TITLE:
Mechanism of Degradation of Rice Starch Amylopectin by Oryzenin Using ONIOM Quantum Calculations [DFT/B3LYP/6-31+G(D, P): AM1]
AUTHORS:
Bamba El Hadji Sawaliho, N’Guessan Boka Robert
KEYWORDS:
Amylopectin, Hydrogen Bond, Theoretical Method, Starch, Oryzenin
JOURNAL NAME:
Computational Chemistry,
Vol.10 No.4,
August
31,
2022
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.