NMR and modelling studies of disaccharide conformation

被引：68

作者：

Cheetham, NWH ^{[1
]}

Dasgupta, P ^{[1
]}

Ball, GE ^{[1
]}

机构：

[1] Univ New S Wales, Sch Chem Sci, NMR Facil, Sydney, NSW 2052, Australia

来源：

CARBOHYDRATE RESEARCH | 2003年 / 338卷 / 09期

关键词：

disaccharides; conformation; H-1; NMR; C-13; long-range C-13-H-1 coupling constants; molecular dynamics;

D O I：

10.1016/S0008-6215(03)00069-7

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

Long-range heteronuclear coupling constants were measured across the glycosidic linkages for a series of eight alpha- or beta-linked disaccharides in aqueous solution. Multiple C-13 site-selective excitation experiments using H-1 decoupling in conjunction with pulsed field gradient-enhanced spectroscopy were used to determine (3)J(C.H) values. These were subsequently compared with the respective couplings calculated, using a Karplus relationship, from molecular dynamics simulations with the explicit inclusion of water. (C) 2003 Elsevier Science Ltd. All rights reserved.

引用

页码：955 / 962

页数：8

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