Curcumin possesses various effective medicinal properties, such as anti-cancer, anti-Alzheimer's, anti-inflammatory, and antioxidant effects, where its free radical scavenging activities play a crucial role in its therapeutic mechanisms. Although the antioxidant properties of curcumin and its derivatives have been previously studied, a systematic investigation of the thermodynamics and kinetics of the reaction with the hydroperoxide radical (HOO˙) - a standardized free radical - in different solvents is lacking. This study examined the HOO˙ radical scavenging activities of two curcumin derivatives, specifically curcumin I (Cur-I) and curcumin III (Cur-III), in water and pentyl ethanoate (PEA) solutions using Density Functional Theory (DFT) approaches.
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