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The preffered radical scavenging mechanisms of fisetin and baicalein towards oxygen-centred radicals in polar, protic and aprotic, solvents

Naturally occurring flavonoid molecules, fisetin (2-(3, 4-dihydroxyphenyl)-3, 7-dihydroxychromen-4-one) and baicalein (5, 6, 7-trihydroxy-2-phenyl-4H-chromen-4-one), have been investigated experimentally and theoretically for their ability to scavange hydroxyl and superoxide anion radicals. Reaction enthalpies for the reaction of fisetin and baicalein with selected radical species, related to three mechanisms of free radical scavenging activity (HAT, SET-PT and SPLET), are calculated using M05-2X/6-311+G (d, p) model. Calculated energy requirements indicated preferred radical scavenging mechanisms in polar protic and aprotic solvents.

fisetin; baicalein; hydroxyl radical; superoxide anion radical; HAT; SET-PT; SPLET

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