Molecular Orbital Analysis of Antioxidative Activity of Phenolics from Tessaria integrifolia and Piper elongatum

Masashi ETO; Chikako MASUOKA; Toru YAMASAKI; Kazunobu HARANO; Masateru ONO

doi:10.3136/fstr.14.415

Notes

Molecular Orbital Analysis of Antioxidative Activity of Phenolics from Tessaria integrifolia and Piper elongatum

Masashi ETO, Chikako MASUOKA, Toru YAMASAKI, Kazunobu HARANO, Masateru ONO

著者情報

キーワード: antioxidative effect, semi-empirical MO calculation, bond dissociation enthalpy, ionization potential, flavonoids, phenolics

ジャーナルフリー

2008 年 14 巻 4 号 p. 415

DOI https://doi.org/10.3136/fstr.14.415

詳細

抄録

Bond dissociation enthalpies (BDEs) for phenolic constituents from Tessaria integrifolia RUIZ. et Pavon and Piper elongatum VAHL. have been calculated using the semi-empirical molecular orbital (MO) method (PM3). A significant correlation between the BDE of the phenolics and their radical-scavenging effect was found. The BDEs evaluated by semi-empirical MOs can provide a convenient and useful clue for assessment of the antioxidative activity of phenolics.

責任著者(Corresponding author)

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