Determination of the 13C chemical-shift tensors in a single crystal of methyl α-d-glucopyranoside.

Sastry, D.L.; Takegoshi, K.; McDowell, C. A.

doi:10.1016/0008-6215(87)80096-4

Cited by 21 publications

(22 citation statements)

References 27 publications

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“…Similar effects were also observed for methyl a-d-glucopyranoside [31], glycosylated a-tocopherols [32], galacturonic acid [16,17] and its methylated derivatives [17]. Such differences probably result from the differences in the H-bond patterns in the solution and solid state.…”

Section: Solid-state Nmr Studies Of Cellobiose Motionssupporting

confidence: 72%

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Molecular Dynamics of Polycrystalline Cellobiose Studied by Solid-State NMR

Tang

Belton

2002

Solid State Nuclear Magnetic Resonance

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Section: Solid-state Nmr Studies Of Cellobiose Motionssupporting

confidence: 72%

“…state, (2) inter-and intra-molecular interactions such as hydrogen bonding patterns and (3) crystal packing [16,31].…”

Section: Solid-state Nmr Studies Of Cellobiose Motionsmentioning

confidence: 99%

Molecular Dynamics of Polycrystalline Cellobiose Studied by Solid-State NMR

Tang

Belton

2002

Solid State Nuclear Magnetic Resonance

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“…It is particularly interesting to note that, at room temperature, the absolute values for Z| for all the ring carbons in methyl a-D-galactopyranose are 27-34 ppm 19 and those in methyl a-Dglucopyranose are 28-32 ppm. 19,20 Our data for the ring carbons at 303 K (29-41 ppm) are comparable within the margin of error. The breadth of CSA powder pattern, | 33 − | 11 , for ring carbons (36-54 ppm) in GA is also broadly comparable with the data for methyl a-D-galactopyranose (33-44 ppm).…”

supporting

confidence: 56%

“…All the non-hydrogen atoms were refined with anisotropic thermal parameters. At the conclusion of the refinement, wR 2 (20). We were there-fore unable to distinguish the absolute configuration from the refinement; the D configuration results are assumed knowing that our sample has been prepared from a natural pectin sample which consists of galacturonic acid having only the D configuration and that the manufacturer's reported optical rotation measurements are in agreement with the D configuration.…”

Section: Methodsmentioning

confidence: 97%

Solid state NMR and X-ray diffraction studies of α-d-galacturonic acid monohydrate

Tang

Belton

Davies

et al. 2001

Carbohydrate Research

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Crystalline a-D-galacturonic acid monohydrate has been studied by 13 C CPMAS NMR and X-ray crystallography. The molecular dynamics were investigated by evaluating 13 C spin-lattice relaxation in the rotating frame (T 1r ) and chemical-shift-anisotropy properties of each carbon. Only limited molecular motions can be detected in the low frequency (B 10 4 Hz) range by 13 C relaxation time measurements (T 1r ) and changes of chemical shift anisotropy properties as a function of temperature. X-ray analysis (at both ambient temperature and 150 K) shows that the acid has the usual chair-shaped, pyranose ring conformation, and that the acid and water molecules are linked, through all their O H groups, in an extensively hydrogen-bonded lattice.

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“…The only carbohydrate to which it has been applied, see Fig. 3, is methyl a-o-glucopyranoside (Sastry, Takegoshi & McDowell, 1987). The combination of X-ray or neutron crystallography with NMR spectroscopy is a promising future area of crystallographic research (cf.…”

Section: Introductionmentioning

confidence: 99%

Crystallographic studies of carbohydrates

Jeffrey¹

1990

Acta Crystallogr B Struct Sci

150

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The monosaccharides which constitute the monomer units of many important industrial and biological macromolecules are well represented among the 2000 crystal structures of the carbohydrate class 45 of the Cambridge Structural Database. There are few examples of crystal structure analyses of the corresponding acids, but many of their calcium salts and calcium salt complexes. With the exception of the disaccharides and cyclodextrins, the oligosaccharides are not well represented, with less than ten trisaccharides, one tetrasaccharide and one hexasaccharide-iodide complex. Two important conformational factors are the Hassel-Ottar effect and the anomeric effect, both of which have been studied using crystallographic data. Hydrogen bonding is ubiquitous in carbohydrate crystals and generally involves all the hydroxyls as both donors and acceptors, and some of the ring and glycosidic oxygens as acceptors. These hydrogen bonds tend to form finite or infinite chains. In hydrates, these chains are linked through the water molecules to form networks. Cyclic hydrogen-bond systems are observed in the cyclodextrins. Long-chain alkylated carbohydrates provide a large class of thermotropic and lyotropic liquid crystals, and some non-ionic surfactants which have been shown to be useful for membrane-protein solubilization and crystallization.

show abstract

Determination of the 13C chemical-shift tensors in a single crystal of methyl α-d-glucopyranoside.

Cited by 21 publications

References 27 publications

Molecular Dynamics of Polycrystalline Cellobiose Studied by Solid-State NMR

Molecular Dynamics of Polycrystalline Cellobiose Studied by Solid-State NMR

Solid state NMR and X-ray diffraction studies of α-d-galacturonic acid monohydrate

Crystallographic studies of carbohydrates

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