title: Preliminary investigation into the purification, NMR analysis, and molecular modelling of chondroitin sulphate epitopes.
abstract: Electrophoretic methods are outlined for the rapid purification and analysis of chondroitin sulphate oligosaccharides on a milligram scale. Isomeric impurities however, exist within specific sized oligosaccharides. Detailed 1H and 13C NMR data for the chondroitin sulphate disaccharides delta 4HexA(1-3)GalNAc6SO3- and delta 4HexA(1-3)GalNAc4SO3- (prepared from shark chondroitin sulphate) are reported. Two-dimensional NMR methods have been employed in the assignment of spectra. Preliminary models of these disaccharides are proposed from molecular mechanics conformational searching and molecular dynamics procedures. This study provides 1H and 13C NMR reference data which will be useful in the investigation of larger chondroitin sulphate oligosaccharides, such as those prepared by the electrophoretic methods mentioned above.
authors.affiliation: Lilly Research Centre Ltd., Eli Lilly and Co., Windlesham, Surrey, United Kingdom.
authors.forename: S M
authors.initials: SM
authors.lastname: D'Arcy
authors.forename: S L
authors.initials: SL
authors.lastname: Carney
authors.forename: T J
authors.initials: TJ
authors.lastname: Howe
mesh_terms: D000818:Animals; D002236:Carbohydrate Conformation; D002240:Carbohydrate Sequence; D002247:Carbon Isotopes; D002809:Chondroitin Sulfates / Q000737:chemistry* / Q000276:immunology; D004187:Disaccharides / Q000737:chemistry* / Q000276:immunology; D000939:Epitopes / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D008969:Molecular Sequence Data; D011522:Protons; D012754:Sharks
chemical_list: D002247:Carbon Isotopes; D004187:Disaccharides; D000939:Epitopes; D011522:Protons; C033269:N-acetylchondrosine; D002809:Chondroitin Sulfates