摘要
To elucidate the different lipid-oxidation potentials of aminoxylantioxidants, a kind of combined density functional theory (DFT) method was employed to calculateC―H bond dissociation enthalpies (BDEs) of a model linoleic acid (LH) and O―H BDEs of hydrogenatedaminoxyls. The higher the O―H BDE is, the more potent the aminoxyl to abstract the H-atom from LHand the stronger the LH-oxidation potential. Accordingly, the prooxidant activity differences ofaminoxyls were elucidated by the different O―H BDEs of hydrogenated aminoxyls, which were furtherclarified in terms of distinct electronic effects of the substituents.
To elucidate the different lipid-oxidation potentials of aminoxylantioxidants, a kind of combined density functional theory (DFT) method was employed to calculateC―H bond dissociation enthalpies (BDEs) of a model linoleic acid (LH) and O―H BDEs of hydrogenatedaminoxyls. The higher the O―H BDE is, the more potent the aminoxyl to abstract the H-atom from LHand the stronger the LH-oxidation potential. Accordingly, the prooxidant activity differences ofaminoxyls were elucidated by the different O―H BDEs of hydrogenated aminoxyls, which were furtherclarified in terms of distinct electronic effects of the substituents.
基金
ProjectsupportedbytheNationalNaturalScienceFoundationofChina (No .3 0 10 0 0 3 5 )
