Structure of radicals from X-irradiated guanine derivatives: An experimental and computational study of sodium guanosine dihydrate single crystals

Article Abstract:

Several techniques, including the electron paramagnetic resonance (EPR) and the electron-nuclear double resonance (ENDOR) are employed to analyze the structure of several radicals that are resulted from the X-irradiation of various guanine derivatives. The analysis reveals that the radicals are a result of one-electron oxidation and deprotonation, which further leads to a balance between the oxidation and reduction products, well within the experimental uncertainty.

Science & research, Research, Electric properties, Crystals, Crystal structure, Radicals (Chemistry)

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Interaction of guanine, its anions, and radicals with lysine in different charge states

Article Abstract:

The density functional theory (DFT) calculations were used to study the binding of guanine and different dehydrogenated guanine radicals with lysine in different charge states. The results indicate that the complexation of the lysine radical cation with the H1-hydrogen-abstracted guanine radical leads to C[O.sub.2] liberation and proton transfer from lysine.

Density functionals, Density functional theory, Lysine, Anions

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Mechanisms of formation of 8-oxoguanine due to reactions of one and two OH. radicals and the H2O2 molecule with guanine: A quantum computational study

Article Abstract:

Mechanisms of formation of the mutagenic product 8-oxoguanine (8OG) due to reactions of guanine with two separate OH. radicals and with H2O2 are described. Reactions of two separate OH radicals and H2O2 with the C2 position of 5-methylimidazole (5MI) are investigated taking 5MI as a model to study reactions at the C8 position of guanine.

Quantum chemistry, Methyl groups, Methyl compounds

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