Chlorine-35/37 NMR spectroscopy of solid amino acid hydrochlorides: Refinement of hydrogen-bonded proton positions using experiment and theory

Article Abstract:

Solid-state chlorine-35/37 NMR for L-tryptophan hydrochloride and DL-arginine hydrochloride monohydrate have helped in understanding the trends in the spans of the chlorine chemical shift tensors in amino acid hydrochlorides. The inference indicates the application of chlorine NMR interaction tensors in the refinement of proton positions in structurally similar compounds like chlorine ion channels, for which neutron diffraction data is not available.

Nuclear magnetic resonance spectroscopy, Hydrogen chloride

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Effects of hydrogen-bonding and stacking interactions with amino acids on the acidity of uracil

Article Abstract:

The density functional theory is employed to study and explain the various effects of the hydrogen-bonding and stacking interactions with amino acids on the acidity of uracil, which depends on the nature of amino acid and binding orientation. The results show that such interactions decrease the gas-phase acidity of uracil, which also varies with the nature of the molecule bound, as well as the binding orientations and strengths.

Uracil

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A kinetic and thermodynamic study of the glycosidic bond cleavage in deoxyuridine

Article Abstract:

Density functional theory calculations are used to study the thermodynamics and kinetics for the glycosidic bond cleavage in deoxyuridine. The results have shown that the nature of the nucleophile plays a major role in reducing the barrier to glycosidic bond cleavage than the nature of the small molecule bound.

Science & research, Research, Analysis, Deoxyribonucleotides, Deoxynucleotides, Glycosidic bonds

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