Direct Evidence for Hydrogen Bonding in Glycans: A Combined NMR and Molecular Dynamics Study
2013 (English)In: Journal of Physical Chemistry B, ISSN 1520-6106, E-ISSN 1520-5207, Vol. 117, no 17, 4860-4869 p.Article in journal (Refereed) Published
We introduce the abundant hydroxyl groups of glycans as NMR handle's and structural probes to expand the repertoire of tools for structure function studies on glycans in solution. To this end, we present the facile detection and assignment of hydroxyl groups in a Wide range of sample concentrations (0.5-1700 mM) and temperatures, ranging from -5 to 25 degrees C.,We then exploit this information to directly detect hydrogen bonds, well-known for their importance in molecular structural determination through NMR. Via HSQC-TOCSY, we were able to determine the directionality; of these hydrogen bonds in sucrose Furthermore, by means Of molecular dynamics simulations in conjunction with NMR, we establish that one Out of the three detected hydrogen bonds arises from intermolecular interactions. This finding may shed light on glycan glycan interactions and glycan recognition by proteins.
Place, publisher, year, edition, pages
2013. Vol. 117, no 17, 4860-4869 p.
Physical Chemistry Organic Chemistry
Research subject Organic Chemistry
IdentifiersURN: urn:nbn:se:su:diva-91041DOI: 10.1021/jp400402bISI: 000318536700015OAI: oai:DiVA.org:su-91041DiVA: diva2:630485
FunderSwedish Research Council