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Issue 61, 2014
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The preferred radical scavenging mechanisms of fisetin and baicalein towards oxygen-centred radicals in polar protic and polar aprotic solvents

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Abstract

Naturally occurring flavonoid molecules, i.e. 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 scavenge hydroxyl and superoxide anion radicals. The 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 the M05-2X/6-311+G(d,p) model. The calculated energy requirements indicated the preferred radical scavenging mechanisms in polar protic and aprotic solvents.

Graphical abstract: The preferred radical scavenging mechanisms of fisetin and baicalein towards oxygen-centred radicals in polar protic and polar aprotic solvents

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Article information


Submitted
24 Mar 2014
Accepted
20 Jun 2014
First published
23 Jun 2014

RSC Adv., 2014,4, 32228-32236
Article type
Paper
Author version available

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

J. M. Dimitrić Marković, D. Milenković, D. Amić, M. Mojović, I. Pašti and Z. S. Marković, RSC Adv., 2014, 4, 32228
DOI: 10.1039/C4RA02577F

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