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- W2129304503 abstract "The present study employs density-functional electronic structure methods to investigate the effect of chemical modification at the C5 position of cytosine. A series of experimentally motivated chemical modifications are considered, including alkyl, halogen, aromatic, fused ring, and strong σ and π withdrawing functional groups. The effect of these modifications on cytosine geometry, electronic structure, proton affinities, gas phase basicities, cytosine–guanine base pair hydrogen bond network and corresponding nucleophilicity at guanine are examined. Ultimately, these results play a part in dissecting the effect of endogenous cytosine methylation on the reactivity of neighboring guanine toward carcinogens and DNA alkylating agents." @default.
- W2129304503 created "2016-06-24" @default.
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- W2129304503 date "2008-12-24" @default.
- W2129304503 modified "2023-10-16" @default.
- W2129304503 title "Density functional study of the influence of C5 cytosine substitution in base pairs with guanine" @default.
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- W2129304503 doi "https://doi.org/10.1007/s00214-008-0497-5" @default.
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