title: Solution conformation of carbohydrates: a view by using NMR assisted by modeling.
abstract: Structural elucidation of complex carbohydrates in solution is not a trivial task. From the NMR view point, the limited chemical shift dispersion of sugar NMR spectra demands the combination of a variety of NMR techniques as well as the employment of molecular modeling methods. Herein, a general protocol for assignment of resonances and determination of inter-proton distances within the saccharides by homonuclear and heteronuclear experiments (i.e., (1)H and (13)C) is described. In addition, several computational tools and procedures for getting a final ensemble of geometries that represent the structure in solution are presented.
authors.affiliation: Centro de Investigaciones Biológicas, CIB-CSIC, Madrid, Spain.
authors.forename: Dolores
authors.initials: D
authors.lastname: Díaz
authors.forename: Angeles
authors.initials: A
authors.lastname: Canales-Mayordomo
authors.forename: F Javier
authors.initials: FJ
authors.lastname: Cañada
authors.forename: Jesús
authors.initials: J
authors.lastname: Jiménez-Barbero
mesh_terms: D002236:Carbohydrate Conformation; D002240:Carbohydrate Sequence; D002241:Carbohydrates / Q000737:chemistry*; D066241:Carbon-13 Magnetic Resonance Spectroscopy; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D008958:Models, Molecular; D056004:Molecular Dynamics Simulation; D008970:Molecular Weight; D066244:Proton Magnetic Resonance Spectroscopy
chemical_list: D002241:Carbohydrates