Vibrational spectra of carbohydrates

M Mathlouthi, JL Koenig - Advances in carbohydrate chemistry and …, 1987 - Elsevier
Publisher Summary This chapter describes the various aspects of the vibrational spectra of
carbohydrates. Vibrational spectroscopy is one of the techniques most adapted techniques …

Structure, conformation, and dynamics of bioactive oligosaccharides: theoretical approaches and experimental validations

A Imberty, S Pérez - Chemical reviews, 2000 - ACS Publications
In nature, carbohydrates form an important family of biomolecules, as simple or complex
carbohydrates, either alone or covalently linked to proteins or lipids. Most of the earlier …

Anomeric and exo-anomeric effects in carbohydrate chemistry

I Tvaroŝka, T Bleha - Advances in carbohydrate chemistry and biochemistry, 1989 - Elsevier
Publisher Summary This chapter discusses the several possibilities regarding the
specification of the energy associated with the anomeric effect, and the experimental data …

Quantum chemical conformational analysis of glucose in aqueous solution

CJ Cramer, DG Truhlar - Journal of the American Chemical …, 1993 - ACS Publications
We have calculated the aqueous solvation effects on the anomeric and conformational
equilibria of D-glucopyranose using a quantum chemical solvation model based on a …

The origin of the anomeric effect: conformational analysis of 2-methoxy-1, 3-dimethylhexahydropyrimidine

CL Perrin, KB Armstrong… - Journal of the American …, 1994 - ACS Publications
The anomeric effect is thought to be the result of either molecular orbital interactions, which
stabilize the axial conformer, or electrostatic interactions, which destabilize the equatorial …

Carbohydrate–protein interactions: Molecular modeling insights

S Perez, I Tvaroška - Advances in carbohydrate chemistry and biochemistry, 2014 - Elsevier
The article reviews the significant contributions to, and the present status of, applications of
computational methods for the characterization and prediction of protein–carbohydrate …

Solvent effect on the anomeric equilibrium in D-glucose: a free energy simulation analysis

S Ha, J Gao, B Tidor, JW Brady… - Journal of the American …, 1991 - ACS Publications
Nutation NMR was used to confirm the structure of a l3C doubly labeled cyclopolymer. A
labeling experiment used to give information regarding the reaction mechanismfor a …

The principle of least nuclear motion and the theory of stereoelectronic control

ML Sinnott - Advances in physical organic chemistry, 1988 - Elsevier
Publisher Summary This chapter discusses that the picture of an antiperiplanar lone pair of
electrons driving off a leaving group had occurred intermittently in the literature at least as …

Exo-anomeric effects on energies and geometries of different conformations of glucose and related systems in the gas phase and aqueous solution

CJ Cramer, DG Truhlar, AD French - Carbohydrate research, 1997 - Elsevier
Ab initio calculations predict that in 2-hydroxy-and 2-methoxytetrahydropyran,
hyperconjugative delocalization of lone-pair density on the exocyclic oxygen atom at C-1 …

Comparative flexibility, extension, and conformation of some simple polysaccharide chains

BA Burton, DA Brant - Biopolymers: Original Research on …, 1983 - Wiley Online Library
Realistic polymer chain models are developed for several polysaccharides to illustrate,
using perspective drawings of representative chain conformations, the wide range of …