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• W1963936103 abstract "The role of local geometric and stereo-electronic effects in tuning the preference for different cross-linked adducts between thymine and purinic bases has been analyzed by a computational approach rooted in density functional theory. Our study points out that G--T and T--G tandem lesions are produced according to the same mechanism as A--T and T--A intrastrand adducts, and in both cases purine--T adducts are preferred rather than the opposite sequences. Moreover, use of conceptual DFT tools allows the rationalization of the preferential occurrence of G--T and T--G tandem lesions in place of their A--T and T--A counterparts." @default.
• W1963936103 created "2016-06-24" @default.
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• W1963936103 date "2008-01-01" @default.
• W1963936103 modified "2023-10-18" @default.
• W1963936103 title "Formation of cross-linked adducts between guanine and thymine mediated by hydroxyl radical and one-electron oxidation: a theoretical study" @default.
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• W1963936103 doi "https://doi.org/10.1039/b805589k" @default.
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