resumo
Partition ratios of 10 L-amino acids with non-polar side chains (Gly, Ala, Val, nor-Val, Ile, Leu, nor-Leu, Phe, Trp and Pro) were measured in ten different polymer/polymer aqueous two-phase systems (ATPS) 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 aqueous environment for the compounds examined were determined by the multiple linear regression analysis using the modified linear solvation energy relationship equation. It is shown that linear combinations of these coefficients are correlated with the amino acid lipophilicity/hydrophobicity scales reported in the literature. The results obtained imply that the solute-specific coefficients may be used as solute descriptors for quantitative structure-property relationship (QSPR) analysis. (C) 2012 Elsevier B.V. All rights reserved.
palavras-chave
SOLVATOCHROMIC COMPARISON METHOD; PI-STAR; SCALE; PEPTIDES; HYDROPHILICITY/HYDROPHOBICITY; COEFFICIENTS; ALPHA; BETA
categoria
Biochemistry & Molecular Biology; Chemistry
autores
Madeira, PP; Bessa, A; Alvares-Ribeiro, L; Aires-Barros, MR; Rodrigues, AE; Zaslavsky, BY
nossos autores
Pedro António Palma Madeira
Investigador Júnioragradecimentos
Financial support for this work was in part provided by National Research Grant PTDC/EQU-EQU/112812/2009 for which the authors are thankful. A. Bessa acknowledges the scholarship within the Project PTDC/EQU-EQU/112812/2009 from Fundacao para a Ciencia e a Tecnologia (FCT). P.P. Madeira acknowledges the financial support (Grant SFRH/BPD/45055/2008) from FCT.