Theoretical Elucidation on the Antioxidant Mechanism of Curcumin: A DFT Study
Organic Letters2002Vol. 4(17), pp. 2909–2911
Citations Over TimeTop 10% of 2002 papers
Abstract
[reaction: see text] Bond dissociation enthalpies (BDEs) for the curcumin-related compounds have been calculated using density functional theory (DFT) methods. It was found that the antioxidant mechanism of curcumin was a H-atom abstraction from the phenolic group, not from the central CH2 group in the heptadienone link. Curcumin, methylcurcumin, and half-curcumin had similar O-H BDEs, indicating that the two phenolic groups in curcumin were independent of each other.
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