Hydrogen Bonds Sites of Amylose or Amylopectin from Starch at the ONION Level (B3LYP/6-311++G [d, p]: AM1)

• 作者: Ablé Anoh Valentin N’Guessan Boka Robert Bamba El Hadji Sawaliho
• 来源期刊: 计算化学(英文)
• 学科: 化学
• 关键词: Hydrogen Bonds Glucose AMYLOSE AMYLOPECTIN
• 年，卷（期）: 2021,（1）
• 页码范围: 85-96
• 页数: 12页
• 分类号: O62

摘要

The research aims to help reduce the enormous post-harvest losses of rice or bananas in Cote d’Ivoire. It focuses on the breakdown mechanism of their starch. This process contributes to their decay. This study wants to elucidate it;to do this, it analyzes the tetra or penta saccharide reactions with the water or dioxide carbon. It calculates the geometric, energetic and spectroscopic parameters at the ONIOM level (B3LYP/6-311++G [d, p]: AM1). These quantities allow establishing that oxygen <img src="Edit_7761c26d-f67d-4826-ab0e-8bff55d6faa3.png" alt="" /> represents the privileged hydrogen bond (HB) site for amylose with four or five D-glucose building blocks. They suggest  <img src="Edit_ecd55400-653e-43d0-986d-9814259ebda7.png" alt="" /> and  <img src="Edit_048b683f-5690-4078-b8ad-88fa25c5875c.png" alt="" /> are respectively those of amylopectin when the latter consists of four and five D-glucose synthons. They prove that amylose deteriorates before it;the degradation of starch begins with its alteration into disaccharides. It continues with that of amylopectin into tri or tetra-saccharides with four or five building blocks.