3D-modelling and prediction by WHIM descriptors. Part 9. Chromatographic relative retention time and physico-chemical properties of polychlorinated biphenyls (PCBs)

Chemometrics and Intelligent Laboratory Systems

Volumn 40, Issue 1, 1998, Pages 53-63

  Gramatica, P ^a   Navas, N ^a   Todeschini, R ^a  

^a UNIVERSITY OF MILAN   (Italy)

Author keywords

GC relative retention time; Polychlorinated biphenyls (PCBs); QSPR; Variables subset selection (VSS); WHIM descriptors

Indexed keywords

POLYCHLORINATED BIPHENYL;

ARTICLE; CHEMICAL ANALYSIS; CHROMATOGRAPHY; PRIORITY JOURNAL; SOLUBILITY; STRUCTURE ACTIVITY RELATION; THREE DIMENSIONAL IMAGING;

EID: 0032076270     PISSN: 01697439     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0169-7439(97)00079-8     Document Type: Article

References (39)

1. Nesaretnam K., Corcoran D., Dils R.R., Darbre P. Mol. Endocrinol. 10:1996;923-936.
2. Soto A.M., Sonnenschein C., Chung K.L., Fernandez M.F., Olea N., Olea F. Environ. Health Perspect. 103:1995;113-122.
3. Bowadt S., Skejoandresen H., Montanarella L., Larsen B. Int. J. Environ. Anal. Chem. 56:1994;87-107.
4. Gajduskova V., Uldrich R. Vet. Med. 37:1992;471-478.
5. Bolgar M., Cunningham J., Cooper R., Kozloski R., Hubball J., Miller D.P., Crone T., Kimball H., Janooby A., Miller B., Fairless B. Chemosphere. 31:1995;2687-2705.
6. Castello G., Testini G. J. Chromatogr. A. 741:1996;241-249.
7. Mullin M.D., Pochini C.M., McCrindle S., Romkes M., Safe S., Safe L. Environ. Sci. Technol. 18:1994;468-476.
8. Hasan M.N., Jurs C. Anal. Chem. 60:1988;978-982.
9. Robbat A. Jr., Xyrafas G., Marshall D. Anal. Chem. 60:1988;982-985.
10. Devillers J. Fresenius' Z. Anal. Chem. 332:1988;61-62.
11. Govers H.A.J., de Voogt P. SAR QSAR Environ. Res. 3:1995;315-324.
12. Engwall M., Broman D., Ishaq R., Naf C., Zebuhr Y. Environ. Toxicol. Chem. 15:1996;213-222.
13. Borrell A., Aguilar A., Corsolini A., Focardi S. Chemosphere. 32:1996;2359-2369.
14. Bopp R.F. J. Geophys. Res. 88:1983;2521-2529.
15. Slinn W.G.N., Hasse L., Hicks B.B., Hogan A.W., Lal D., Liss P.S., Munnich K.O., Sehmel G.A., Vittori O. Atmos. Environ. 12:1978;2055-2087.
16. Todeschini R., Lasagni M., Marengo E. J. Chemom. 8:1994;263-272.
17. Todeschini R., Gramatica P., Provenzani R., Marengo E. Chemom. Intell. Lab. Syst. 27:1995;221-229.
18. Todeschini R., Gramatica P. Quant. Struct.-Act. Relat. 16:1997;113-119.
19. Todeschini R., Vighi M., Provenzani R., Finizio A., Gramatica P. Chemosphere. 32:1996;1527-1545.
20. Todeschini R., Bettiol C., Giurin G., Gramatica P., Miana P., Argese E. Chemosphere. 33:1996;71-79.
21. Todeschini R., Gramatica P. Quant. Struct.-Act. Relat. 16:1997;120-125.
22. C. Chiorboli, P. Gramatica, R. Piazza, A. Pino, R. Todeschini, SAR QSAR Environ. Res., in press.
23. R. Todeschini, M. Vighi, A. Finizio, P. Gramatica, SAR QSAR Environ. Res., in press.
24. Patil G.S. Chemosphere. 22:1991;723-738.
25. Dunnivant F., Elzerman A. Chemosphere. 17:1988;525-541.
26. D. Mackay, W.Y. Shiu, K.C. Ma, Illustrated Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. II, Lewis, Chelsea, MI, 1992.
27. Blair T.T., Gifford E., Acree W.E., Tsai C.C. Phys. Chem. Liq. 24:1992;137-143.
28. Doucette W.J., Andren A.W. Environ. Sci. Technol. 21:1987;821-829.
29. Myrdal P., Ward G.H., Dannenfelser R.M., Mishra D., Yalkowsky S.H. Chemosphere. 24:1992;1047-1061.
30. HyperChem, Rel. 4 for Windows, Autodesk, Sausalito, CA (USA) 1995.
31. Hasan M.N., Jurs P.C. Anal. Chem. 62:1990;2318-2323.
32. R. Todeschini, WHIM-3D/QSAR-Software for the Calculation of the WHIM descriptors. Rel. 2.1 for Windows, Talete srl, Milan (Italy) 1996.
33. Leardi R., Boggia R., Terrile M. J. Chemom. 6:1992;267-281.
34. R. Todeschini, Moby Digs-Software for Variable Subset Selection by Genetic Algorithms. Rel. 1.0 for Windows, Talete srl, Milan (Italy) 1997.
35. Baker R.J., Acree W.E. Jr., Tsai C.C. Quant. Struct.-Act. Relat. 3:1984;10-16.
36. Baker R.J., Donelan B.J., Peterson L.J., Acree W.E. Jr., Tsai C.C. Phys. Chem. Liq. 16:1987;279-287.
37. Bodor N., Gabanyi Z., Wong C. J. Am. Chem. Soc. 111:1989;3783-3787.
38. Dearden J.C. Chemom. Intell. Lab. Syst. 24:1994;77-87.
39. Sabljic A., Gusten H. Chemosphere. 19:1989;1503-1511.