Reaction of Electrons with DNA: Radiation Damage to Radiosensitization
Abstract
:1. Introduction
2. Various States of Radiation-Produced Electrons
2.1. Introduction
2.2. Structure of the Solvated Electron (e−aq)
2.3. Cavity Model of e−aq
2.4. Non-Cavity Model
3. Reaction of e−aq with DNA Bases
3.1. Simulation Studies of ab Initio Molecular Dynamics (MD)
3.2. Base Reduction Potentials
4. Electron Reactions in Ion-Beam Irradiated DNA
4.1. Introduction
4.2. Low Energy Electron-Mediated Radicals in Ion-Beam Irradiated DNA
4.3. Mechanism of Formation of ROPO2•− and C3′•dephos via LEE-Mediated Dissociative Electron Attachment
4.4. The Relevance of the Solvated Electron (e−aq)
5. C5-Modified Pyrimidine Nucleosides as Radiosensitizers (Radiation Damage Enhancement Agents)
5.1. C5-Modified Pyrimidines as Radiosensitizers, a Short Summary
5.2. Formation of the Oxidizing Aminyl Radical under a Reductive Environment
5.3. Evidence of Radiosensitization by Azidonucleosides
6. Conclusions
Funding
Acknowledgments
Conflicts of Interest
References
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Properties | Experiment | LGS (Non-Cavity) | TB (Cavity) | 4-H2O (Cavity) s |
---|---|---|---|---|
VDE (eV) | 3.3–3.6 d | 5.19 ± 0.07 r | 2.69 ± 0.01 r | 3.45 |
Rg (Å) | 2.48 e; 2.35 f | 2.46 ± 0.04 r | 2.388 ± 0.003 r | 2.25–2.5 |
λ (eV) a | 1.728 g,h | 1.71 ± 0.06 r | 1.940 ± 0.007 r | 1.72 t |
dEMAX/dT (eV/K) b | −2.2 × 10−3 i | −5.2 × 10−3 r | −(1.9 ± 0.6) ×10−4 r | |
V (cm3/mol) c | +26 j +26 ± 6 u | −116 ± 27 r | +31 ± 12 r | |
Resonance Raman Shift (cm−1) | 200 k | ~200 | ||
EPR g-factor shift (ppm) | −1900 l −1700 m | −1000 to −1350 | ||
HFCC (Gauss) | Aiso = −0.92 n Bzz = 7.0 | Aiso = −0.6 Bzz = 7.0 | ||
ΔhydG* (kcal/mol) | −36.3 o | −37.8 to −38.9 | ||
ΔhydH* (kcal/mol) | −30.2 o | −29.9 to −31.7 | ||
ΔhydS * (cal/(mol·deg)) | 20.5 o | 26.6–24.0 | ||
Eo (V) | −2.95 p −2.87 q | −2.86 |
Eo Versus SHE (V) | |||||
---|---|---|---|---|---|
Theory | |||||
G4 | B3LYP b | Exp. a | |||
PCM ε = 78 | PCM ε = 37 | PCM ε = 78 | |||
Base | No water i | Waters (n) d | “DMF” f | No water i | DMF |
G | −2.84 (−3.31) c | −2.62 (3); −2.66 (2) | −2.86 (ca.−3.0) g | −2.89 | < −2.76 |
A | −2.78 (−2.86) c | −2.57 (3) e | −2.81 (−2.71) g | −2.78 | −2.52 |
C | −2.44 (−2.41) c | −2.31 (2) | −2.48 (−2.56) g | −2.49 | −2.35 |
T | −2.42 (−2.31) c | −2.34 (2) | −2.45 (−2.32) g | −2.37 | −2.18 |
U | −2.33 | −2.05 (2) | −2.36 | −2.30 | −2.07 |
MUE h | 0.24(0.20) V | 0.07 V | 0.22 (0.20V) | 0.16 V |
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Kumar, A.; Becker, D.; Adhikary, A.; Sevilla, M.D. Reaction of Electrons with DNA: Radiation Damage to Radiosensitization. Int. J. Mol. Sci. 2019, 20, 3998. https://doi.org/10.3390/ijms20163998
Kumar A, Becker D, Adhikary A, Sevilla MD. Reaction of Electrons with DNA: Radiation Damage to Radiosensitization. International Journal of Molecular Sciences. 2019; 20(16):3998. https://doi.org/10.3390/ijms20163998
Chicago/Turabian StyleKumar, Anil, David Becker, Amitava Adhikary, and Michael D. Sevilla. 2019. "Reaction of Electrons with DNA: Radiation Damage to Radiosensitization" International Journal of Molecular Sciences 20, no. 16: 3998. https://doi.org/10.3390/ijms20163998