The lipophilicity of some hazardous substances estimated by high performance liquid chromatography and computed by various methods

Journal of Liquid Chromatography and Related Technologies

Volumn 34, Issue 4, 2011, Pages 289-306

  Petre, Jana ^a   Naşcu Briciu, Rodica Domnica ^b   Iancu, Vasile ^a   David, Victor ^c   Sârbu, Costel ^b  

^a NATIONAL RESEARCH AND DEVELOPMENT INSTITUTE FOR INDUSTRIAL ECOLOGY ECOIND   (Romania)

^b BABE BOLYAI UNIVERSITY   (Romania)

^c UNIVERSITY OF BUCHAREST   (Romania)

Author keywords

HPLC; lipophilicity; log kw; log P; PAHs; pesticides

Indexed keywords

HPLC; LIPOPHILICITY; LOG KW; LOG P; PAHS;

ACETONITRILE; AGRICULTURAL CHEMICALS; HIGH PERFORMANCE LIQUID CHROMATOGRAPHY; LIQUIDS; MATERIALS HANDLING; METHANOL; PESTICIDES;

CHROMATOGRAPHY;

ACENAPHTHENE DERIVATIVE; ACENAPHTHYLENE; ANTHRACENE; ATRAZINE; COUMAFOS; DICHLORVOS; DIURON; FENITROTHION; FLUORENE; ISOPROTURON; LINURON; MONOLINURON; NAPHTHALENE; OCTANOL; ORGANIC CARBON; PARATHION; PESTICIDE; PHENANTHRENE; PHOXIM; POLYCYCLIC AROMATIC HYDROCARBON; PROMETON; PROMETRYN; PROPANIL; PROPAZINE; SIMAZINE; WATER;

ARTICLE; DANGEROUS GOODS; HIGH PERFORMANCE LIQUID CHROMATOGRAPHY; LIPOPHILICITY; PARTITION COEFFICIENT; PRINCIPAL COMPONENT ANALYSIS;

EID: 79551626271     PISSN: 10826076     EISSN: 1520572X     Source Type: Journal    
DOI: 10.1080/10826076.2011.547117     Document Type: Article

References (29)

1. Bostok, J. Pliny the Elder. The Natural History, Taylor and Francis Publication: London, UK, 1856.
2. Kaushik, P.; Kaushik, G. An Assessment of Structure and Toxicity Correlation in Organochlorine Pesticides.J. Haz. Mat. 2007, 143, 102-111
3. Compendium of Pesticide Common Names, http://www.alanwood.net/pesticides/ index.html
4. Beard, J. Australian Rural Health Research Collaboration, DDTand human health. Sci. Tot. Environ. 2006, 355, 78-89.
5. Muñoz, I.; Gómez-Ramos, M. J.; Agüera, A.; Fernández-Alba, A. R.; Garća-Reyes, J. F; Molina-D́az, A. Chemical Evaluation of Contaminants in Wastewater Effluents and the Environmental Risk of Reusing Effluents in Agriculture. Tr. Anal. Chem. 2009, 28, 676-694
6. Mart́nez Vidal, J. L.; Plaza-Bolanos, P; Romero-González, R.; Garrido Frenich, A. Determination of Pesticide Transformation Products: A Review of Extraction and Detection Methods. J. Chromatogr. A 2009, 1216, 6767-6788.
7. Kah, M.; Brown, C. D. Prediction of the Adsorption of Ionizable Pesticides in Soils. J. Agric. Food Chem. 2007, 55, 2312-2322.
8. Toropov, A. A.; Benfenati, E. QSAR Models for Daphnia Toxicity of Pesticides Based on Combina-tions of Topological Parameters of Molecular Structures. Bioorg. Med. Chem. 2006, 14, 2779-2788.
9. Duchowicz, P. R.; Mercader, A. G.; Fernández, F M.; Castro, E. A. Prediction of Aqueous Toxicity for Heterogeneous Phenol Derivatives by QSAR. Chemom. Intell. Lab. Syst. 2008, 90, 97-107.
10. Schultz, T. W.; Cronin, M. T. D.; Netzeva, T. I. The Present Status of QSAR in Toxicology. J. Mol. Struct. (Theochem). 2003, 622, 23-38.
11. Mazzatorta, P.; Smiesko, M.; Piparo, E. L.; Benfenati, E. QSAR Model for Predicting Pesticide Aqua-tic Toxicity. J. Chem. Inf. Model 2005, 45, 1767-1774.
12. Briciu, R. D.; Kot-Wasik, A.; Namiesnik, J.; Sârbu, C. The Lipophilicity Indices of Flavonoids Estimated by Reversed-Phase Liquid Chromatography Using Different Computation Methods. J. Sep. Sci. 2009, 32, 2066-2074.
13. Briciu, R D.; Kot-Wasik, A.; Wasik, A.; Namieśnik, J.; Sârbu, C. The Lipophilicity ofArtificial and Natural Sweeteners Estimated by Reversed-Phase Thin-Layer Chromatography and Computed by Various Methods. J. Chromatogr. A 2010, 1217, 3702-3706.
14. Kah, M.; Brown, C. D. LogD: Lipophilicity for Ionisable Compounds. Chemosphere. 2008, 72, 1401-1408.
15. Paschke, A.; Neitzel, P. L.; Walther, W.; Schüürmann, G. Octanol/Water Partition Coefficient of Selected Herbicides: Determination Using Shake-Flask Method and Reversed-Phase High-Perform-ance Liquid Chromatography. J. Chem. Eng. Data 2004, 49, 1639-1642.
16. Sârbu, C; Djakovic-Sekulić, T; PerisicJanjić, N. Evaluation ofLipophilicityofSome Benzimidazole and Benztriazole Derivatives by RP HPTLC and PCA. J. Pharm. Biomed. Anal. 2002, 30, 739-745.
17. Kaliszan, R Structure and Retention in Chromatography: A Chemometric Approach, Harwood Academic Publishers: Amsterdam, The Netherlands, 1997
18. Sangster, J. Octanol-Water Partition Coefficients: Fundamentals and Physical Chemistry, Wiley: West Sussex, UK, 1997.
19. Huber, J. F. K; Meijers, C. A. H.; Hulsman, J. A. R J. Prediction of Partition Coefficients in Liquid-Liquid Systems and Its Experimental Verification for Steroids by Static and Chromato-graphic Measurements. Anal. Chem. 1972, 44, 111-116.
20. Kaune, A.; Knorrenschild, M.; Kettrup, A. Predicting 1-octanol-water Partition Coefficient by High-Performance Liquid Chromatography Gradient Elution. Fresenius J. Anal. Chem. 1995, 352, 303-312.
21. Haber, P.; Bauczek, T; Kaliszan, R; Snyder, L. R; Dolan, J. W.; Wehr, C. T Computer Simulation for the Simultaneous Optimization of Any Two Variables and Any Chromatographic Procedure.J. Chro-matogr. Sci. 2000, 38, 386-392
22. Kaliszan, R Quantitative Structure-Retention Relationship. Anal. Chem. 1992, 64, 619-631.
23. Valkó, K General Approach for the Estimation of Octanol/Water Partition Coefficient by Reversed-Phase High-Performance Liquid Chromatography. J. Liq. Chromatogr. 1984, 7, 1405-1424.
24. Valkó, K.; Bevan, C; Reynolds, D. Chromatographic Hydrophobicity Index by Fast-Gradient RP-HPLC: A High-Throughput Alternative to Log P/log D. Anal. Chem. 1997, 69, 2022-2029.
25. Sârbu, C; Briciu, R D. Lipophilicity of Natural Sweeteners Estimated on Various Oils and Fats Impregnated Thin-Layer Chromatography Plates.J. Liq. Chromatogr. Rel. Technol. 2010, 33, 903-921.
26. Briciu, R D.; Sârbu, C. Lipophilicity of Flavonoids Estimated by Reversed-Phase High Performance Thin-Layer Chromatography: Chemically Bonded Plates vs. Impregnated Plates with Oils, Animal, and Human Fats. Sep. Sci. Technol. 2010, 45, 1275-1285.
27. Briciu, R D.; Sârbu, C. Comparative Evaluation of Vegetable Oils-Impregnated Layers as Reversed-Phases for Thin-Layer Chromatography. J. Am. Oil Chem. Soc. 2010, 87, 1091-1102.
28. Tetko, I. V; Gasteiger, J.; Todeschini, R; Mauri, A.; Livingstone, D.; Ertl, P.; Palyulin, V A.; Radchenko, E. V; Zefirov, N. S.; Makarenko, A. S.; Tanchuk, V Y.; Prokopenko, V V Virtual Computational Chemistry Laboratory-Design and Description. J. Comput. Aided Mol. Des. 2005, 19, 453-463.
29. Tomlin, C. The Pesticide Manual. A World Compendium. British Crop Protection Council, 1994.