Density functional computational studies on the glucose and glycine Maillard reaction: Formation of the Amadori rearrangement products
作者： Abraham F. Jalbout , Amlan K. Roy , Abul Haider Shipar , M. Samsuddin Ahmed
DOI: 10.1002/QUA.21438
关键词: Computational chemistry 、 Glycine 、 Electronic energy 、 Amadori rearrangement 、 Work (thermodynamics) 、 Density functional theory 、 Maillard reaction 、 Chemistry 、 Organic chemistry
摘要: Theoretical energy changes of various intermediates leading to the formation Amadori rearrangement products (ARPs) under different mechanistic assumptions have been calculated, by using open chain glucose (O-Glu)/closed (A-Glu and B-Glu) glycine (Gly) as a model for Maillard reaction. Density functional theory (DFT) computations applied on proposed mechanisms pH conditions. Thus, possibility compounds electronic steps in has evaluated. B-Glu found be more efficient than A-Glu, A-Glu O-Glu The reaction basic condition is most favorable ARPs. Other pathways computed discussed this work. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2008
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