title: Building up key segments of N-glycans in the gas phase: intrinsic structural preferences of the alpha(1,3) and alpha(1,6) dimannosides.
abstract: The intrinsic conformer specific vibrational spectra of two important subunits of the core pentasaccharide of N-linked glycans, the alpha(1,3) and alpha(1,6) dimannosides, have been recorded in the gas phase. Coupling these measurements with a computational exploration of their conformational landscapes has enabled their conformational assignment and has identified characteristic vibrational signatures associated with particular conformational families-including those that do or do not display inter-ring hydrogen bonding across the glycosidic linkage. In addition, the IR spectra of the monosaccharide moieties provide benchmarks, through which the conformational assignments can be refined. This introduces a general concept of modularity and secondary structure in oligosaccharides--essential for the success of similar studies on larger oligosaccharides in the future.
authors.affiliation: Physical and Theoretical Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QZ, United Kingdom.
authors.forename: Pierre
authors.initials: P
authors.lastname: Carçabal
authors.forename: Isabel
authors.initials: I
authors.lastname: Hünig
authors.forename: David P
authors.initials: DP
authors.lastname: Gamblin
authors.forename: Bo
authors.initials: B
authors.lastname: Liu
authors.forename: Rebecca A
authors.initials: RA
authors.lastname: Jockusch
authors.forename: Romano T
authors.initials: RT
authors.lastname: Kroemer
authors.forename: Lavina C
authors.initials: LC
authors.lastname: Snoek
authors.forename: Anthony J
authors.initials: AJ
authors.lastname: Fairbanks
authors.forename: Benjamin G
authors.initials: BG
authors.lastname: Davis
authors.forename: John P
authors.initials: JP
authors.lastname: Simons
mesh_terms: D002236:Carbohydrate Conformation; D002240:Carbohydrate Sequence; D005740:Gases; D008362:Mannosides / Q000737:chemistry*; D008958:Models, Molecular; D008969:Molecular Sequence Data; D011134:Polysaccharides / Q000737:chemistry*; D013055:Spectrophotometry, Infrared; D013056:Spectrophotometry, Ultraviolet
chemical_list: D005740:Gases; D008362:Mannosides; D011134:Polysaccharides