Antiradical activity of delphinidin, pelargonidin and malvin towards hydroxyl and nitric oxide radicals: The energy requirements calculations as a prediction of the possible antiradical mechanisms

被引：52

作者：

Markovic, Jasmina M. Dimitric ^{[1
]}

Pejin, Boris ^{[2
]}

Milenkovic, Dejan ^{[3
]}

Amic, Dragan ^{[4
]}

Begovic, Nebojsa ^{[5
]}

Mojovic, Milos ^{[1
]}

Markovic, Zoran S. ^{[3
,6
]}

机构：

[1] Univ Belgrade, Fac Phys Chem, Studentski Trg 12-16, Belgrade 11000, Serbia

[2] Inst Multidisciplinary Res IMSI, Dept Life Sci, Kneza Viseslava 1, Belgrade 11030, Serbia

[3] Bioengn Res & Dev Ctr, Kragujevac 34000, Serbia

[4] Josip Juraj Strossmayer Univ Osijek, Fac Agr, Kralja Petra Svac 1D, Osijek 31000, Croatia

[5] Inst Gen & Phys Chem, Studentski Trg 12-16, Belgrade 11000, Serbia

[6] State Univ Novi Pazar, Dept Chem Technol Sci, Vuka Karadzi Bb, Novi Pazar 36300, Serbia

来源：

FOOD CHEMISTRY | 2017年 / 218卷

关键词：

Anthocyanidines and anthocyanins; (OH)-O-center dot and (NO)-N-center dot radicals; ESR spectra; Semi-empirical calculations; DFT; COUPLED ELECTRON-TRANSFER; THERMOCHEMICAL KINETICS; ANTIOXIDANT PROPERTIES; DENSITY FUNCTIONALS; ANTHOCYANINS; FLAVONOIDS; RISK;

D O I：

10.1016/j.foodchem.2016.09.106

中图分类号：

O69 [应用化学];

学科分类号：

081704 ;

摘要：

Naturally occurring flavonoids, delphinidin, pelargonidin and malvin, were investigated experimentally and theoretically for their ability to scavenge hydroxyl and nitric oxide radicals. Electron spin resonance (ESR) spectroscopy was used to determine antiradical activity of the selected compounds and M05-2X/6-311+G(d,p) level of theory for the calculation of reaction enthalpies related to three possible mechanisms of free radical scavenging activity, namely HAT, SET-PT and SPLET. The results obtained show that the molecules investigated reacted with hydroxyl radical via both HAT and SPLET in the solvents investigated. These results point to HAT as implausible for the reaction with nitric oxide radical in all the solvents investigated. SET-PT also proved to be thermodynamically unfavourable for all three molecules in the solvents considered. (C) 2016 Published by Elsevier Ltd.

引用

页码：440 / 446

页数：7

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