ArticleJournal of molecular modeling2015
Explore the reaction mechanism of the Maillard reaction: a density functional theory study.
Article in Journal of molecular modeling, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.
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Who cites it
8 citing papers in PubMed.
- Density functional theory insights into the most reactive sugar and amino acid pair for Amadori rearrangement in the Maillard reaction.Current research in food science · 2026Article
- Density functional theory insights into the formation mechanisms and reaction rates of Strecker aldehydes.RSC advances · 2025Article
- Maillard Reaction: Mechanism, Influencing Parameters, Advantages, Disadvantages, and Food Industrial Applications: A Review.Foods (Basel, Switzerland) · 2025Review
- Computational study on the Maillard reactions of glucose and galactose with lysine.Journal of molecular modeling · 2024Article
- Evidence of Gas Phase Glucosyl Transfer and Glycation in the CID/HCD-Spectra of S-Glucosylated Peptides.International journal of molecular sciences · 2024Article
- Antioxidant, aroma, and sensory characteristics of Maillard reaction products fromFrontiers in nutrition · 2024Article
- Advanced glycation end product signaling and metabolic complications: Dietary approach.World journal of diabetes · 2023Review
- Comprehensive Analysis of Protein Glycation Reveals Its Potential Impacts on Protein Degradation and Gene Expression in Human Cells.Journal of the American Society for Mass Spectrometry · 2019Article
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Authors and funding
6 authors.
Funding
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Abstract
The mechanism of Maillard reaction has been investigated by means of density functional theory calculations in the gaseous phase and aqueous solution. The Maillard reaction is a cascade of consecutive and parallel reaction. In the present model system study, glucose and glycine were taken as the initial reactants. On the basis of previous experimental results, the mechanisms of Maillard reaction have been proposed, and the possibility for the formation of different compounds have been evaluated through calculating the relative energy changes for different steps of reaction under different pH conditions. Our calculations reveal that the TS3 in Amadori rearrangement reaction is the rate-determining step of Maillard reaction with the activation barriers of about 66.7 and 68.8 kcal mol(-1) in the gaseous phase and aqueous solution, respectively. The calculation results are in good agreement with previous studies and could provide insights into the reaction mechanism of Maillard reaction, since experimental evaluation of the role of intermediates in the Maillard reaction is quite complicated.
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25934157What OpenQuestion holds
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