Electron-Induced Repair of 2′-Deoxyribose Sugar Radicals in DNA: A Density Functional Theory (DFT) Study

Electron-Induced Repair of 2′-Deoxyribose Sugar Radicals in DNA: A Density Functional Theory (DFT) Study

In this work, we used ωB97XD density functional and 6-31++G** basis set to study the structure, electron affinity, populations via Boltzmann distribution, and one-electron reduction potentials (E°) of 2′-deoxyribose sugar radicals in aqueous phase by considering 2′-deoxyguanosine and 2′-deoxythymidi...

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Bibliographic Details
Main Authors: Michael Bell, Anil Kumar, Michael D. Sevilla
Format: Article
Language:English
Published: MDPI AG 2021-02-01
Series:International Journal of Molecular Sciences
Subjects:
sugar radical
electron affinity
redox potential
5′,8-cyclo-guanine
Boltzmann population
Online Access:https://www.mdpi.com/1422-0067/22/4/1736

Internet

https://www.mdpi.com/1422-0067/22/4/1736

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