Issue 19, 2023

Resolving the complexity in human milk oligosaccharides using pure shift NMR methods and CASPER

Abstract

Human milk oligosaccharides belong to an important class of bioactive molecules with diverse effects on the development of infants. NMR is capable of providing vital structural information about oligosaccharides which can aid in determining structure–function relationships. However, this information is often concealed by signal overlap in 1H spectra, due to the narrow chemical shift range and signal multiplicity. Signal overlap in oligosaccharide spectra can be greatly reduced, and resolution improved, by utilising pure shift methods. Here the benefits of combining pure shift methods with the CASPER computational approach to resonance assignment in oligosaccharides are demonstrated.

Graphical abstract: Resolving the complexity in human milk oligosaccharides using pure shift NMR methods and CASPER

Supplementary files

Article information

Article type
Communication
Submitted
17 Mär 2023
Accepted
04 Apr 2023
First published
14 Apr 2023
This article is Open Access
Creative Commons BY license

Org. Biomol. Chem., 2023,21, 3984-3990

Resolving the complexity in human milk oligosaccharides using pure shift NMR methods and CASPER

M. J. Smith, E. L. Gates, G. Widmalm, R. W. Adams, G. A. Morris and M. Nilsson, Org. Biomol. Chem., 2023, 21, 3984 DOI: 10.1039/D3OB00421J

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