Three-dimensional topographic index applied to the prediction of acyclic C5-C8 alkenes Kováts retention indices on polydimethylsiloxane and squalane columns

Journal of Chromatography A

Volumn 1155, Issue 1, 2007, Pages 105-111

  Ren, Yueying ^a   Liu, Huanxiang ^a   Yao, Xiaojun ^a,b   Liu, Mancang ^a  

^a LANZHOU UNIVERSITY   (China)

^b LANZHOU UNIVERSITY   (China)

Author keywords

Alkenes; Heuristic method; Kov ts retention indices; Quantitative structure retention relationship; Three dimensional topographic index

Indexed keywords

COMPUTER SOFTWARE; GAS CHROMATOGRAPHY; HEURISTIC METHODS; MATHEMATICAL MODELS; REGRESSION ANALYSIS; SURFACE TOPOGRAPHY;

QUANTITATIVE STRUCTURE-RETENTION RELATIONSHIP; THREE-DIMENSIONAL TOPOGRAPHIC INDEX;

OLEFINS;

ALKENE DERIVATIVE; DIMETICONE;

ARTICLE; CHEMICAL STRUCTURE; COMPUTER PROGRAM; GAS CHROMATOGRAPHY; HYDROGEN BOND; ISOMER; PRINCIPAL COMPONENT ANALYSIS; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; THREE DIMENSIONAL IMAGING; TOPOGRAPHY;

ALKENES; CHROMATOGRAPHY, GAS; DIMETHYLPOLYSILOXANES; PRINCIPAL COMPONENT ANALYSIS; REPRODUCIBILITY OF RESULTS; SILICONES; SQUALENE;

EID: 34249905181     PISSN: 00219673     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chroma.2007.04.004     Document Type: Article

References (35)

1. Soják L., Addová G., Kubinec R., Kraus A., and Boháč A. J. Chromatogr. A 1025 (2004) 237
2. Takacs J., Talas Zs., Bernath I., and Czako Gv. J. Chromatogr. 67 (1972) 203
3. Garcia-Raso A., Saura-Calixto F., and Raso M.A. J. Chromatogr. 302 (1984) 107
4. Sojak L., Hrivnak J., Ostrosky I., and Janak J. J. Chromatogr. 91 (1974) 613
5. Soják L., Hrivnak J., Mejer P., and Janak I. Anal. Chem. 45 (1973) 293
6. Sojak L., Krupcik J., and Janak J. J. Chromatogr. 195 (1980) 43
7. Rang S., Kuningas K., Orav A., and Eisen O. Chromatographia 10 (1977) 55
8. Papazova D., and Dimov N. J. Chromatogr. 137 (1977) 259
9. Dimov N., and Papazova D. Chromatographia 12 (1979) 720
10. Dimov N., and Osman A. J. Chromatogr. A 773 (1996) 368
11. Dimov N., and Osman A. Anal. Chim. Acta 323 (1996) 15
12. Sanz J., Calderon J., and Dabrio M.V. An. Quim. 75 (1979) 408
13. Chrétien J.R., and Dubois J.E. Anal. Chem. 49 (1977) 747
14. Dubois J.E., Chrétien J.R., Soják L., and Rijks J.A. J. Chromatogr. 194 (1980) 121
15. Chrétien J.R., Dubois J.E., Hirsch R.F., and Gaydosh R.J. J. Chromatogr. 207 (1981) 115
16. Buydens L., and Massart D.L. Anal. Chem. 55 (1983) 738
17. Rohrbaugh R.H., and Jurs P.C. Anal. Chem. 57 (1985) 2770
18. Bermejo J., and Guillen M.D. Int. J. Environ. Anal. Chem. 23 (1985) 77
19. Voelkel A. Chromatographia 25 (1988) 655
20. Hu Z.D., and Zhang H.W. J. Chromatogr. A 653 (1993) 275
21. Heinzen V.E.F., Soares M.F., and Yunes R.A. J. Chromatogr. A 849 (1999) 495
22. Estrada E., and Molina E. J. Chem. Inf. Comput. Sci. 41 (2001) 791
23. Estrada E. J. Chem. Inf. Comput. Sci. 35 (1995) 708
24. Estrada E., and Montero L.A. Mol. Eng. 2 (1992) 363
25. Bogdanov B., Nikolic S., and Trinajstic N. J. Math. Chem. 3 (1989) 299
26. E. Estrada, Y. Gutierrez, MODESLAB for Windows User's Manual, University of Santiago de Compostela, Santiago de Compostela, 2002.
27. A.R. Katritzky, V.S. Lobanov, M. Karelson, CODESSA Version 2.0 Reference Manual, Gainesville, FL, 1994.
28. Soják L., Addová G., Kubinec R., Kraus A., and Hu G. J. Chromatogr. A 947 (2002) 103
29. HyperChem, Release 6.0 for Windows, Hypercube, Gainesville, FL, 2000.
30. J.P.P. Stewart, MOPAC 6.0, Quantum Chemistry Program Exchange (QCPE), Indiana University, Bloomington, IN, 1995. Program 455.
31. Katritzky A.R., Perumal S., Petrukhin R., and Kleinpeter E. J. Chem. Inf. Comput. Sci. 41 (2001) 569
32. Famini G.R., Penski C.A., and Wilson L.Y. J. Phys. Org. Chem. 5 (1992) 395
33. Katritzky A.R., Kuanar M., Fara D.C., Karelson M., and Acree Jr. W.E. Bioorgan. Med. Chem. 12 (2004) 4735
34. Estrada E., Delgado E.J., Alderete J.B., and Jaña G.A. J. Comp. Chem. 25 (2004) 1787
35. Estrada E. J. Phys. Chem. A 106 (2002) 9085