Informational orthogonality of two dimensional chromatographic separations
Informational orthogonality of two dimensional chromatographic separations
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DOI：
10.1021/ac950852v
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发表时间：
1996-02-15
影响因子：
7.4
通讯作者：
Dorsey, JG
中科院分区：
文献类型：
--
作者：
Slonecker, PJ;Li, XD;Dorsey, JG
本文用定性信息相似技术描述复杂混合物一维色谱分离与二维色谱分离的信息正交性。反相液相色谱、超临界流体色谱、气液色谱、用二维保留时间图和信息熵计算研究了46种不同分子性质溶质的胶束电动毛细管色谱保留行为，一百零五个技术/固定相对的组合被用来模拟2-D色谱分析。计算了一维和二维信息熵、互信息、同熵或交叉信息、信息相似度来描述信息正交性，并用模式描述符定性描述了二维峰分布。MECC-SDS/SFC-聚乙二醇、MECC-TTAB/SFC-聚乙二醇、HPLC-C18/GLC-DB-5、HPLC-PBD/SFC-苯基、SFC-聚乙二醇/GLC-DB 5和HPLC-苯基/SFC-苯基2-D色谱系统，相反，对于供试溶质，通过中度至重度条带重叠和数据聚类的范围标度保留时间图描述的信息非正交行为，用2-D色谱系统具有高的信息相似性和中度到高度的同熵，这些结果应该证明是有用的预测互补的2-D技术，以及为确认分离或峰纯度选择第二种分离技术。
A qualitative informational similarity technique has been used to describe the informational orthogonality of projected two-dimensional (2-D) chromatographic separations of complex mixtures from their one-dimensional 1-D separations, The reversed-phase liquid chromatography (RPLC), supercritical fluid chromatography (SFC), gas-liquid chromatography (GLC), and micellar electrokinetic capillary chromatography (MECC) retention behavior of up to 46 solutes of varying molecular properties was studied by 2-D range-scaled retention time plots and information entropy calculations, One hundred five combinations of technique/stationary phase pairs were used to simulate the 2-D chromatographic analyses. The informational entropy of one and two dimensions, the mutual information, the synentropy or ''cross information'', and the informational similarity were calculated to describe the informational orthogonality, In addition, pattern descriptors were used to qualitatively describe the 2-D peak distribution, With the solutes tested, informational orthogonality, zero informational similarity, was observed with MECC-SDS/SFC-C1, MECC-SDS/SFC-Carbowax, MECC-TTAB/SFC-Carbowax, HPLC-C18/GLC-DB-5, HPLC-PBD/SFC-phenyl, SFC-Carbowax/GLC-DB5, and HPLC-phenyl/SFC-phenyl 2-D chromatographic systems, Conversely, with the solutes tested, informational nonorthogonal behavior described by range-scaled retention time plots of moderate to severe band overlap and data clustering was observed with 2-D chromatographic systems with high informational similarity and moderate to high degrees of synentropy, These results should prove useful for predicting complementary 2-D techniques as well as for choosing a second separation technique for confirmation of separation or peak purity.