenidos:
- Cover; Copyright page; Contents; Contributors; Preface; Chapter 1. Theoretical Studies of the Interaction of Radiation with Biomolecules; References; Chapter 2. Free-Radical-Induced DNA Damage as Approached by Quantum-Mechanical and Monte Carlo Calculations: An Overview from the Standpoint of an Experimentalist; 1. Introduction; 2. The various types of DNA damage; 3. DNA damage by ionizing radiation-general aspects and modeling; 4. Pattern of OH attack on DNA; 5. Ionization potentials and electron affinities of the nucleobases (reduction potentials); 6. Hole and electron transfer through DNA
- 7. Tautomerization and isomerization reactions of DNA radicals8. Regioselectivity of OH attack on the nucleobases; 9. Selectivity of free-radical attack at the sugar moiety; 10. Reactions of alkyl radicals; 11. Reduction potentials of DNA radicals; 12. Assignment of transients by quantum-chemical calculations of their electronic transitions; 13. DNA stability and repair; References; Chapter 3. Energy Deposition Models at the Molecular Level in Biological Systems; 1. Introduction; 2. Cross sectional data; 3. Monte Carlo simulation; 4. Conclusions; References
- Chapter 4. DFT Treatment of Radiation Produced Radicals in DNA Model Systems1. Introduction; 2. Electron affinities of DNA bases (valence and diffuse states) [11]; 3. Effect of base pairing and proton transfer [12,13]; 4. Electron induced dehalogenation reactions of halouracils and effect of base pairing 14,15; 5. Hydrogen atom loss in pyrimidine DNA bases [16,17]; 6. Electron induced DNA strand breaks [18]; 7. Energetics of base release in nucleoside anion radicals [90]; References; Chapter 5. Computational Studies of Radicals Relevant to Nucleic Acid Damage; 1. Introduction
- 2. Computational methods3. Nucleobase cation radicals; 4. Nucleobase radicals; 5. Deoxyribose and ribose radicals; 6. Conclusions and outlook; Acknowledgements; References; Chapter 6. Radical Cations of the Nucleic Bases and Radiation Damage to DNA: Ab Initio Study; 1. Introduction; 2. Computational methods; 3. Isolated DNA bases; 4. Clusters of DNA bases; 5. Conclusion; Acknowledgements; References; Chapter 7. Charge Exchange and Fragmentation in Slow Collisions of He2+ with Water Molecules; 1. Introduction; 2. Experimental methods; 3. Theoretical approach
- 4. Experimental and theoretical results5. Conclusions; Acknowledgements; References; Chapter 8. How Very Low-Energy (0.1-2 eV) Electrons Cause DNA Strand Breaks; 1. Introduction; 2. Where do very low-energy electrons attach to DNA and what bonds are broken?; 3. Methods used to characterize the energies of the metastable anions; 4. Summary; Acknowledgements; References; Chapter 9. Electron-Driven Molecular Processes Induced in Biological Systems by Electromagnetic and Other Ionizing Sources; 1. Introduction; 2. Electron-impact experiments in biological environments: Current state of the art