Departament de Química Analítica and Institut de Biomedicina, Universitat de Barcelona, E-08028 Barcelona, Spain.
Anal Chem. 2009 Nov 1;81(21):9135-45. doi: 10.1021/ac901723y.
A three-parameter expression, which was already employed before for the prediction of the retention time in gradient mode in reversed-phase high-performance liquid chromatography (RP-HPLC) with satisfactory results, has been tested here under a variety of gradient patterns, using methanol and acetonitrile as the organic modifiers. A wide variety of compounds have been employed as test solutes, including some complex ones used as drugs, such as hydrocortisone and estriol. Simplifications of this expression have been made by considering two- and one-parameter expressions based on the p polarity parameter model, which was successfully employed before in isocratic mode to perform predictions of retention time. The advantages that this model gives in isocratic conditions, namely simplicity and less previous experimental work, have been applied with profit in its application to gradient mode. Good correlations between the experimental retention times and the predicted ones have been obtained with both equations in most cases.
一个三参数表达式，之前已经在反相高效液相色谱（RP-HPLC）中梯度模式的保留时间预测中得到了满意的结果，在此基础上，使用甲醇和乙腈作为有机改性剂，在各种梯度模式下进行了测试。使用了多种化合物作为测试溶质，包括一些用作药物的复杂化合物，如氢化可的松和雌三醇。通过考虑基于 p 极性参数模型的两参数和一参数表达式，对该表达式进行了简化，该模型之前在等度模式下成功地用于保留时间的预测。该模型在等度条件下的优点，即简单性和较少的前期实验工作，在其应用于梯度模式时得到了有益的应用。在大多数情况下，这两个方程都能很好地将实验保留时间与预测保留时间相关联。
