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《Journal of North China University of Technology》 2001-01
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Structure-Antioxidation Relationship of Flavonoid Antioxidants

Zhao Jihong 1) Liang Yu 2) Yan dayu 2) (1)College of Basic Sci., North China Univ. of Tech., 100041, Beijing, China 2) Graduate School of Univ. of Sci. &Tech. of China, 100039, Beijing, China)  
The structure antioxidation relationship of typical flavonoid antioxidants is investigated by means of structural chemistry and the semiempirical calculation method of quantum chemistry. The results suggested that the lesser half quinone freeradical △HOF make greater antioxidation than the other phenolic hydroxyl in the molecule. The better uniformity of the spin densities distribution of half quinone freeradical is the essential cause that accounts for the better antioxidation of the flavonoid. Accordingly, the antioxidation of flavonoid containing ortho substituting hydroxyl is better than that containing meta substituting hydroxyl,such as the individualization of ortho dioxy benzene and meta dioxy benzene. The amount of phenol hydroxyl and of intramolecular H bond in the molecule is in direct relationship with the flavonid antioxidation of the molecule, which contributes to the important factor of the strong antioxidation of flavonoid. While △HOF of half quinone freeradical of the decorated quercetin discussed is not remarkable minor, and the spin densities is also not noticeable uniform, the antioxidation of the decorated quercetin is better than that of quercetin because the former contains more phenolic hydroxyl and is able to form more intramolecular H bond. It is shown from the study that the spin densities distribution of half quinone freeradical is more uniform by changing the locations of hydroxyl substitute, and the increase in the amount of phenol hydroxyl and the amount of intramolecular H-bond in flavonoid molecule by chemical decoration, are the means of improving antioxidation of flavonoid.
【CateGory Index】: O621
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