Automatic structure determination of regular polysaccharides based solely on NMR spectroscopy
2011 (English)In: Biomacromolecules, ISSN 1525-7797, E-ISSN 1526-4602, Vol. 12, no 11, 3851-3855 p.Article in journal (Refereed) Published
The structural analysis of polysaccharides requires that the sugar components and their absolute configurations are determined. We here show that this can be performed based on NMR spectroscopy by utilizing butanolysis with (+)- and (-)-2-butanol that gives the corresponding 2-butyl glycosides with characteristic 1H and 13C NMR chemical shifts. The subsequent computer-assisted structural determination by CASPER can then be based solely on NMR data in a fully automatic way as shown and implemented herein. The method is additionally advantageous in that reference data only have to be prepared once and from a user's point of view only the unknown sample has to be derivatized for use in CASPER.
Place, publisher, year, edition, pages
2011. Vol. 12, no 11, 3851-3855 p.
Organic Chemistry Biochemistry and Molecular Biology
IdentifiersURN: urn:nbn:se:su:diva-70868DOI: 10.1021/bm201169yISI: 000296830600003OAI: oai:DiVA.org:su-70868DiVA: diva2:483486
FunderSwedish Research CouncilKnut and Alice Wallenberg Foundation
authorCount :32012-01-252012-01-242013-09-19Bibliographically approved