Theoretical study of the effect of water in the process of proton transfer of glycinamide

Article Abstract:

A study of structural interconversion of the two tautomers and the relative stabilizing influences of water during the tautomerization process in order to investigate the tautomerism from glycinamide (G) to glycinamidic (G*) induced by proton transfer. The calculation results indicate that water in two regions can protect G from tautomerizing to G*, while in another region, water can assist in the tautomerism.

Water chemistry, Amides

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Advantages and limitations of the use of an extended polyelectrolyte model to describe the proton-binding process in macromolecular systems. Application to a poly(acrylic acid) and a humic acid

Article Abstract:

The theoretical basis of an extension of the polyelectrolyte model is described which removes the limitations of the suitability of the polyelectrolyte model. The result shows the suitability of extended polyelectrolyte model to describe proton-binding process in complex molecular systems.

All Other Miscellaneous Chemical Product and Preparation Manufacturing, Chemical preparations, not elsewhere classified, Polyelectrolytes, Models, Humic acid, Humic acids

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The effect of pressure on the excited-state intramolecular proton transfer of polyhydroxyflavone

Article Abstract:

The effects of pressure on the excited-state intramolecular proton transfer (ESIPT) of three polyhydroxyflavones in PMMA, PVAc, CAC, and PAA is discussed. The results indicate that pressure greatly suppresses formation of the phototautomer.

Flavonoids, Flavones, Bioflavonoids

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