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《Journal of Qufu Normal University(Natural Science)》 2010-03
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Theoretical Study on Antioxidant Mechanism of Eugenol and its Analogues

GAO Hong-tao①②,LIU Jian-yong①,LIU Guang-jun②(①College of Chemistry and Molecular Engineering,Qingdao University of Science & Technology,266042,Qingdao;②Department of Chemistry and Chemical engineering,Jining University,273155,Qufu,Shandong,PRC)  
Eugenol and its analogues were isolated from Lysiachia barystachys,whth had gained the wide concern because of their various antioxidant activities.The O-H bond dissociation enthalpies(BDEs) were calculated by a kind of combined quantum chemisty method(AM1/DFT),it seem to be the best indicator of the anti-radical property of these compounds,by which their antioxidative activities of these compounds were evaluated and the strcture antioxidative activity relationship of some of these compounds was also discussed.It was found that the anti-radical property of 4-(3-methoxypropenyl)-2-methoxyphenol and isoeugenol were just a little below the gallic acid in non-polar solvents,which showed its potent antioxidative activities.
【Fund】: 山东省自然科学基金(Y2007B15);; 山东省教育厅科技发展计划(J08LC55)
【CateGory Index】: R285
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