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Measurement of 1 H– 1 H Residual Dipolar Coupling Constants for Structural Studies of Medium Size Molecules
Author(s) -
Jin Lan,
Pham Tran N.,
Uhrín Dušan
Publication year - 2007
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.200700071
Subject(s) - chemistry , residual dipolar coupling , proton , molecule , cellobiose , heteronuclear molecule , magnetic dipole–dipole interaction , proton nmr , dipole , coupling constant , computational chemistry , nuclear magnetic resonance spectroscopy , analytical chemistry (journal) , crystallography , chemical physics , stereochemistry , organic chemistry , cellulose , physics , quantum mechanics , cellulase , particle physics
Residual dipolar coupling constants (RDCs) are being increasingly applied to elucidate the configuration and conformation of small organic molecules, peptides and oligosaccharides. In this paper we describe a set of robust 1D NMR methods for accurate and precise measurement of proton–proton RDCs of small and medium size molecules. The performance of these techniques is not impeded by the presence of overlapping and broad 1 H multiplets that are typically observed for such molecules in weakly aligned media. The use of these techniques provides access to a large pool of proton–proton RDCs opening new avenues for the solution structure elucidation of medium size molecules by NMR. The techniques are illustrated on the determination of the alignment tensor of the reducing monosaccharide ring of cellobiose and the determination of the relative configuration of sodium cholate.