Integral equation and ab initio study of the effect of solvation on anomeric equilibria in aqueous solution: application to 4,6-dimethyl-2-methoxytetrahydropyran
Article Abstract:
The structure and energetics of the axial and equatorial anomers of 4,6-dimethyl-2-methoxytetrahydropyran in aqueous solutions and the preferential solvation of the equatorial form were investigated using several models. Results revealed that both quantum mechanical and continuum models can successfully predict the preferential solvation, but not the differential solvation. The classical reference interaction site model was found to successfully predict the differential solvation.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 1998
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Absorption and fluorescence of tyrosine hydrogen-bonded to amide-like ligands
Article Abstract:
The absorption and steady-state fluorescence of N-acetyl-L-tyrosinamide was investigated in four solvents in the presence of N,N-dimethylacetamide, N-methylacetamide and urea. The data were fit to a multilinear model to resolve the overlapping spectra of N-acetyl-L-tyrosinamide with and without ligand. Experimental results showed the lack of a strong dependence of binding constant on N-methylation, indicating that the carbonyl oxygen induces hydrogen bonding.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 1998
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Two-dimensional Fourier transform near-infrared spectroscopy study of heat denaturation of ovalbumin in aqueous solutions
Article Abstract:
A study was conducted to analyze heat-induced denaturation of ovalbumin in aqueous solutions by generalized two-dimensional Fourier transform near-infrared correlation spectroscopy. The protein was dissolved in doubly distilled water to prepare ovalbumin solutions supporting a concentration of 2%. 5% and 8%. Experimental results indicated that the amide groups of ovalbumin were stabilized by hydrogen bonds to water under aqueous conditions.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 1998
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