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Rate constants for reactions of hydroxyl radicals with nucleic acid bases and the related compounds were determined by the p-nitrosodimethylaniline method. For addition reaction of hydroxyl radical to the compounds, reactivity indices, namely free valence, localization energy, frontier-electron-density and superdelocalizability, were calculated by Hückel MO method. Among the examined reactivity indices, superdelocalizability was found to have a linear correlation with logarithms of relative rate constants of pyrimidine bases, while the correlation was not observed for purine bases.
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Masuda et al. (1975) studied this question.
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