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Updated: Jul 10, 2026

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy
Published on: September 17, 2017
Carbon-13 chemical shift tensors of disaccharides: measurement, computation and assignment
Limin Shao1, Jonathan R Yates, Jeremy J Titman
1School of Chemistry, University of Nottingham, University Park, Nottingham, NG7 2RD, UK.
Abstract:
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.
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