Relationship between structure and anti-oxidation of tocopherol with molecular orbit theory | |
Liu, SL; Pan, JH; Shi, DY; Chen, KX; Wang, QM; Chen, SM; Yan, XM | |
刊名 | ACTA PHARMACOLOGICA SINICA |
1998-11 | |
卷号 | 19期号:6页码:513-518 |
关键词 | vitamin E antioxidants free radicals lipid peroxides molecular models structure-activity relationship |
ISSN号 | 0253-9756 |
文献子类 | Article |
英文摘要 | AIM: To explore the relationship between different structures of tocopherol (Toc) and some phenol compounds and their anti-oxidative activities. METHODS: Use the ab initio calculation of molecular mechanics and quantum chemistry. RESULTS: The anti-oxidation of Toc was related to the ability to release active hydrogen, ie, related to the O-H electron populations, frontier orbital energy (au), and the decreased amount of energy at the reaction ending stage. The order of hydroxyl O-H electron populations in different Too model molecules were alpha < gamma less than or equal to beta < delta, which was consistent with their anti-oxidation reported. CONCULSION: The molecular orbit (MO) theory and the quantum chemical parameters can be used to analyze the anti-oxidation of phenol compounds with different structures. |
WOS关键词 | LOW-DENSITY-LIPOPROTEIN ; VITAMIN-E ; ALPHA-TOCOPHEROL ; ANTIOXIDANT ; ACID |
WOS研究方向 | Chemistry ; Pharmacology & Pharmacy |
语种 | 英语 |
出版者 | ACTA PHARMACOLOGICA SINICA |
WOS记录号 | WOS:000076914200004 |
内容类型 | 期刊论文 |
源URL | [http://119.78.100.183/handle/2S10ELR8/274792] |
专题 | 中国科学院上海药物研究所 |
通讯作者 | Liu, SL |
作者单位 | 1.Shanghai Med Univ, Dept Biochem, Shanghai 200032, Peoples R China 2.Fudan Univ, Ctr Anal & Measurement, Shanghai 200433, Peoples R China 3.Chinese Acad Sci, Shanghai Inst Mat Med, Shanghai 200031, Peoples R China |
推荐引用方式 GB/T 7714 | Liu, SL,Pan, JH,Shi, DY,et al. Relationship between structure and anti-oxidation of tocopherol with molecular orbit theory[J]. ACTA PHARMACOLOGICA SINICA,1998,19(6):513-518. |
APA | Liu, SL.,Pan, JH.,Shi, DY.,Chen, KX.,Wang, QM.,...&Yan, XM.(1998).Relationship between structure and anti-oxidation of tocopherol with molecular orbit theory.ACTA PHARMACOLOGICA SINICA,19(6),513-518. |
MLA | Liu, SL,et al."Relationship between structure and anti-oxidation of tocopherol with molecular orbit theory".ACTA PHARMACOLOGICA SINICA 19.6(1998):513-518. |
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