Journal ArticleDOI
Structural analysis of methyl α-l-fucopyranoside by X-ray crystallography, NMR spectroscopy, and molecular mechanics calculations
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TLDR
The crystal and molecular structures of methyl α-l -fucopyranoside were reported in this paper, and the conformation of the pyranose ring in solution was very similar to that in the crystal.About:
This article is published in Carbohydrate Research.The article was published on 1993-05-07. It has received 17 citations till now. The article focuses on the topics: Nuclear magnetic resonance crystallography & Pyranose.read more
Citations
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Journal ArticleDOI
The Hexopyranosyl Residue That Is C-Glycosidically Linked to the Side Chain of Tryptophan-7 in Human RNase Us Is .alpha.-Mannopyranose
TL;DR: The vicinal proton-proton coupling constants and rotating-frame nuclear Overhauser enhancements demonstrate that the C-linked substituent is alpha-mannopyranose, and the nuclear magnetic resonance (NMR) data indicate that the mannopyrAnose moiety in a glycopeptide derived from RNase U(s) adopts several conformations on the NMR time scale.
Journal ArticleDOI
Differentiation of the fucoidan sulfated L-fucose isomers constituents by CE-ESIMS and molecular modeling.
TL;DR: It is shown that it is possible to differentiate between these three positional isomers of sulfated fucose based on their fragmentation pattern upon MS/MS experiments, and an understanding of the fragmentation pattern with respect to the position of the sulfate group is provided.
Journal ArticleDOI
Ab initio and density functional study of the conformational space of 1C4 α‐L‐fucose
TL;DR: In this article, the conformational space of 1 C a-L-fucose was searched by the MM2*-SUMM 4 molecular mechanics conformational search technique, and the first 17 structures of lowest energy were analyzed at the HFr3)21G,.. 6 )31G d, and generalized gradient approximation GGA DFT levels of theory.
Journal ArticleDOI
Spectral signatures and structural motifs in isolated and hydrated monosaccharides: phenyl α- and β-L-fucopyranoside
Pierre Çarçabal,Theodosis Patsias,Isabel Hünig,Bo Liu,Cristina Kaposta,Lavina C. Snoek,David P. Gamblin,Benjamin G. Davis,Jack Simons +8 more
TL;DR: In this paper, the conformation and structure of single-photon ionization (R2PI) and ultraviolet and infrared ion-dip spectroscopy (IRI-IoD) spectra of free and hydrated α- and β-phFuc, and their singly hydrated complexes (α,β-PhFuc·H2O) isolated in a molecular beam, have been investigated by means of resonant two photon ionization spectrograms.
Journal ArticleDOI
Theoretical Study of Alternative Ring Forms of α-l-Fucopyranose
TL;DR: In this article, the MM2*-LMOD (low mode) conformational search technique built into the Macromodel program was used for α-l-fucopyranose ring puckering.
References
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Journal ArticleDOI
General definition of ring puckering coordinates
Dieter Cremer,John A. Pople +1 more
TL;DR: In this article, a unique mean plane is defined for a general monocyclic puckered ring, which is described by amplitude and phase coordinates which are generalizations of those introduced for cyclopentane by Kilpatrick, Pitzer, and Spitzer.
Journal ArticleDOI
The relationship between proton-proton NMR coupling constants and substituent electronegativities—I : An empirical generalization of the karplus equation
TL;DR: In this paper, a new coupling constant-torsion angle relation for the three-bond 1H-1H spin-spin coupling constant is formulated, which includes a correction for the electronegativity of substituents.
Journal ArticleDOI
Parst: A system of fortran routines for calculating molecular structure parameters from results of crystal structure analyses
TL;DR: Given a set of atomic positional and thermal parameters in a crystal defined by the unit cell constants and the space group symmetry operations, the estimated standard deviations of the derived quantities are calculated from the e.s.d.'s of the atomic parameters and unit cell constant.
Book ChapterDOI
Chemistry and Biochemistry of d- and l-Fucose
TL;DR: This chapter discusses the various aspects of the chemistry of fucoses, especially the developments made in this field, and explains their metabolism and biochemistry while pointing out the possible biological functions and medical applications of fucaoses and their compounds.