Abstract

Quantitative structure-property relationship (QSPR) correlations have been widely applied in biological active solutes over several decades. Many new descriptors (parameters) have been developed. Of the many parameters reported in literature, it is argued that the volume (constitutional, geometrical, compressibility) properties play an important role in determining the overall state of proteins consisting of the various amino acids residuals. On basis of experimental data on density, viscosity and ultrasound velocity for aqueous solutions of amino acids, the volume effects in characteristics of impulse transfer and ultrasound wave were studied. The analysis on the correlations between molar parameters of viscosity and ultrasound velocity and molar volume for aqueous solutions of glycine, alanine, aminobutanoic acid, valine, leucine and serine has been carried. It was shown, that the temperature and the concentration dependences of viscosity and ultrasound velocity in the aqueous amino acids solutions may be represented using the molar approach of Krestov-Afanas`ev. An evaluation of the degree of correspondence of the correlation dependences to the experimental data was performed with the minimum distribution dispersion (SD), which was also called the sample standard deviation for regression, and the correlation coefficient (rcorr). It was shown that on basis of the correlations obtained, the densities or the molar volumes can be successfully used for the estimation of unknown values of the viscosities and sound speeds for the amino acid solutions.

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