Journal
ANALYTICAL CHEMISTRY
Volume 83, Issue 5, Pages 1514-1517Publisher
AMER CHEMICAL SOC
DOI: 10.1021/ac1032534
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Funding
- European Union [011952]
- Swedish Research Council
- Knut and Alice Wallenberg Foundation
- Lars Hierta Memorial Foundation
- Magn. Bergvall Foundation
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Structural determination of N- and O-linked. glycans as well as polysaccharides is hampered by the limited spectral dispersion. The computerized approach CASPER, an acronym for computer assisted spectrum evaluation of regular polysaccharides, uses liquid state NMR data to elucidate carbohydrate structure based on agreement with predicted H-1 and C-13 chemical shifts. We here demonstrate developments based on multiple through bond J-based correlations that significantly enhance the credence to the sequence connectivities proposed in the analysis exemplified by an oligosaccharide and a bacterial polysaccharide. The approach is also suitable for predicting H-1 and C-13 NMR chemical shifts of synthesized oligosaccharides and glycoconjugates, thereby corroborating a proposed structure.
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