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Mechanism of Degradation of Rice Starch Amylopectin by Oryzenin Using ONIOM Quantum Calculations [DFT/B3LYP/6-31+G(D, P): AM1]

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  1. 1 Laboratoire de Constitution et de Réaction de la Matière, UFR SSMT, Université Félix Houphouët-Boigny, Abidjan, Côte d’Ivoire
Computational Chemistry·Volume 10, Issue 4·Pages 139–156·Published 30 August 2022·DOI10.4236/cc.2022.104007
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Abstract

Understanding the molecular factors of rice degradation during its aging concerns our research team. This article emphasizes oryzenin-amylopectin. It aims to reveal the mechanism of amylopectin deterioration during rice aging. The research exploits the Natural Bond Analysis and ONION method at theory level DFT/B3LYP/6-31+G(d, p) and AM1. This methodological approach allows highlighting amylopectin transformation; oryzenin converts amylopectin into amyloidosis in continuous. This led to monosaccharides and disaccharides.

KeywordsAmylopectinHydrogen BondTheoretical MethodStarchOryzenin
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