Format

Send to

Choose Destination
See comment in PubMed Commons below
Zhongguo Yao Li Xue Bao. 1998 Nov;19(6):513-8.

Relationship between structure and anti-oxidation of tocopherol with molecular orbit theory.

Author information

1
Department of Biochemistry, Shanghai Medical University, China. slliu@shmu.edu.cn

Abstract

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, i.e., 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 Toc model molecules were alpha < gamma < or = beta < delta, which was consistent with their anti-oxidation reported.

CONCLUSION:

The molecular orbit (MO) theory and the quantum chemical parameters can be used to analyze the anti-oxidation of phenol compounds with different structures.

PMID:
10437135
[Indexed for MEDLINE]
Free full text
PubMed Commons home

PubMed Commons

0 comments
How to join PubMed Commons

    Supplemental Content

    Full text links

    Icon for Acta Pharmacologica Sinica
    Loading ...
    Support Center