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2013, № 10 (159)



Kazaeva A.N., Kobzev G.I., Sviridovа T.G., Gryazeva I.V., Sviridov A.P. STUDY OF THE MECHANISM OF PRO– AND ANTIOXIDANT ACTIVITY OF 1,3-DIHYDROXY-5-METHYLBENZENEMethod MCSCF (multiconfiguration self-consistent field method) simulated the interaction of 1,3-dihydroxy-5-methylbenzene (C1-AHB) and its phenoxyl radical (C1-AHB) with some reactive forms of oxygen. According to the results of quantum chemical calculations of activation barriers of direct and inverse reactions shown antioxidant activity of C1-AHB towards hydroxyl (OH), hydroperoxide (HO2) radicals and singlet oxygen 1O2 and the predicted antioxidant phenoxyl radical C1-AHB against hydroperoxide radical HO2. At the same time the opportunity of pro-oxidant effect of C1-AHB against singlet oxygen 1O21Δg) to generate a response in the last 1C1-AHB + 1HO2 = 1C1-AHB + 1O2. The calculated data are experimentally confirmed in a model system "Peroxidase — H2O2 — Luminol".Key words: 1,3-dihydroxy-5-methylbenzene, the activation barrier of the reaction, reactive oxygen species, antioxidant activity, prooksidantant activity.

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About this article

Authors: Sviridova T.G., Kazaeva A.N., Kobzev G.I., Gryazeva I.V., Sviridov A.P.

Year: 2013


Editor-in-chief
Sergey Aleksandrovich
MIROSHNIKOV

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