On the Antioxidant Activity of the Ortho and Meta Substituted Daidzein Derivatives in the Gas Phase and Solvent Environment
Keywords:Antioxidant, Daidzein, substituent effect, DFT, EHOMO
AbstractThe antioxidant activities of substituted Daidzein derivatives have been investigated. The electron withdrawing substituents increase the bond dissociation enthalpy, ionization potential, while electron donating groups cause a rise in the proton affinity. The Daidzein derivatives with the lowest bond dissociation enthalpy, ionization potential and proton affinity values were identified as the compounds with high antioxidant activity. The Daidzein derivatives can process their protective role via hydrogen atom transfer and sequential proton loss electron transfer mechanism in gas phase and solvent, respectively.
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