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