A computational chemistry project studying the antioxidant properties of anthocyanidins has been carried out. Anthocyanidins are found in many fruits, berries, and vegetables. The antioxidant properties have been documented in the literature. Health benefits include free radical scavengers to slow possible carcinogenesis and age-related macular degenerative disease. The substituent effects and the equilibrium structural effects have been studied. The radical quenching strength was determined for two of the four equilibrium structural types of anthocyanidins, the flavylium cation, and the quinonoidal anhydrobase form. The preliminary results of computation indicate that the quinonoidal form has a higher potential to stabilize a free radical species.

Study of the substituent effects on the anti-oxidant potential of anthocyanidins: A computational investigation

249th National Meeting (2015)

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