Please cite as:
Structure Analysis of Glycans by NMR Chemical Shift Prediction
M. Lundborg and G. Widmalm;
Anal. Chem. 2011, 83, 1514-1517. Doi: 10.1021/ac1032534.
Sequence determination of oligosaccharides and regular polysaccharides using NMR spectroscopy and a novel Web-based version of the computer program CASPER
P.-E. Jansson, R. Stenutz and G. Widmalm;
Carbohydr. Res. 2006, 341, 1003-10;
Help using CASPER. See also the manual.
Determine the sequence of a poly- or oligo-saccharide
from NMR chemical shifts. Results from methylation and
sugar analysis can improve the results and shorten the
calculation times and should therefore be submitted if available.
Structure determinations cannot run for more than 8 minutes to reduce
the server load. Longer runs can be performed on request.
Example 1 - a (1->6) glucan
Example 2 - a Shigella LPS
Example 3 - a xylose containing N-glycan
Chemical Shift Calculations
Build a structure, simulate its 13C- and
1H-NMR spectra, and, optionally assign
Example 1 - Assignment of the
13C-spectrum of methyl b-cellobioside.
Determine the components, and their absolute configuration, of a butanolysed poly- or oligosaccharide.
See Automatic Structure Determination of Regular Polysaccharides Based Solely on NMR Spectroscopy.
M. Lundborg, C. Fontana, G. Widmalm.
Biomacromolecules, 2011, 12, 3851-3855.
List of CASPER related references.
All comments are welcome. Please send them to:
Graphical representation of structures in CASPER is made using GlycanBuilder.
The GlycanBuilder: a fast, intuitive and flexible software tool for building and displaying glycan structures
A.Ceroni, A.Dell and S.M.Haslam; Source Code for Biology and Medicine, 2007,2:3
3D structures generated by CarbBuilder.
CarbBuilder: an adjustable tool for building 3D molecular structures of carbohydrates for molecular simulation.
Y. Mao, M. Lundborg, G. Widmalm, M. Kuttel; In Proceedings 7th IEEE International Conference on e-Science, Stockholm, Sweden.