The role of guaiacyl moiety in free radical scavenging by 3,5-dihydroxy-4-methoxybenzyl alcohol: thermodynamics of 3H+/3e- mechanisms

被引：7

作者：

Amic, Ana ^{[1
]}

Markovic, Zoran ^{[2
]}

Dimitric Markovic, Jasmina M. ^{[3
]}

Milenkovic, Dejan ^{[4
]}

Lucic, Bono ^{[5
]}

机构：

[1] Josip Juraj Strossmayer Univ Osijek, Dept Chem, Cara Hadrijana 8a, Osijek 31000, Croatia

[2] State Univ Novi Pazar, Dept Chem Technol Sci, Novi Pazar, Serbia

[3] Univ Belgrade, Fac Phys Chem, Belgrade, Serbia

[4] Bioengn Res & Dev Ctr, Kragujevac, Serbia

[5] Rudjer Boskovic Inst, NMR Ctr, Zagreb, Croatia

来源：

MOLECULAR PHYSICS | 2019年 / 117卷 / 02期

关键词：

3,5-dihydroxy-4-methoxybenzyl alcohol; guaiacyl moiety; free radical scavenging; HAT; SPLET; DENSITY-FUNCTIONAL THEORY; OYSTER CRASSOSTREA-GIGAS; SET MODEL CHEMISTRY; CULTURED HUMAN HEPATOCYTES; MAIN-GROUP THERMOCHEMISTRY; PHENOLIC ANTIOXIDANT; MEDITERRANEAN DIET; OXIDATIVE STRESS; VITAMIN-E; ELECTRON;

D O I：

10.1080/00268976.2018.1506174

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Participation of guaiacyl moiety of 3,5-dihydroxy-4-methoxybenzyl alcohol (DHMBA) in inactivation of free radicals was investigated using the DFT method. The thermodynamics of triple (3H(+)/3e(-)) free radical scavenging mechanisms was investigated. The Gibbs free energies of reactions of inactivation of selected 10 free radicals indicate DHMBA as a potent scavenger. Obtained results allow us to suggest that the contribution of guaiacyl moiety to antioxidant activity of phenolic compounds should be taken into account, what has been scarcely considered until now. [GRAPHICAL ABSTRACT].

引用

页码：207 / 217

页数：11

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