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硫酸软骨素表位的纯化、核磁共振分析及分子建模的初步研究。

Preliminary investigation into the purification, NMR analysis, and molecular modelling of chondroitin sulphate epitopes.

作者信息

D'Arcy S M, Carney S L, Howe T J

机构信息

Lilly Research Centre Ltd., Eli Lilly and Co., Windlesham, Surrey, United Kingdom.

出版信息

Carbohydr Res. 1994 Mar 4;255:41-59. doi: 10.1016/s0008-6215(00)90970-4.

DOI:10.1016/s0008-6215(00)90970-4
PMID:7514098
Abstract

Electrophoretic methods are outlined for the rapid purification and analysis of chondroitin sulphate oligosaccharides on a milligram scale. Isomeric impurities however, exist within specific sized oligosaccharides. Detailed 1H and 13C NMR data for the chondroitin sulphate disaccharides delta 4HexA(1-3)GalNAc6SO3- and delta 4HexA(1-3)GalNAc4SO3- (prepared from shark chondroitin sulphate) are reported. Two-dimensional NMR methods have been employed in the assignment of spectra. Preliminary models of these disaccharides are proposed from molecular mechanics conformational searching and molecular dynamics procedures. This study provides 1H and 13C NMR reference data which will be useful in the investigation of larger chondroitin sulphate oligosaccharides, such as those prepared by the electrophoretic methods mentioned above.

摘要

概述了电泳方法,用于毫克级硫酸软骨素寡糖的快速纯化和分析。然而,特定大小的寡糖中存在异构体杂质。报道了硫酸软骨素二糖δ4HexA(1-3)GalNAc6SO3-和δ4HexA(1-3)GalNAc4SO3-(由鲨鱼硫酸软骨素制备)的详细1H和13C NMR数据。二维NMR方法已用于光谱归属。通过分子力学构象搜索和分子动力学程序提出了这些二糖的初步模型。本研究提供了1H和13C NMR参考数据,这将有助于研究更大的硫酸软骨素寡糖,例如通过上述电泳方法制备的那些。

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