Carbon-13 chemical shift tensors of disaccharides: measurement, computation and assignment.

Journal article

A recently developed chemical shift anisotropy amplification solid-state nuclear magnetic resonance (NMR) experiment is applied to the measurement of the chemical shift tensors in three disaccharides: sucrose, maltose, and trehalose. The measured tensor principal values are compared with those calculated from first principles using density functional theory within the planewave-pseudopotential approach. In addition, a method of assigning poorly dispersed NMR spectra, based on comparing experimental and calculated shift anisotropies as well as isotropic shifts, is demonstrated.

Authors: Shao, L; Yates, JR; Titman, J

• Publication status: Published
• Journal: journal of physical chemistry. A
• Volume: 111
• Issue: 50
• Pages: 13126-13132
• Publication date: 2007-12-01
• DOI: 10.1021/jp075921b
• EISSN: 1520-5215
• ISSN: 1089-5639
• Language: English
• Keywords: Carbon Isotopes; Disaccharides; X-Ray Diffraction; Magnetic Resonance Spectroscopy; Carbohydrate Conformation