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J Biomol Struct Dyn. 2014;32(6):959-68. doi: 10.1080/07391102.2013.800994. Epub 2013 Jun 19.

Amino acid/water interactions study: a new amino acid scale.

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a Laboratory of Separation and Reaction Engineering, Departamento de Engenharia Química , Faculdade de Engenharia da Universidade do Porto , Rua Dr. Roberto Frias, Porto , s/n 4200-465 , Portugal .


Partition ratios of 8 free l-amino acids (Gln, Glu, His, Lys, Met, Ser, Thr, and Tyr) were measured in 10 different polymer/polymer aqueous two-phase systems containing 0.15 M NaCl in 0.01 M phosphate buffer, pH 7.4. The solute-specific coefficients representing the solute dipole/dipole, hydrogen-bonding and electrostatic interactions with the aqueous environment of the amino acids were determined by multiple linear regression analysis using a modified linear solvation energy relationship. The solute-specific coefficients determined in this study together with the solute-specific coefficients reported previously for amino acids with non-polar side-chains where used in a Quantitative Structure/Property Relationship analysis. It is shown that linear combinations of these solute-specific coefficients are correlated well with various physicochemical, structural, and biological properties of amino acids.

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