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J ‐modulated 1D directed COSY for precise measurement of proton–proton residual dipolar coupling constants of oligosaccharides
Author(s) -
Pham Tran N.,
Liptaj Tibor,
Barlow Paul N.,
Uhrín Dušan
Publication year - 2002
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1088
Subject(s) - chemistry , coupling constant , residual dipolar coupling , proton , dipole , residual , spectral line , analytical chemistry (journal) , excitation , polarization (electrochemistry) , nuclear magnetic resonance , molecular physics , chromatography , physics , organic chemistry , particle physics , quantum mechanics , algorithm , astronomy , computer science
A simple selective 1D experiment for the accurate and precise determination of residual proton–proton dipolar coupling constants of oligosaccharides is proposed. The technique is based on the concept of J ‐modulated spectroscopy and provides coupling constants by fitting the peak intensities from a series of spectra to known transfer functions with a precision of ±0.02 Hz for splittings >0.3 Hz. This level of precision is possible owing to limiting the number of sites for polarization transfer. Selective pulses and pulsed field gradients are used for selective excitation and coherence selection, yielding clean, artefact‐free spectra. The technique is illustrated using trisaccharide samples in Pf1 phage. Copyright © 2002 John Wiley & Sons, Ltd.