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 o...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.展开更多
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 ri...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.展开更多
文摘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.
文摘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.