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Quantitative relationship between chromatographic retentions and molecular structures of polychlorinated dibenzo-p-dioxins (PCDDs)
Liang, X; Wang, W; Wu, W; Schramm, KW; Henkelmann, B; Kettrup, A
关键词Quantitative Relationship Gas Chromatography Pcdds Chromatographic Retention Descriptors
刊名CHEMOSPHERE
2000-09-01
41期:6页:923-929
收录类别SCI
文章类型Article
WOS标题词Science & Technology ; Life Sciences & Biomedicine
类目[WOS]Environmental Sciences
研究领域[WOS]Environmental Sciences & Ecology
关键词[WOS]COMPUTER-ASSISTED PREDICTION ; ENVIRONMENTAL-SAMPLES ; GAS-CHROMATOGRAPHY ; SURFICIAL SEDIMENTS ; ELECTRON-CAPTURE ; NEWARK BAY ; NEW-JERSEY ; IDENTIFICATION ; BIPHENYLS ; INDEXES
英文摘要A new approach to study the quantitative relationships between chromatographic retentions and molecular structures of polychlorinated dibenzo-p-dioxins (PCDDs) is described. The retention equations of PCDDs log k' = A + B/T in gas chromatography (GC) are used to evaluate the properties of the regression coefficients A and B, which have been widely accepted as highly reliable chromatographic retentions. The quantitative relationships between the A, B values and the molecular structures are found. The molecular descriptors given for the first time in this article are very effective. As a result, the regression equations are derived with correlation coefficients greater than 0.9995. The A, B values of PCDDs with no standards available have been predicted according to these relationships. They are very useful in chromatographic identification. The retention times of all PCDDs can be conveniently predicted at any temperature program. Compared with the data obtained from the relevant experiments, the results of prediction are very accurate. (C) 2000 Elsevier Science Ltd. All rights reserved.
语种英语
WOS记录号WOS:000087248300017
引用统计
被引频次:17[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/138657
专题中国科学院大连化学物理研究所
作者单位1.Chinese Acad Sci, Dalian Inst Chem Phys, Dalian 116011, Peoples R China
2.Chinese Acad Sci, Inst Hydrobiol, Wuhan 430072, Peoples R China
3.GSF Forschungszentrum Umwelt & Gesundheit, Inst Okol Chem, D-85764 Oberschleissheim, Germany
推荐引用方式
GB/T 7714
Liang, X,Wang, W,Wu, W,et al. Quantitative relationship between chromatographic retentions and molecular structures of polychlorinated dibenzo-p-dioxins (PCDDs)[J]. CHEMOSPHERE,2000,41(6):923-929.
APA Liang, X,Wang, W,Wu, W,Schramm, KW,Henkelmann, B,&Kettrup, A.(2000).Quantitative relationship between chromatographic retentions and molecular structures of polychlorinated dibenzo-p-dioxins (PCDDs).CHEMOSPHERE,41(6),923-929.
MLA Liang, X,et al."Quantitative relationship between chromatographic retentions and molecular structures of polychlorinated dibenzo-p-dioxins (PCDDs)".CHEMOSPHERE 41.6(2000):923-929.
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