葡萄糖和甲胺马氏反应的理论研究：阿马多尔里重排产物的形成

IF 1.3 4区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Bulletin of the Chemical Society of Ethiopia Pub Date : 2024-01-23 DOI:10.4314/bcse.v38i2.20

Weiwei Huan, Hongchen Du, Rongkai Pan, Jie Li, Lijuan Feng

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引用次数: 0

摘要

本研究利用密度泛函理论计算研究了 Maillard 反应的机理。本研究使用葡萄糖和氨基甲烷作为初始反应物。计算结果表明，阿莫多利重排反应是速率控制步骤，相应的能量势能为 402 kJ/mol，焓变为 219 kJ/mol，这是一个内热反应，因此需要从外部提供能量才能使反应继续进行。计算结果与之前的研究结果非常吻合，可以帮助人们深入了解马氏反应的反应机理。这些发现将有助于进一步研究并找出正确的反应机理。关键词：食品化学机理过渡态计算化学 Bull.Chem.Soc.2024, 38(2), 539-545. DOI: https://dx.doi.org/10.4314/bcse.v38i2.20

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Theoretical study on glucose and methylamine Maillard reaction: formation of the Amadori rearrangement products

In the present study, the mechanism of Maillard reaction was investigated using density functional theory calculations. Glucose and aminomethane were used as initial reactants in this study. The calculations show that the Amadori rearrangement reaction is the rate-controlling step with a corresponding energy potential of 402 kJ/mol，the enthalpy change is 219 kJ/mol, which is an endothermic reaction and therefore energy needs to be supplied from outside if the reaction is to proceed. The calculated results are in good agreement with the previous findings and can provide insight into the reaction mechanism of the Maillard reaction. These findings will help further research and find out the correct reaction mechanism. KEY WORDS: Food chemistry, Mechanism, Transition State, Computational chemistry Bull. Chem. Soc. Ethiop. 2024, 38(2), 539-545. DOI: https://dx.doi.org/10.4314/bcse.v38i2.20

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来源期刊

Bulletin of the Chemical Society of Ethiopia 化学-化学综合

CiteScore

2.20

自引率

8.30%

发文量

113

审稿时长

6-12 weeks

期刊介绍： The Bulletin of the Chemical Society of Ethiopia (BCSE) is a triannual publication of the Chemical Society of Ethiopia. The BCSE is an open access and peer reviewed journal. The BCSE invites contributions in any field of basic and applied chemistry.