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Rongri Tan, Dongqi Wang, Lin Hu and Feng-Shou Zhang Probing the Reactivity of Hydroxyl Radicals toward Isolated Thymine Using Theoretical Calculations International Journal of Quantum Chemistry 114

Version of Record online: 10 OCT 2013 | DOI: 10.1002/qua.24567

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The exposure of living organisms to ionizing radiation and reactive oxygen species such as hydroxyl radicals results in damage to DNA. This work examines the reaction of the thymine nucleobase with these radicals, using quantum chemical calculations. A transition state in the hydroxylation of thymine is discovered, which is consistent with experimental observations.

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