Lebrón-Aguilar Rosa, Quintanilla-López Jesús Eduardo, Tello Ana María, Santiuste José María
Department of Structure and Molecular Dynamics, Institute of Physical Chemistry Rocasolano (CSIC), Serrano 119, 28006 Madrid, Spain.
J Chromatogr A. 2007 Aug 10;1160(1-2):276-88. doi: 10.1016/j.chroma.2007.05.025. Epub 2007 May 16.
Isothermal retention indices (I) of 56 solutes of varied chemical nature and polarity were determined by a well-proven accurate method on poly(3,3,3-trifluoropropylmethylsiloxanes) with trifluoropropyl group percentages between 0 and 50% within the 353-413 K temperature range. The column temperature effect on the retention index for a representative set of solutes was studied. The linear model and the recent expression I = a + bT(-1) + c ln T were discussed. The retention index dependence on the polymer polarity was also investigated. Principal component analysis and multiple linear regression (MLR) were applied to obtain retention models relating the I values to physicochemical and molecular properties of the solutes chromatographed. The best model of prediction of the retention in these fluorinated stationary phases was obtained by using the Abraham's descriptors.
在353 - 413K温度范围内，采用一种经过充分验证的精确方法，测定了56种化学性质和极性各异的溶质在三氟丙基含量在0%至50%之间的聚（3,3,3 - 三氟丙基甲基硅氧烷）上的等温保留指数（I）。研究了柱温对一组代表性溶质保留指数的影响。讨论了线性模型和最近的表达式I = a + bT⁻¹ + c ln T。还研究了保留指数对聚合物极性的依赖性。应用主成分分析和多元线性回归（MLR）来获得将I值与所色谱分离溶质的物理化学和分子性质相关联的保留模型。通过使用亚伯拉罕描述符获得了这些氟化固定相上保留预测的最佳模型。
