NMR and modelling studies of disaccharide conformation

Carbohydr Res. 2003 Apr 22;338(9):955-62. doi: 10.1016/s0008-6215(03)00069-7.

Abstract

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 13C site-selective excitation experiments using 1H decoupling in conjunction with pulsed field gradient-enhanced spectroscopy were used to determine 3J(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.

MeSH terms

  • Carbohydrate Conformation
  • Carbohydrate Sequence
  • Computer Simulation
  • Disaccharides / chemistry*
  • Magnetic Resonance Spectroscopy
  • Models, Molecular

Substances

  • Disaccharides