title: Amino acid/water interactions study: a new amino acid scale.
abstract: 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.
authors.affiliation: 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 .
authors.forename: Pedro P
authors.initials: PP
authors.lastname: Madeira
authors.forename: Ana
authors.initials: A
authors.lastname: Bessa
authors.forename: Luís
authors.initials: L
authors.lastname: Álvares-Ribeiro
authors.forename: M
authors.initials: M
authors.lastname: Raquel Aires-Barros
authors.forename: Alírio E
authors.initials: AE
authors.lastname: Rodrigues
authors.forename: Vladimir N
authors.initials: VN
authors.lastname: Uversky
authors.forename: Boris Y
authors.initials: BY
authors.lastname: Zaslavsky
mesh_terms: D000596:Amino Acids / Q000737:chemistry*; D003911:Dextrans / Q000737:chemistry; D006860:Hydrogen Bonding; D010710:Phosphates / Q000737:chemistry; D011092:Polyethylene Glycols / Q000737:chemistry; D021281:Quantitative Structure-Activity Relationship; D012044:Regression Analysis; D012965:Sodium Chloride / Q000737:chemistry; D055672:Static Electricity; D013237:Stereoisomerism; D014867:Water / Q000737:chemistry*
chemical_list: D000596:Amino Acids; D003911:Dextrans; D010710:Phosphates; D014867:Water; D011092:Polyethylene Glycols; D012965:Sodium Chloride; C018279:sodium phosphate