直链淀粉
化学
结晶学
二面角
化学位移
螺旋(腹足类)
碳-13核磁共振
固态核磁共振
核磁共振谱数据库
分子动力学
计算化学
立体化学
分子
有机化学
谱线
物理化学
淀粉
核磁共振
氢键
物理
天文
生物
生态学
蜗牛
作者
Adrien Schahl,Anne Lemassu,Franck Jolibois,Valérie Réat
标识
DOI:10.1016/j.carbpol.2021.118749
摘要
Amylose is known to form inclusion complexes in the presence of hydrophobic guests. Among lipids, only single-chain fatty acids have been reported as possible guests with the surrounding amylose in a well-defined V-helix conformation. Using experimental 13C solid-state NMR, we studied the formation of inclusion complexes between amylose and a variety of multiple-chains lipids of increasing complexity. Molecular dynamics simulations and calculations of 13C isotropic chemical shifts using the Density Functional Theory approach were performed to support the interpretation of experimental spectra. We provide unambiguous evidences that amylose forms inclusion complexes with lipids bearing multiple acyl chains. Amylose conformations around these lipids are characterized by {ϕ,ψ} anomeric bond dihedral angles near {115°,105°}. In the 13C NMR spectra, this translates into C1 and C4 chemical shifts of 102.5 ppm and 81.1 ppm, regardless of the helical conformation of the amylose surrounding the acyl chains.
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