Quantitative structure-retention relationship and 3D molecular modeling studies of the unusual chromatographic behavior of triphenylmethane derivatives in RPTLC systems

Journal of Planar Chromatography - Modern TLC

Volumn 22, Issue 4, 2009, Pages 255-263

  Bélai, Iván ^a   Oros, Gyula ^a   Bordás, Barna ^a  

^a INSTITUTE OF EXPERIMENTAL MEDICINE   (Hungary)

Author keywords

Comparative molecular similarity indices analysis (CoMSIA); Dual retention mechanism; Partial least squares (PLS) regression; Quantitative structure property relationship (QSPR); RPTLC; Triphenylmethanes

Indexed keywords

COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS (COMSIA); DUAL RETENTION MECHANISM; PARTIAL LEAST-SQUARES (PLS) REGRESSION; QUANTITATIVE STRUCTURE-PROPERTY RELATIONSHIP (QSPR); RPTLC; TRIPHENYLMETHANES;

ACETONE; ENZYME INHIBITION; GELATION; HYDROGEN; HYDROGEN BONDS; MOLECULAR MODELING; MOLECULES; REGRESSION ANALYSIS; SILICA; SILICA GEL; STRUCTURAL PROPERTIES; SULFUR COMPOUNDS; THERMOELECTRIC POWER; THREE DIMENSIONAL; WATER CONTENT;

MATHEMATICAL MODELS;

TRIPHENYLMETHANE DERIVATIVE;

ARTICLE; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; LIPOPHILICITY; PARTIAL LEAST SQUARES REGRESSION; QUANTITATIVE STRUCTURE PROPERTY RELATION; REVERSED PHASE LIQUID CHROMATOGRAPHY; THIN LAYER CHROMATOGRAPHY;

EID: 70350114099     PISSN: 09334173     EISSN: None     Source Type: Journal    
DOI: 10.1556/JPC.2009.1002     Document Type: Article

References (25)

1. É. János and G. Oros, J. Chromatogr. 520 (1990) 217-222.
2. A. Nahum and C. Horváth, J. Chromatogr. 203 (1981) 53-63.
3. K.E. Bij, C. Horváth, W.R. Melander, and A. Nahum, J. Chromatogr. 203 (1981) 65-84.
4. É. János, T. Cserháti, and E. Tyihák, J. High Resolut. Chromatogr. Chromatogr. Commun. 5 (1982) 634-635.
5. J. Gasparic, Adv. Chromatogr. 31 (1992) 153-252.
6. K. Dross, C. Sonntag, and R. Mannhold, J. Chromatogr. A 673 (1994) 113-124.
7. K. Kulig and B. Malawska, Biomed. Chromatogr. 17 (2003) 318-324.
8. H. Scheinflug and H. Kuck, in: H. Lyr (ed.), Modern Selective Fungicides, VEB Gustav Fischer Verlag Jena, 1987, pp. 173- 204.
9. R. Burmucic, Wien. Med. Wochenschr. 127 (1977) 116-118.
10. B. Tóth, M. Tüske, G. Matolcsy, and L. Varjas, Acta Phytopath. Acad. Sci. Hun. 12 (1977) 375-381.
11. R. Todeschini, V. Consonni, and M. Pavan, DRAGON Software for the calculation of molecular descriptors, version 5, 2005; available at: http://www.disat.unimib.it/chm
12. G. Cruciani, M. Pastor, and W. Guba, Eur. J. Pharm. Sci. 11 (2000) S29-S39.
13. G. Cruciani, P. Crivori, P.-A. Carrupt, and B. Testa, J. Mol. Struct. THEOCHEM 503 (2000) 17-30.
14. K. Héberger, J. Chromatogr. A 1158 (2007) 273-305.
15. R. Kaliszan, Chem. Rev. 107 (2007) 3212-3246.
16. Sybyl 7.3, Tripos Inc. St. Louis, MO, http://tripos.com/index. php?fmily=Modules,SimplePage,discovery-info
17. R. Todeschini and V. Consonni, "Handbook of Molecular Descriptors", Methods and Principles in Medicinal Chemistry, Vol.11, Wiley-VCH, Weinheim, 2000.
18. I.V. Tetko, J. Gasteiger, R. Todeschini, A. Mauri, D. Livingstone, P. Ertl, V. A. Palyulin, E.V. Radchenko, N.S. Zefirov, A.S. Makarenko, V.Y. Tanchuk, and V.V. Prokopenko, J. Comput. Aid. Mol. Des. 19 (2005) 453-463
19. J. Devillers and A.T. Balaban (eds.), Topological Indices and Related Descriptors in QSAR and Drug Design. Gordon & Breach, Amsterdam, 2000.
20. L.B. Kier and L.H. Hall, Molecular Connectivity in Structure- Activity Analysis. RSP-Wiley, Chichester (UK), 1986.
21. V. Consonni and R. Todeschini, in: H.-D. Hottje and W. Sippl (eds.), Rational Approaches to Drug Design, Prous Science, Barcelona, 2001, pp. 235-240.
22. V.N. Viswanadhan, A.K. Ghose, G.R. Revankar, and R.K. Robins, J. Chem. Inf. Comput. Sci. 29 (1989) 163-172.
23. P. Ertl, B. Rohde, and P. Selzer, J. Med. Chem. 43 (2000) 3714-3717.
24. I. Moriguchi, S. Hirono, Q. Liu, I. Nakagome, and Y. Matsuhita, Chem. Pharm. Bull. 40 (1992) 127-130.
25. I.V. Tetko, V.Y. Tanchuk, and A.E.P. Villa, J. Chem. Inf. Comp. Sci. 41 (2001) 1407-1421.