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

CC > Vol.10 No.4, October 2022

Volume 10, Issue 4 (October 2022)

ISSN Print: 2332-5968 ISSN Online: 2332-5984

Google-based Impact Factor: 0.82 Citations

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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DOI: 10.4236/cc.2022.104007 251 Downloads 968 Views Citations

Author(s)

Bamba El Hadji Sawaliho^*, N’Guessan Boka Robert

Affiliation(s)

Laboratoire de Constitution et de Réaction de la Matière, UFR SSMT, Université Félix Houphouët-Boigny, Abidjan, Côte d’Ivoire.

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.

KEYWORDS

Amylopectin, Hydrogen Bond, Theoretical Method, Starch, Oryzenin

Share and Cite:

Sawaliho, B. and Robert, N. (2022) Mechanism of Degradation of Rice Starch Amylopectin by Oryzenin Using ONIOM Quantum Calculations [DFT/B3LYP/6-31+G(D, P): AM1]. Computational Chemistry, 10, 139-156. doi: 10.4236/cc.2022.104007.

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