Excited State Dynamics in DNA and RNA : Experimental and Computational Approaches on Triplet State

著者名：Chen, Jinquan (EDT)

Wiley-VCH（2026/02/10発売）

• 言語：ENG
• ISBN：9783527354672
• eISBN：9783527850358

Description

Presents comprehensive insights into triplet excited state dynamics of DNA and RNA across experiment and theory

Understanding the excited state dynamics of DNA and RNA is fundamental to addressing both the detrimental and beneficial consequences of UV light on biological systems. While the triplet excited state is a precursor to damaging pathways such as photodamage, mutation, and carcinogenesis, it also offers opportunities for developing targeted therapies through DNA-targeted photosensitizing drugs. Despite its dual role, no single resource has systematically synthesized the experimental and theoretical progress in this field.

Excited State Dynamics in DNA and RNA: Experimental and Computational Studies on the Triplet State provides the first comprehensive overview of this rapidly growing interdisciplinary area, bridging photochemistry, photobiology, and photomedicine. Beginning with a historical overview of the field, the volume progresses to cover triplet dynamics in canonical and noncanonical nucleobases, triplet-mediated photochemistry, and drug-sensitized processes in DNA. Later chapters examine cutting-edge computational photobiology and quantum mechanical simulations, highlighting how molecular structure and environment influence excited state behaviors.

Offering a holistic perspective on mechanisms underpinning UV-induced damage and therapeutic opportunities, Excited State Dynamics in DNA and RNA:

• Integrates photochemistry, photobiology, and photomedicine into a unified resource
• Presents experimental findings alongside theoretical models
• Highlights experimental advances in spectroscopy and ultrafast dynamics
• Includes computational studies using ab initio and surface-hopping dynamics simulations
• Addresses both canonical and epigenetically modified nucleobases.
• Explores implications for drug-sensitized DNA triplet states and photoactivated therapies.
• Synthesizes current research trends into a pedagogical framework accessible to non-specialists

Excited State Dynamics in DNA and RNA: Experimental and Computational Studies on the Triplet State is an essential resource for graduate-level and advanced undergraduate courses in molecular biophysics, photochemistry, and chemical biology. It is also a key reference for researchers and professionals working in molecular biology, biophysics, medicinal chemistry, and photomedicine.

Table of Contents

Preface ix

List of Abbreviations xi

1 Introduce of Triplet Excited State in DNA and RNA 1
Yanyan Jia and Jinquan Chen

1.1 Introduction of the Significance of Triplet Excited State in Nucleic Acids 1

1.2 Triplet Excited State Studies in the 1960–1970s with Low Temperature Spectroscopy 3

1.3 Breakthroughs of Time-Resolved Spectroscopy Techniques and Progress of Triplet Excited State Study of DNA/RNA in 1980–2000 9

1.4 Current Research Frontiers (2000s–Present) 10

1.5 Book Structure Overview 14

Acknowledgments 15

References 15

2 Triplet Excited State in Canonical Nucleobases and Their Derivatives 23
Jing Li, Yanyan Jia, and Jinquan Chen

2.1 Study on the Triplet Excited States Dynamics of Canonical Nucleobases by Laser Flash Photolysis and Femtosecond Transient Absorption Spectroscopy 23

2.2 Study on Triplet Excited State Dynamics of Thio- and Selenium-Substituted Nucleobases 34

2.3 Study on Triplet Excited State Dynamics of Nitrogen-Substituted Nucleobases 51

References 59

3 Decoding Triplet State Dynamics in Epigenetically Modified DNA and RNA: Photophysical Mechanisms from Nucleobase Monomers to Duplex 65
Lina Wang and Xueli Wang

3.1 Introduction 65

3.2 Formation of Triplet State in Epigenetically Modified Nucleobase Monomer 65

3.3 Uracil C5-Modified Nucleobases 72

3.4 Adenine N6-Modified Nucleobases 73

3.5 Guanosine N7-Modified Nucleobases 76

3.6 Formation of Triplet State in Epigenetically Modified Dinucleotides and Single-Stranded Oligomers 77

3.7 Formation of Triplet State in Epigenetically Modified DNA Duplex 80

3.8 Conclusion 81

References 83

4 Triplet-Mediated Photochemistry of Nucleic Acid Bases 89
di Song, Shuyi Yan, and Hongmei Su

4.1 Introduction 89

4.2 Photoaddition Reactions 91

4.3 Photo-oxidation Reactions 101

4.4 Photo-Crosslinking Reactions 110

4.5 Conclusions 114

References 114

5 Drug-Sensitized Triplet States Generation in DNA 123
Carlos Montero-Galán, Gemma M. Rodríguez-Muñiz, and Virginie Lhiaubet-Vallet

5.1 Introduction 123

5.2 The Triplet-Triplet Energy Transfer Process 126

5.3 The Triplet Energy of Nucleobases 127

5.4 Photoproducts Arising from the Nucleobase Triplet Excited State 129

5.5 Methodologies: Spectroscopic vs Analytical Techniques for Detection of Drug Photosensitization of 3 N* 137

5.6 Photosensitization of Nucleobase Triplet by Drugs (or Cosmetics) 140

5.7 Conclusion 145

References 146

6 Triplet Decay in Canonical and Noncanonical DNA/RNA Nucleobases 155
Siman Chen, Yuhsuan Lee, and Shuming Bai

6.1 Introduction 155

6.2 Low Triplet Yields in Natural DNA/RNA Nucleobases 156

6.3 Triplet Decay in Thionucleobases 157

6.4 Theoretical and Computational Studies of Triplet Decay of Thionucleobases 159

6.5 Mechanisms of Chemical Modulation of Triplet Decay 162

6.6 Remaining Challenges and Future Directions 165

References 167

7 Triplet State Dynamics in DNA/RNA Nucleobases and DNA by Ab Initio Static and Surface-Hopping Dynamics Simulations 173
Marta Ibanez-deLuis and Inés Corral

7.1 Introduction 173

7.2 Adenine 176

7.3 Guanine 179

7.4 Uracil 181

7.5 Thymine 185

7.6 Cytosine 188

7.7 Nonnatural Nucleobases 191

7.8 Pyrimidine–Pyrimidine Dimer Formation Processes 198

7.9 Conclusions 202

References 203

8 The Photophysics and Photochemistry of Epigenetics and “Natural” Noncanonical Bases: Insights from Quantum Mechanical Calculations 211
Lara Martínez-Fernández and Roberto Improta

8.1 Introduction 211

8.2 Epigenetic Bases 213

8.3 Methylated Purines 218

8.4 Concluding Remarks 224

Acknowledgments 225

References 225

Index 233