期刊
CHEMISTRY-A EUROPEAN JOURNAL
卷 17, 期 34, 页码 9368-9376出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/chem.201100854
关键词
glycosidic bonds; molecular dynamics; NMR spectroscopy; oligosaccharides; paramagnetism
资金
- Max Planck Society
- Swedish Research Council [2004-3073, 2007-4407]
- Spanish Ministerio de Ciencia e Innovacin
- Xunta de Galicia (Conselleria de Educacion) [2009/071]
The dynamics of the glycosidic bond of lactose was studied by a paramagnetic tagging-based NMR technique, which allowed the collection of an unusually large series of NMR data for a single compound. By the use of distance-and orientation-dependent residual dipolar couplings and pseudocontact shifts, the simultaneous fitting of the probabilities of computed conformations and the orientation of the magnetic susceptibility tensor of a series of lanthanide complexes of lactose show that its glycosidic bond samples syn/syn, anti/syn and syn/anti phi/psi regions of the conformational space in water. The analysis indicates a higher reliability of pseudocontact shift data as compared to residual dipolar couplings with the presently available weakly orienting paramagnetic tagging technique. The method presented herein allows for an improved understanding of the dynamic behaviour of oligosaccharides.
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