PREDICTION OF GAS AND LIQUID-CHROMATOGRAPHIC RETENTION INDEXES OF POLYHALOGENATED BIPHENYLS

被引：40

作者：

HASAN, MN ^{[1
]}

JURS, PC ^{[1
]}

机构：

[1] PENN STATE UNIV,DEPT CHEM,152 DAVEY LAB,UNIVERSITY PK,PA 16802

来源：

ANALYTICAL CHEMISTRY | 1990年 / 62卷 / 21期

关键词：

D O I：

10.1021/ac00220a012

中图分类号：

O65 [分析化学];

学科分类号：

070302 ; 081704 ;

摘要：

Gas chromatographic and liquid chromatographic retention indices of polyhalogenated biphenyl compounds are successfully modeled by using descriptors derived directly from the molecular structures. A five-variable regression equation with R2 = 0.989 and relative standard deviation of 2.2% was generated for the GC retention Indices of 53 PHBs. A five-variable regression equation with R2 = 0.968 and relative standard deviation of 8.5 % was generated for the LC retention Indices of 53 PHBs. The descriptors found to be important are analyzed. © 1990, American Chemical Society. All rights reserved.

引用

页码：2318 / 2323

页数：6

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