Insights into the Maillard reaction. The mechanism of Schiff's base formation from the reaction force perspective

Abstract

Schiff's base formation of the Maillard reaction is described from a theoretical viewpoint. The double proton transfer reaction was investigated within the frame of reaction force analysis in which global and local electronic properties were monitored within reaction regions defined along the reaction coordinate. Calculations based on density functional theory show that Schiff's base formation in the Maillard reaction occurs through an asynchronous double proton transfer, the second proton transfer being the determinant step of the reaction.

Keywords:

• Maillard reaction
• reaction mechanism
• reaction force
• conceptual DFT

Acknowledgements

Financial support from FONDECYT through projects 1090460, 1050965 and 11070197 is gratefully acknowledged. P. Flores-Morales wants to thank CONICYT for a doctoral fellowship and for project BECA AT-24060052. The authors wish to thank Dr Pablo Jaque for helpful discussions.