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Facile Structural Elucidation of Glycans Using NMR Spectroscopy Data and the Program CASPER: Application to the O‐Antigen Polysaccharide of Escherichia coli O155
Author(s) -
Fontana Carolina,
Weintraub Andrej,
Widmalm Göran
Publication year - 2013
Publication title -
chempluschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.801
H-Index - 61
ISSN - 2192-6506
DOI - 10.1002/cplu.201300273
Subject(s) - escherichia coli , polysaccharide , glycan , nuclear magnetic resonance spectroscopy , strain (injury) , spectroscopy , chemistry , antigen , computational biology , microbiology and biotechnology , biochemistry , combinatorial chemistry , stereochemistry , biology , gene , genetics , physics , glycoprotein , anatomy , quantum mechanics
Time saver : The program CASPER was successfully employed to rapidly elucidate a new O‐antigen polysaccharide structure (obtained from a strain of Escherichia coli serogroup O155), using solely unassigned NMR spectroscopy data as input information. Thus, what is considered the most tedious and time‐consuming part of the structural elucidation process has been reduced from several hours (or even days) of manual interpretation to about four minutes of automated analysis.