Laboratory of Separation and Reaction Engineering, Dpt. de Engenharia Química, Faculdade de Engenharia da Universidade do Porto, Rua Dr. Roberto Frias, s/n 4200-465, Porto, Portugal.
J Chromatogr A. 2013 Jan 25;1274:82-6. doi: 10.1016/j.chroma.2012.11.080. Epub 2012 Dec 7.
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.
非极性侧链（甘氨酸、丙氨酸、缬氨酸、正缬氨酸、异亮氨酸、亮氨酸、正亮氨酸、苯丙氨酸、色氨酸和脯氨酸）的 10 种 L-氨基酸的分配比在含有 0.15 M NaCl 的 10 种不同聚合物/聚合物双水相体系（ATPS）中进行了测量在 0.01 M 磷酸盐缓冲液，pH 值为 7.4。使用改进的线性溶剂化能关系方程的多元线性回归分析，确定了代表化合物与水相环境的偶极-偶极、氢键和静电相互作用的溶质特异性系数。结果表明，这些系数的线性组合与文献中报道的氨基酸亲脂性/疏水性尺度相关。所得结果表明，溶质特异性系数可用作定量结构-性质关系（QSPR）分析的溶质描述符。
