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Frisch, M.J., Trucks, G.W., Schlegel, H.B., Scuseria, G.E., Robb, M.A., Cheeseman, J.R., Scalmani, G., Baronne, V., Mennucci, B., Peterson, G.A., Nakatsuji, H., Caricato, M., Li, X., Hratchian, H.P., Izmaylov, A.F., Bloino, J., Zheng, G. and Sonnenberg, J.L. (2009) Gaussian 09, Revision A.02. Gaussian, inc., Wallingford.

has been cited by the following article:

• TITLE: The Oryzenin’s Effect on Di, Tri and Quadri-Saccharide Degradation. An Investigation by a Mixed Method: ONIOM (DFT/B3LYP/6 - 31 + G(d, p): AM1)

  AUTHORS: N’guessan Boka Robert, Bamba El Hadji Sawaliho, Koffi Kouassi Alain

  KEYWORDS: Paddy Rice, Oryzenin, Amyloidosis, Hydrogen Bond

  JOURNAL NAME: Computational Chemistry, Vol.10 No.2, April 29, 2022

  ABSTRACT: The paddy rice degradation remains a concern for research; the chemical phenomena underlying this process persists unknown. This research aims to identify the mechanism of starch degradation. It determines the nature of the reactions between two, three and four synthons of amylose with oryzenin using theoretical methods. The ONIOM (DFT/B3LYP/6 - 31 + G(d, p): AM1) level of theory is performed on four monomers and eight complexes. Frequencies make it possible to obtain energy and spectroscopic quantities. Calculations after geometry optimization. Following this, a “single point” allows exploiting the “Natural Bond Orbital (NBO)” analysis. The first three parameters suggest that the main interactions between oryzenin and amylose arise through O29-H30…O46 hydrogen bonds (HB). Furthermore, this result posits that the length of the amylose doesn’t influence this reaction. The NBO analysis shows that this component of starch degrades first at the end of the chain to produce monosaccharides; it can also alter in the middle of the chain to give disaccharides.