A H-1-NMR AND MD STUDY OF INTRAMOLECULAR HYDROGEN-BONDS IN METHYL BETA-CELLOBIOSIDE

被引：104

作者：

LEEFLANG, BR

VLIEGENTHART, JFG

KROONBATENBURG, LMJ

VANEIJCK, BP

KROON, J

机构：

[1] UNIV UTRECHT,BIJVOET CTR,DEPT BIOORGAN CHEM,POB 8075,3508 TB UTRECHT,NETHERLANDS

[2] UNIV UTRECHT,BIJVOET CTR,DEPT CRYSTAL & STRUCT CHEM,3508 TB UTRECHT,NETHERLANDS

来源：

CARBOHYDRATE RESEARCH | 1992年 / 230卷 / 01期

关键词：

D O I：

10.1016/S0008-6215(00)90512-3

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：

The existence of an HO-3 ... O-5' intramolecular hydrogen bond in methyl beta-cellobioside in solution in Me2SO-d6 and H2O-CD3OD (4:1 w/w) was studied by 500-MHz H-1-NMR spectroscopy and MD simulations. Temperature coefficients for the chemical shift of the hydroxyl resonances in these solvents were determined and the rates of proton exchange in the latter solvent were obtained from NOE data. With H2O-CD3OD as the solvent, the HO-3 ... O-5' hydrogen bond was insignificant. but its presence in Me2SO-d6 was confirmed.

引用

页码：41 / 61

页数：21

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