Conformation of the glycosidic linkage in a disaccharide investigated by double-quantum solid-state NMR

Double-quantum heteronuclear local field NMR is performed on a sample of a C-13(2)-labeled disaccharide, in which the two C-13 spins are located on opposite sides of the glycosidic linkage. The evolution of the double-quantum coherences is found to be consistent with the solid-state conformation of the molecule, as previously determined by X-ray diffraction. The dependence of the double-quantum evolution on the glycosidic torsional angles is examined by using a graphical molecular manipulation program interfaced to a numerical spin simulation module. (C) 2001 Academic Press.