Antioxidant properties of anthocyanin revealed through the hydrogen atom transfer: combined effects of temperature and pH *

The combined effects of temperature and pH on the radical scavenging capacity of anthocyanin were investigated using theoretical methods. The data reveals that the reaction of anthocyanins with OH radical over the whole pH range have lower Gibbs free energy barriers, which are in agreement with the experimental observation. There is positive correlation between the pseudo-first-order rate constant and temperature. The radical scavenging capacity of the anthocyanin, increases with increasing temperature with different pH ranging from 1 to 8. Overall, this work can explain the previous experiment results successfully and provide some implications for understanding the antioxidant of anthocyanin.