Poole Colin F, Qian Jing, Kiridena Waruna, Dekay Colleen, Koziol Wladyslaw W
Department of Chemistry, Wayne State University, Detroit, MI 48202, USA.
J Chromatogr A. 2006 Nov 17;1134(1-2):284-90. doi: 10.1016/j.chroma.2006.08.092. Epub 2006 Sep 20.
The solvation parameter model is used to characterize the separation characteristics of two application-specific open-tubular columns (Rtx-Volatiles and Rtx-VGC) and a general purpose column for the separation of volatile organic compounds (DB-WAXetr) at five equally spaced temperatures over the range 60-140 degrees C. System constant differences and retention factor correlation plots are then used to determine selectivity differences between the above columns and their closest neighbors in a large database of system constants and retention factors for forty-four open-tubular columns. The Rtx-Volatiles column is shown to have separation characteristics predicted for a poly(dimethyldiphenylsiloxane) stationary phase containing about 16% diphenylsiloxane monomer. The Rtx-VGC column has separation properties similar to the poly(cyanopropylphenyldimethylsiloxane) stationary phase containing 14% cyanopropylphenylsiloxane monomer DB-1701 for non-polar and dipolar/polarizable compounds but significantly different characteristics for the separation of hydrogen-bond acids. For all practical purposes the DB-WAXetr column is shown to be selectivity equivalent to poly(ethylene glycol) columns prepared using different chemistries for bonding and immobilizing the stationary phase. Principal component analysis and cluster analysis are then used to classify the system constants for the above columns and a sub-database of eleven open-tubular columns (DB-1, HP-5, DB-VRX, Rtx-20, DB-35, Rtx-50, Rtx-65, DB-1301, DB-1701, DB-200, and DB-624) commonly used for the separation of volatile organic compounds. A rationale basis for column selection based on differences in intermolecular interactions is presented as an aid to method development for the separation of volatile organic compounds.
溶剂化参数模型用于表征两根专用开管柱（Rtx-Volatiles和Rtx-VGC）以及一根用于分离挥发性有机化合物的通用柱（DB-WAXetr）在60至140摄氏度范围内五个等间距温度下的分离特性。然后，利用系统常数差异和保留因子相关图，在一个包含44根开管柱的系统常数和保留因子的大型数据库中，确定上述柱子与其最接近的相邻柱子之间的选择性差异。结果表明，Rtx-Volatiles柱具有含约16%二苯基硅氧烷单体的聚（二甲基二苯基硅氧烷）固定相所预测的分离特性。对于非极性和偶极/可极化化合物，Rtx-VGC柱的分离性能与含14%氰丙基苯基硅氧烷单体DB-1701的聚（氰丙基苯基二甲基硅氧烷）固定相相似，但对于氢键酸的分离具有显著不同的特性。实际上，DB-WAXetr柱的选择性与使用不同化学方法键合和固定固定相制备的聚（乙二醇）柱相当。然后，利用主成分分析和聚类分析对上述柱子以及一个包含11根常用于分离挥发性有机化合物的开管柱（DB-1、HP-5、DB-VRX、Rtx-20、DB-35、Rtx-50、Rtx-65、DB-1301、DB-1701、DB-200和DB-624）的子数据库的系统常数进行分类。基于分子间相互作用差异的柱选择理论基础被提出，以辅助挥发性有机化合物分离方法的开发。
