Institut de Chimie Organique et Analytique (ICOA), Université d'Orléans, CNRS UMR 7311 B.P. 6759, rue de Chartres, 45067 Orléans Cedex 2, France.
Institut de Chimie Organique et Analytique (ICOA), Université d'Orléans, CNRS UMR 7311 B.P. 6759, rue de Chartres, 45067 Orléans Cedex 2, France.
J Chromatogr A. 2018 Nov 2;1574:71-81. doi: 10.1016/j.chroma.2018.09.004. Epub 2018 Sep 3.
Many different sorts of bonded phase chemistries may be used in high-performance liquid chromatography (HPLC) in the reversed-phase mode: C8, C18 (type A or B), polar-embedded C18, phenyl, pentafluorophenyl, or cyanopropyl. To assess their retention and selectivity properties, chromatographic tests exist. The data obtained from these tests may be presented in three ways. First, simple classification diagrams may be plotted, when only two or three parameters are studied. Secondly, chemometric treatments such as principal component analyses (PCA) or hierarchical cluster analyses (HCA) may be computed, when at least 4 parameters are studied. These are sometimes uneasy to interpret. Thirdly, the "distance" between one column and a reference column may be estimated, through calculated ranking (F or CDF) or selectivity (s) factors. In this paper, another treatment type is applied to the data of Euerby (Tanaka test) and Snyder (Hydrophobic Subtraction Model), each of these tests having 6 parameters. This treatment produces a visual classification, called spider diagram. In the first part of this series, this type of classification was applied to the classification of solvents. A logical and easily comprehensible classification is obtained for the varied types of bonded phases, with a clear location, which can be related to the chromatographic properties. The comparison of these diagrams shows that the classification based on Snyder's hydrophobic subtraction model discriminates the stationary phases more effectively than the one based on the Tanaka test. Finally, on the basis of the parameter relevance and in order to favour comparison between these two tests and a third one called the carotenoid test, simplified classification maps are proposed. For Tanaka test, the selected parameters are the pentylbenzene retention factor (hydrophobicity), the benzylamine/phenol separation factor at pH 7.6 (polar surface activity) and the triphenylene/ortho-terphenyl (shape selectivity) separation factor. For Snyder test, the parameters selected are the ethylbenzene retention factor (hydrophobicity) the C term at pH 7.0 (polar surface activity) and the S* term (steric electivity). The location of some stationary phases onto the maps and their rankings are compared and shown to agree well between the three tests.
许多不同类型的键合相化学物质可用于反相高效液相色谱（HPLC）：C8、C18（A 型或 B 型）、极性嵌入 C18、苯基、五氟苯基或氰丙基。为了评估它们的保留和选择性特性，存在色谱测试。从这些测试中获得的数据可以以三种方式呈现。首先，当仅研究两个或三个参数时，可以绘制简单的分类图。其次，当研究至少 4 个参数时，可以计算化学计量处理，如主成分分析（PCA）或层次聚类分析（HCA）。这些有时难以解释。第三，通过计算排名（F 或 CDF）或选择性（s）因子，可以估计一个柱子与参考柱子之间的“距离”。在本文中，另一种处理类型应用于 Euerby（田中测试）和 Snyder（疏水性减法模型）的数据，每个测试都有 6 个参数。这种处理产生了一种称为蜘蛛图的可视化分类。在本系列的第一部分中，这种分类类型应用于溶剂的分类。对于各种键合相，得到了逻辑上易于理解的分类，位置明确，可以与色谱性质相关联。这些图的比较表明，基于 Snyder 疏水性减法模型的分类比基于田中测试的分类更有效地区分固定相。最后，基于参数相关性，并为了促进这两个测试与第三个称为类胡萝卜素测试之间的比较，提出了简化的分类图。对于田中测试，选择的参数是戊基苯保留因子（疏水性）、pH7.6 时苄胺/苯酚分离因子（极性表面活性）和三苯并菲/邻三联苯（形状选择性）分离因子。对于 Snyder 测试，选择的参数是乙基苯保留因子（疏水性）、pH7.0 时的 C 项（极性表面活性）和 S*项（立体选择性）。将一些固定相定位到地图上，并比较它们的排名，发现它们在三个测试之间非常吻合。
