Gil-Agustí Mayte, Esteve-Romero Josep, Abraham Michael H
Area de Química Analítica, CCEE, ESTCE, Universitat Jaume I, Campus Riu Sec, 12080 Castelló, Spain.
J Chromatogr A. 2006 Jun 2;1117(1):47-55. doi: 10.1016/j.chroma.2006.03.046. Epub 2006 Apr 25.
The solvation parameter model has been applied to the characterization of hybrid micellar chromatographic systems with mixtures of sodium dodecyl sulfate (SDS) and pentanol as mobile phases. Retention factors for 22 compounds in two groups, phenethylamines and antihistamines, were used for the characterization of the systems after the calculation of their Abraham descriptors. Three equations were developed as multiple linear regressions using Abraham descriptors and properties, such as log Poct and polar surface area to correlate the retention factors. A group of 30 data points was used as an independent test set to assess the predictive capability of the equations. Micellar chromatographic systems were compared against other separation systems using principal components analysis. Conventional RPLC chromatography using mobile phases with high amounts of organic solvents are close to the micellar mobile phases that only use small amounts of alcohol.
溶剂化参数模型已应用于以十二烷基硫酸钠（SDS）和戊醇混合物为流动相的混合胶束色谱系统的表征。在计算了22种化合物（分为苯乙胺类和抗组胺类两组）的亚伯拉罕描述符后，使用它们的保留因子对系统进行表征。利用亚伯拉罕描述符和诸如log Poct和极性表面积等性质，通过多元线性回归建立了三个方程，以关联保留因子。一组30个数据点用作独立测试集，以评估方程的预测能力。使用主成分分析将胶束色谱系统与其他分离系统进行比较。使用含有大量有机溶剂的流动相的传统反相液相色谱（RPLC）与仅使用少量醇的胶束流动相相近。
