A DFT Study of the Reaction of Acrylamide with L-Cysteine and L-Glutathione

被引：2

作者：

Ramirez-Montes, Sandra ^{[1
]}

Zarate-Hernandez, Luis A. ^{[1
]}

Rodriguez, Jose A. ^{[1
]}

Santos, Eva M. ^{[1
]}

Cruz-Borbolla, Julian ^{[1
]}

机构：

[1] Univ Autonoma Estado Hidalgo, Area Academ Quim, Carr Pachuca Tulancingo Km 4-5, Mineral De La Reforma 42184, Mexico

来源：

MOLECULES | 2022年 / 27卷 / 23期

关键词：

DFT; organosulfur compounds; acrylamide mitigation; DENSITY-FUNCTIONAL THEORY; MOLECULAR-ORBITAL METHODS; BASIS-SETS;

D O I：

10.3390/molecules27238220

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

Thermal processing of certain foods implies the formation of acrylamide, which has been proven to provoke adverse effects on human health. Thus, several strategies to mitigate it have been developed. One of them could be the application of organosulfur compounds obtained from natural sources to react with the acrylamide, forming non-toxic adducts. A DFT study of the acrylamide reaction with the organosulfur model compounds L-cysteine and L-glutathione by Michael addition and a free radical pathway complemented by a kinetic study of these model molecules has been applied. The kinetic evaluation results demonstrate that the L-glutathione reaction exhibited a higher rate constant than the other studied compound.

引用

页数：8

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