Citation:
GAO Li-Guo, SONG Xiao-Li, CAO Wei, LÜ Ling-Ling. Luteolin and Luteolin-Cr(Ⅲ) Complexes: Antioxidation and Reaction Mechanism with Hydrogen Peroxide Radical[J]. Chinese Journal of Inorganic Chemistry,
;2015, (11): 2229-2235.
doi:
10.11862/CJIC.2015.275
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Density functional theory(DFT) calculations have been performed to explore the molecular structure and O-H bond dissociation enthalpy(BDE) of luteolin and luteolin-Cr(Ⅲ) complex. Possible antioxidation mechanism between hydrogen peroxide radical·O2H and luteolin has been discussed, and the hydrogen atom transferring mechanism has been analyzed using the natural bond orbital (NBO) theory. Besides the theoretical studies, the experiment was performed to revise the theoretical peroration. According to the experiment, the complex has a higher ·O2H radical scavenging activity than that of luteolin which agrees with that by theoretical studies.
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