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Examination of antioxidant activity of three dihydroxybenzoic acids

In the present study the M05-2X/6-311++G(d, p) model is used to evaluate scavenging potency of 2, 3-, 2, 6-, and 3, 4-dihydroxybenzoic acids (DHBAs). Reaction enthalpies related to the scavenging mechanisms of the studied species were calculated in water and benzene. Hydrogen atom transfer is a preferred reaction pathway in benzene, while sequential proton loss electron transfer is a predominant reaction pathway in polar solvent, water, for all the studied compounds.

antioxidant activity; dihydroxybenzoic acids; DFT; HAT; SPLET; SET-PT

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