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Molecular structures of different possible radicals produced during one electron oxidation of G-C base pair in DNA. (a) G•+-C, (b) G(N1-H)•-(H+)C, (c) proton transfer from N4 of C to solvent (G(N1-H)•-(N4-H+)C), (d) displaced base pair held by two hydrogen bonds G(N1-H)•-C and (e) deprotonation from N2 of G to solvent G(N2-H)•-C. Pink, blue and green circles highlight the N1(G), N2(G) and N4(C) protons which are involved in proton transfer reactions.
