Rapid rot of plantain causes post-harvest loss of at least 30%. It can be a source of food insecurity for consuming populations. It is linked to its polysaccharide degradation. Proposed physicochemical solutions have still not made it possible to significantly reduce this risk. Its main origin isn’t considered. This compound is formed of amylose and amylopectin. Our previous works attempted to understand this process as a first step. This knowledge may facilitate the solutions to protect these polysaccharides. The mechanism of their degradation under the action of a single water molecule is simulated. Amylose with four (AM4G) or five (AM5G) building blocks is broken down into disaccharides; amylopectin with four synthons (AMP4G) into trisaccharides and with five (AMP5G) is transformed into tetra-saccharides. The destructive hydrogen bonds (HB) are located around the osidic bridge targeted by the H2O. Higher-order oxygen seems to participate. However, this work allowed us to partially understand this mechanism. The links underlying starch splitting are not shown. The modalities of its deterioration following the simultaneous attack of two H2O are unknown. This article aims to address these weaknesses. This research directs to establish the mechanism of starch degradation under the combined action of two H2O. It intends to explain the connections involved in these processes. To do this, its method relies on the resources of quantum chemistry. Interactions polysaccharide-water is assessed by ONIOM method [ONIOM (B3LYP/6-311++G(d, p): AM1)]. Their energies and the electronic charge transfer are provided by the Natural Bond Orbital calculations. The geometric, energetic, spectroscopic parameters of the molecules and the electron density are generated with Gaussian09. The preferred HB sites for AM4G or AMP4G are respectively O37 (O2sp3) and O63 (O'3sp3). Oxygen O37 (O2sp3) is an HB anchor for AM5G. O14 (O'1sp3) and O86 (O'4sp3) are for those of AMP5G. In addition, amylose is degraded before the latter. The division of the complexes into several bonds results from the interactions of the H2O on the different saccharide bridges of the synthons. Thus, the O14-C25, O37-C46 and O58-C67 are involved in the cleavage of AM4G. The O13-C21, O55-C65 and O63-C43 are in that of AMP4G. The O14-C25, O37-C46 and C50-O58 and O79-C107 are associated with that of AM5G. O14-C25, O35-C44, O78-C88 and C30-O86 are those connected to AMP5G.
| Published in | Science Journal of Chemistry (Volume 11, Issue 6) |
| DOI | 10.11648/j.sjc.20231106.11 |
| Page(s) | 197-211 |
| Creative Commons |
This is an Open Access article, distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution and reproduction in any medium or format, provided the original work is properly cited. |
| Copyright |
Copyright © The Author(s), 2024. Published by Science Publishing Group |
Starch, ONIOM, NBO Analysis, Hydrogen Bonds, Amylose and Amylopectin
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| [4] | Able Anoh Valentin, N’Guessan Boka Robert and Bamba El-Hadji Sawaliho. 2020. Monosaccharide Degradation Analysis by Functional Density Theory at Level B3lyp/6-311G (d, p). Op. Acc. J. Bio. Sci and Res, 6(2). DOI: 10.46718/JBGSR.2020.06.000144. |
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APA Style
Robert, N. B., Valentin, A. A., Sawaliho, B. E. H. (2023). Osidic Bridges of Amylose and Amylopectin Degradations by Water Molecules: Formulation of a Mechanism. Science Journal of Chemistry, 11(6), 197-211. https://doi.org/10.11648/j.sjc.20231106.11
ACS Style
Robert, N. B.; Valentin, A. A.; Sawaliho, B. E. H. Osidic Bridges of Amylose and Amylopectin Degradations by Water Molecules: Formulation of a Mechanism. Sci. J. Chem. 2023, 11(6), 197-211. doi: 10.11648/j.sjc.20231106.11
AMA Style
Robert NB, Valentin AA, Sawaliho BEH. Osidic Bridges of Amylose and Amylopectin Degradations by Water Molecules: Formulation of a Mechanism. Sci J Chem. 2023;11(6):197-211. doi: 10.11648/j.sjc.20231106.11
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Download@article{10.11648/j.sjc.20231106.11,
author = {N’Guessan Boka Robert and Ablé Anoh Valentin and Bamba El Hadji Sawaliho},
title = {Osidic Bridges of Amylose and Amylopectin Degradations by Water Molecules: Formulation of a Mechanism},
journal = {Science Journal of Chemistry},
volume = {11},
number = {6},
pages = {197-211},
doi = {10.11648/j.sjc.20231106.11},
url = {https://doi.org/10.11648/j.sjc.20231106.11},
eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.sjc.20231106.11},
abstract = {Rapid rot of plantain causes post-harvest loss of at least 30%. It can be a source of food insecurity for consuming populations. It is linked to its polysaccharide degradation. Proposed physicochemical solutions have still not made it possible to significantly reduce this risk. Its main origin isn’t considered. This compound is formed of amylose and amylopectin. Our previous works attempted to understand this process as a first step. This knowledge may facilitate the solutions to protect these polysaccharides. The mechanism of their degradation under the action of a single water molecule is simulated. Amylose with four (AM4G) or five (AM5G) building blocks is broken down into disaccharides; amylopectin with four synthons (AMP4G) into trisaccharides and with five (AMP5G) is transformed into tetra-saccharides. The destructive hydrogen bonds (HB) are located around the osidic bridge targeted by the H2O. Higher-order oxygen seems to participate. However, this work allowed us to partially understand this mechanism. The links underlying starch splitting are not shown. The modalities of its deterioration following the simultaneous attack of two H2O are unknown. This article aims to address these weaknesses. This research directs to establish the mechanism of starch degradation under the combined action of two H2O. It intends to explain the connections involved in these processes. To do this, its method relies on the resources of quantum chemistry. Interactions polysaccharide-water is assessed by ONIOM method [ONIOM (B3LYP/6-311++G(d, p): AM1)]. Their energies and the electronic charge transfer are provided by the Natural Bond Orbital calculations. The geometric, energetic, spectroscopic parameters of the molecules and the electron density are generated with Gaussian09. The preferred HB sites for AM4G or AMP4G are respectively O37 (O2sp3) and O63 (O'3sp3). Oxygen O37 (O2sp3) is an HB anchor for AM5G. O14 (O'1sp3) and O86 (O'4sp3) are for those of AMP5G. In addition, amylose is degraded before the latter. The division of the complexes into several bonds results from the interactions of the H2O on the different saccharide bridges of the synthons. Thus, the O14-C25, O37-C46 and O58-C67 are involved in the cleavage of AM4G. The O13-C21, O55-C65 and O63-C43 are in that of AMP4G. The O14-C25, O37-C46 and C50-O58 and O79-C107 are associated with that of AM5G. O14-C25, O35-C44, O78-C88 and C30-O86 are those connected to AMP5G.
},
year = {2023}
}
TY - JOUR T1 - Osidic Bridges of Amylose and Amylopectin Degradations by Water Molecules: Formulation of a Mechanism AU - N’Guessan Boka Robert AU - Ablé Anoh Valentin AU - Bamba El Hadji Sawaliho Y1 - 2023/11/09 PY - 2023 N1 - https://doi.org/10.11648/j.sjc.20231106.11 DO - 10.11648/j.sjc.20231106.11 T2 - Science Journal of Chemistry JF - Science Journal of Chemistry JO - Science Journal of Chemistry SP - 197 EP - 211 PB - Science Publishing Group SN - 2330-099X UR - https://doi.org/10.11648/j.sjc.20231106.11 AB - Rapid rot of plantain causes post-harvest loss of at least 30%. It can be a source of food insecurity for consuming populations. It is linked to its polysaccharide degradation. Proposed physicochemical solutions have still not made it possible to significantly reduce this risk. Its main origin isn’t considered. This compound is formed of amylose and amylopectin. Our previous works attempted to understand this process as a first step. This knowledge may facilitate the solutions to protect these polysaccharides. The mechanism of their degradation under the action of a single water molecule is simulated. Amylose with four (AM4G) or five (AM5G) building blocks is broken down into disaccharides; amylopectin with four synthons (AMP4G) into trisaccharides and with five (AMP5G) is transformed into tetra-saccharides. The destructive hydrogen bonds (HB) are located around the osidic bridge targeted by the H2O. Higher-order oxygen seems to participate. However, this work allowed us to partially understand this mechanism. The links underlying starch splitting are not shown. The modalities of its deterioration following the simultaneous attack of two H2O are unknown. This article aims to address these weaknesses. This research directs to establish the mechanism of starch degradation under the combined action of two H2O. It intends to explain the connections involved in these processes. To do this, its method relies on the resources of quantum chemistry. Interactions polysaccharide-water is assessed by ONIOM method [ONIOM (B3LYP/6-311++G(d, p): AM1)]. Their energies and the electronic charge transfer are provided by the Natural Bond Orbital calculations. The geometric, energetic, spectroscopic parameters of the molecules and the electron density are generated with Gaussian09. The preferred HB sites for AM4G or AMP4G are respectively O37 (O2sp3) and O63 (O'3sp3). Oxygen O37 (O2sp3) is an HB anchor for AM5G. O14 (O'1sp3) and O86 (O'4sp3) are for those of AMP5G. In addition, amylose is degraded before the latter. The division of the complexes into several bonds results from the interactions of the H2O on the different saccharide bridges of the synthons. Thus, the O14-C25, O37-C46 and O58-C67 are involved in the cleavage of AM4G. The O13-C21, O55-C65 and O63-C43 are in that of AMP4G. The O14-C25, O37-C46 and C50-O58 and O79-C107 are associated with that of AM5G. O14-C25, O35-C44, O78-C88 and C30-O86 are those connected to AMP5G. VL - 11 IS - 6 ER -
Laboratory of Constitution and Reaction of Matter, Unity of Formation and Research Science of Structure Matter and Technology, University Félix Houphouet-Boigny, Abidjan, Côte d’Ivoire
Laboratory of Constitution and Reaction of Matter, Unity of Formation and Research Science of Structure Matter and Technology, University Félix Houphouet-Boigny, Abidjan, Côte d’Ivoire
Laboratory of Constitution and Reaction of Matter, Unity of Formation and Research Science of Structure Matter and Technology, University Félix Houphouet-Boigny, Abidjan, Côte d’Ivoire
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