α-d-Glucose: further refinement based on neutron-diffraction data

No abstract is available for this paper.

• Publication year

  1979

• Venue

  Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry

• Publication date

  1979-03-15

• Fields of study

  Chemistry

• Identifiers
  DOI 10.1107/S0567740879004374
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar

• No claims are published for this paper.

• No concepts are published for this paper.

• No references are available for this paper.

• Electronic and topological analyses of C–O bonds in carbohydrates and lignin-carbohydrate complexes: An atomistic understanding of refractory molecules in agro-industrial waste

  2024cites this paper
• First principles study of structural, electronic and mechanical properties of crystalline glucose under pressure

  2023cites this paper
• Why Is α-d-Glucose Monomorphic? Insights from Accurate Experimental Charge Density at 90 K

  2022cites this paper
• A combined solid-state NMR and quantum chemical calculation study of hydrogen bonding in two forms of α-d-glucose.

  2022cites this paper
• Investigation of the vibrational density of states of sodium carboxymethyl starch glass via terahertz time-domain spectroscopy.

  2021cites this paper
• Predictive physical study of two different crystalline forms of glucose

  2021cites this paper
• Combining Computational Chemistry and Crystallography for a Better Understanding of the Structure of Cellulose.

  2021cites this paper
• Short-Distance Intermolecular Correlations of Mono- and Disaccharides in Condensed Solutions: Bulky Character of Trehalose

  2020cites this paper
• Surface Characterization of Powdered Cellulose Activated by Potassium Hydroxide in Dry Condition Through Ball Milling

  2020cites this paper
• Sugar-metal ion interaction: Crystal structure and spectroscopic study of potassium chloride complex with d-glucose, KCl·2C6H12O6

  2020cites this paper
• A Study of the Terahertz Spectra of Crystalline Materials (Polyethylene, Poly(Vinylidene Fluoride) form II, and α-D-Glucose) Using NDDO Semiempirical Methods

  2018cites this paper
• Terahertz and infrared characteristic absorption spectra of aqueous glucose and fructose solutions

  2018cites this paper
• Boson peak dynamics of natural polymer starch investigated by terahertz time-domain spectroscopy and low-frequency Raman scattering.

  2018cites this paper
• Accuracy in Rietveld quantitative phase analysis: a comparative study of strictly monochromatic Mo and Cu radiations

  2016influential citation
• Interactions of alkali- and alkaline earth-halides with carbohydrates in the crystalline state – the overlooked salt and sugar cocrystals

  2016cites this paper
• Terahertz spectral investigation of anhydrous and monohydrated glucose using terahertz spectroscopy and solid-state theory

  2014cites this paper
• A short & sweet story of CHO

  2014cites this paper
• DFT optimization and DFT-MD studies of glucose, ten explicit water molecules enclosed by an implicit solvent, COSMO

  2014cites this paper
• Transformable H-bonds and conformation in compressed glucose

  2014cites this paper
• 1. CrystalOptimizer: An Efficient Algorithm for Lattice Energy Minimization of Organic Crystals Using Isolated-Molecule Quantum Mechanical Calculations

  2014cites this paper
• Sucrose/Glucose molecular alloys by cryomilling.

  2014cites this paper
• Sodium ion interactions with aqueous glucose: insights from quantum mechanics, molecular dynamics, and experiment.

  2013cites this paper
• Terahertz Time Domain Spectroscopy for the Identification of Two Cellulosic Fibers with Similar Chemical Composition

  2013cites this paper
• Detecting low-level flexibility using residual dipolar couplings: a study of the conformation of cellobiose.

  2013cites this paper
• Combining computational chemistry and crystallography for a better understanding of the structure of cellulose.

  2012cites this paper
• Application of terahertz spectroscopy and molecular modeling in isomers investigation: Glucose and fructose

  2012cites this paper
• Low-energy electron-induced reactions in thin films of glucose and N-acetyl-glucosamine

  2011cites this paper
• Measurement and calculation of 13C chemical shift tensors in α-glucose and α-glucose monohydrate

  2011cites this paper
• Vibrational spectra of α-glucose, β-glucose, and sucrose: anharmonic calculations and experiment.

  2011cites this paper
• CrystalOptimizer: An Efficient Algorithm for Lattice Energy Minimization of Organic Crystals Using Isolated‐Molecule Quantum Mechanical Calculations

  2011cites this paper
• Effective fragment potential study of the influence of hydration on the vibrational spectrum of glucose.

  2011cites this paper
• Efficient Handling of Molecular Flexibility in Lattice Energy Minimization of Organic Crystals.

  2011cites this paper
• Vitrification à l’état solide du glucose et maîtrise de la mutarotation

  2009cites this paper
• GLYCAM06: A generalizable biomolecular force field. Carbohydrates

  2008cites this paper
• Measurement of 1H-1H residual dipolar coupling constants for structural studies of medium size molecules.

  2007cites this paper
• Theoretical and experimental studies on methyl α-d-glucopyranoside derivatives

  2007cites this paper
• Chemical Recognition With Broadband THz Spectroscopy

  2007cites this paper
• Structure of amorphous NaCl-glucose system studied by X-ray diffraction and IR methods

  2007cites this paper
• Octa-O-propanoyl-beta-maltose: crystal structure, acyl stacking, related structures, and conformational analysis.

  2007cites this paper
• Neutron diffraction and simulation studies of the exocyclic hydroxymethyl conformation of glucose.

  2006cites this paper
• Incorporation of carbohydrates into macromolecular force fields : Development and validation

  2006cites this paper
• Manifestation of stereoelectronic effects on the calculated carbon–nucleophile bond lengths in nucleophilic addition to sterically unbiased ketones

  2006cites this paper
• Radiation-induced radicals in alpha-D-glucose: Comparing DFT cluster calculations with magnetic resonance experiments.

  2006cites this paper
• Theoretical DFT study on glucose-6-phosphate

  2005cites this paper
• Aspects of glycosidic bond formation in aqueous solution: chemical bonding and the role of water.

  2005cites this paper
• DFT-EPR study of radiation-induced radicals in α-D-glucose

  2004cites this paper
• Melting behaviour of D-sucrose, D-glucose and D-fructose.

  2004cites this paper
• Vacuum-ultraviolet circular dichroism study of saccharides by synchrotron radiation spectrophotometry.

  2004cites this paper
• Molecular conformations at the cellulose–water interface

  2004cites this paper
• Noncovalent intermolecular forces in polycrystalline and amorphous saccharides in the far infrared

  2003cites this paper
• The competition between hydrogen bonding and chemical change in carbohydrate nanoparticles

  2002cites this paper
• Ab initio conformational space study of model compounds of O-glycosides of serine diamide.

  2002cites this paper
• Conformational features of crystal-surface cellulose from higher plants.

  2002cites this paper
• Modeling of deoxy- and dideoxyaldohexopyranosyl ring puckering with MM3(92).

  2001cites this paper
• Water structuring properties of carbohydrates, molecular dynamics studies on 1,5-anhydro-D-fructose

  2001cites this paper
• Solvent interactions determine carbohydrate conformation

  2001cites this paper
• Investigation of stretching vibrations of glycosidic linkages in disaccharides and polysaccharides with use of IR spectra deconvolution.

  2000cites this paper
• Semiempirical Pm3 Quantum Mechanics Calculations of Carbohydrate Crystals

  1999cites this paper
• Atomic levers control pyranose ring conformations.

  1999cites this paper
• Factors controlling relative stability of anomers and hydroxymethyl conformers of glucopyranose

  1998cites this paper
• Polysaccharide elasticity governed by chair–boat transitions of the glucopyranose ring

  1998cites this paper
• A carbohydrate force field for amber and its application to the study of saccharide to surface adsorption

  1997cites this paper
• A neutron scattering study of the structure of amorphous glucose

  1997cites this paper
• Molecular force field development for saccharides using the SPASIBA spectroscopic potential. Force field parameters for α-d-glucose

  1997cites this paper
• The Consistent Force Field. 5. PEF95SAC: Optimized potential energy function for alcohols and carbohydrates

  1997cites this paper
• Synthesis of 2-(α-d-glucopyranosyl)benzoic acid by an intramolecular Friedel—Crafts reaction

  1996cites this paper
• Controlling Substrate Preference and Transglycosylation Activity of Neopullulanase by Manipulating Steric Constraint and Hydrophobicity in Active Center*

  1996cites this paper
• Angular dependence of vicinal carbon-proton coupling constants for conformational studies of the hydroxymethyl group in carbohydrates

  1995cites this paper
• Vibrational spectra and stereochemistry of mono- and polysaccharides

  1995cites this paper
• Vibrational spectra and stereochemistry of mono-and polysaccharides. II. α-anomers of D-glucose and D-galactose. Glucitol and galactitol

  1995cites this paper
• P130 a molecular modelling study on host-guest complex formation in modified cyclodextrins

  1994cites this paper
• A Nuclear magnetic resonance investigation of proton dynamics in α-D-glucose

  1994cites this paper
• A force field for monosaccharides and (1 → 4) linked polysaccharides

  1994cites this paper
• X-Ray crystallographic analysis of 2,6-anhydro-N-methyl-D-glycero-D-ido-heptonamide: the first example of a simple glucose analogue with a skew boat structure

  1993cites this paper
• A Revised MM2 Force Field for the Normal Mode Vibrational Analysis of Glucopyranose

  1993cites this paper
• Comparison of two force fields by molecular dynamics simulations of glucose crystals: Effect of using ewald sums

  1993cites this paper
• Vibrational molecular force field of model compounds with biologic interest. II. Harmonic dynamics of both anomers of glucose in the crystalline state

  1993cites this paper
• Miniature crystal models of cellulose polymorphs and other carbohydrates.

  1993cites this paper
• Synthesis and NMR and conformational studies of the four anomeric methyl glycosides of the trisaccharide D-Glcp-(1→2)-D-Glcp-(1→3)-α-D-Glcp

  1991cites this paper
• Absolute configuration of epi-rhododendrin and (–)-rhododendrol [=(–)-betuligenol] and X-ray crystal and molecular structure of rhododendrin [= betuloside], a hepatoprotective constituent of Taxus baccata

  1991cites this paper
• Application of coupled oscillator theory to conformational analysis of glycosides with aromatic groups

  1990cites this paper
• Synthesis of and nuclear magnetic resonance and conformational studies on some 1,2-linked disaccharide methyl glycosides containing D-mannose and L-rhamnose

  1990cites this paper
• Hydrogen bonds in carbohydrates

  1990cites this paper
• Molecular modelling of saccharide-lipid interactions

  1990cites this paper
• Synthesis, NMR and conformational studies of some 1,4- linked disaccharides

  1990cites this paper
• The conformation of core oligosaccharides from Escherichia coli and Salmonella typhimurium lipopolysaccharides as predicted by semi‐empirical calculations

  1989cites this paper
• Interaction of D-glucose with alkaline-earth metal ions. Synthesis, spectroscopic, and structural characterization of Mg(II)- and Ca(II)-D-glucose adducts and the effect of metal-ion binding on anomeric configuration of the sugar.

  1988cites this paper
• D-glucose interaction with uranium ion. Synthesis, spectroscopic and structural characterization of uranylglucose adducts and the effect of metal cation binding on the sugar anomeric structures

  1988cites this paper
• Molecular dynamics simulations of β-d-glucopyranose

  1987cites this paper
• Pyridoxal phosphate site in glycogen phosphorylase b: structure in native enzyme and in three derivatives with modified cofactors.

  1987cites this paper
• High-resolution solid-state NMR of carbon bonded to deuterium

  1987cites this paper
• Vibrational spectra of carbohydrates.

  1986cites this paper
• The crystal structure of D-glucose 6-(sodium hydrogen-phosphate)

  1985cites this paper
• Bibliography of crystal structures of carbohydrates, nucleosides, and nucleotides for 1979 and 1980; addenda and errata for 1970-1978; and index for 1935-1980.

  1985cites this paper
• Conformation of 1,2-O-(S)-(1-aminomethylethylidene)-α-d-glucopyranose and 1,2-O-(R)-(1-tert-butoxyethylidene)-α-d-glucopyranose

  1985cites this paper
• Low-temperature IR spectrum of α—-D-glucose and of its deuterated analog

  1984cites this paper
• Complete Solid State 13C NMR Chemical Shift Assignments for α-D-Glucose, α-D-Glucose-H2O and β-D-Glucose

  1984cites this paper
• Conformations in Solution of α,α-Trehalose, α-d-Glucopyranosyl α-d-Mannopyranoside, and Their 1-Thioglycosyl Analogs, and a Tentative Correlation of Their Behaviour with Respect to the Enzyme Trehalase

  1983cites this paper
• Theoretical analysis of hydrogen bonds in carbohydrate crystals

  1983cites this paper
• The conformational analysis of oligosaccharides by H-NMR and HSEA calculation.

  1983cites this paper