Examination of Electron Transfer Mechanism of Cyanidin
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Author
Markovic, Zoran
Milenkovic, Dejan
Jeremic, Svetlana
Djorovic, Jelena
Dimitric Markovic, Jasmina
Keywords
cyanidinhyrdoxyl radical
ET and SPLET mechanisms
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Show full item recordAbstract
Cyanidin, as one important plant pigment, was theoretically (at M05-2X/6-311+G(d,p) level of theory) investigated for its ability to scavenge potentially, highly damaging hydroxyl radical. Free radical scavenging of cyanidin was studied through electron transfer mechanism – ET (the second step in SPLET mechanism) in water and ethanol, as solvents. Examination was performed using density functional theory (DFT) and Marcus theory. Based on the thermochemical and kinetic data, it is clear that O‒H group of cyanidin in position 3` is the most suitable for reaction with hydroxyl radical through mentioned antioxidant mechanism.