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Quantitative relationship between chromatographic retentions and molecular structures of polychlorinated dibenzo-p-dioxins (PCDDs)
X. Liang; W. Wang; W. Wu; K.-W. Schramm; B. Henkelmann; A. Kettrup; Liang, X, Chinese Acad Sci, Dalian Inst Chem Phys, 161 Zhongshan Rd, Dalian 116011, Peoples R China
2000
Source PublicationCHEMOSPHERE
Volume41Issue:6Pages:923-929
AbstractA 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.
KeywordQuantitative Relationship Gas Chromatography Pcdds Chromatographic Retention Descriptors
DepartmentChinese Acad Sci, Dalian Inst Chem Phys, Dalian 116011, Peoples R China; Chinese Acad Sci, Inst Hydrobiol, Wuhan 430072, Peoples R China; GSF Forschungszentrum Umwelt & Gesundheit, Inst Okol Chem, D-85764 Oberschleissheim, Germany
Subject AreaEnvironmental Sciences
Indexed BySCI
WOS IDWOS:000087248300017
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Document Type期刊论文
Identifierhttp://ir.ihb.ac.cn/handle/152342/10128
Collection期刊论文
Corresponding AuthorLiang, X, Chinese Acad Sci, Dalian Inst Chem Phys, 161 Zhongshan Rd, Dalian 116011, Peoples R China
Recommended Citation
GB/T 7714
X. Liang,W. Wang,W. Wu,et al. Quantitative relationship between chromatographic retentions and molecular structures of polychlorinated dibenzo-p-dioxins (PCDDs)[J]. CHEMOSPHERE,2000,41(6):923-929.
APA X. Liang.,W. Wang.,W. Wu.,K.-W. Schramm.,B. Henkelmann.,...&Liang, X, Chinese Acad Sci, Dalian Inst Chem Phys, 161 Zhongshan Rd, Dalian 116011, Peoples R China.(2000).Quantitative relationship between chromatographic retentions and molecular structures of polychlorinated dibenzo-p-dioxins (PCDDs).CHEMOSPHERE,41(6),923-929.
MLA X. Liang,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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