Modelling of the effect of solute structure and mobile phase pH and composition on the retention of phenoxy acid herbicides in reversed-phase high-performance liquid chromatography

Analytica Chimica Acta

Volumn 616, Issue 2, 2008, Pages 123-137

  Aschi, Massimiliano ^a   D'Archivio, Angelo Antonio ^a   Mazzeo, Pietro ^a   Pierabella, Mirko ^a   Ruggieri, Fabrizio ^a  

^a UNIVERSITY OF L'AQUILA   (Italy)

Author keywords

Artificial neural network; Mobile phase; Phenoxy acids; Retention models; Reversed phase high performance liquid chromatography

Indexed keywords

BACKPROPAGATION; FEEDFORWARD CONTROL; HIGH PERFORMANCE LIQUID CHROMATOGRAPHY; PH; PHASE COMPOSITION; SOLUTE TRANSPORT;

MOBILE PHASE; PHENOXY ACIDS; RETENTION MODELS; REVERSED-PHASE HIGH-PERFORMANCE LIQUID CHROMATOGRAPHY;

HERBICIDES;

ACETONITRILE; BENZOIC ACID; HERBICIDE; PHENYLACETIC ACID; WATER;

ACIDITY; AQUEOUS SOLUTION; ARTICLE; ARTIFICIAL NEURAL NETWORK; CHEMICAL COMPOSITION; DISSOCIATION; MODEL; PH; PKA; PRIORITY JOURNAL; QUANTUM CHEMISTRY; REVERSED PHASE HIGH PERFORMANCE LIQUID CHROMATOGRAPHY; SOLUTE; VALIDATION PROCESS;

CARBOXYLIC ACIDS; CHROMATOGRAPHY, HIGH PRESSURE LIQUID; DATABASES, FACTUAL; HERBICIDES; HYDROGEN-ION CONCENTRATION; MODELS, CHEMICAL; NEURAL NETWORKS (COMPUTER); PREDICTIVE VALUE OF TESTS; QUANTUM THEORY; REPRODUCIBILITY OF RESULTS; SENSITIVITY AND SPECIFICITY; SOLVENTS;

EID: 43049156369     PISSN: 00032670     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.aca.2008.04.016     Document Type: Article

References (45)

1. Hogendoorn E., and van Zoonen P. J. Chromatogr. A 892 (2000) 435
2. Siouffi A.M., and Phan-Tan-Luu R. J. Chromatogr. A 892 (2000) 75
3. García-Álvarez-Coque M.C., Torres-Lapasió J.R., and Baeza-Baeza J.J. Anal. Chim. Acta 579 (2006) 125
4. Héberger K. J. Chromatogr. A 1158 (2007) 273
5. Kaliszan R. Chem. Rev. 107 (2007) 3212
6. Kamlet M.J., and Taft R.W. J. Am. Chem. Soc. 98 (1976) 377
7. Taft R.W., and Kamlet M.J. J. Am. Chem. Soc. 98 (1976) 2886
8. Sadek P.C., Carr P.W., Doherty R.M., Kamlet M.J., Taft R.W., and Abraham M.H. Anal. Chem. 57 (1985) 2971
9. Abraham M.H. Anal. Chem. 69 (1997) 613
10. Vitha M., and Carr P.W. J. Chromatogr. A 1126 (2006) 143
11. Szepesy L. J. Chromatogr. A 960 (2002) 69
12. M.H. Abraham, University College London DataBase, London, UK, 2000.
13. Todeschini R., and Consonni V. Handbook of Molecular Descriptors (2000), Wiley-VCH Verlag, Weinheim, Germany
14. Karelson M., Lobanov V.S., and Katritzky A.R. Chem. Rev. 96 (1996) 1027
15. Put R., and Vander Heyden Y. Anal. Chim. Acta 602 (2007) 164
16. Sutter J.M., Peterson T.A., and Jurs P.C. Anal. Chim. Acta 342 (1997) 113
17. Guo W., Lu Y., and Zheng X.M. Talanta 51 (2000) 479
18. Loukas Y.L. J. Chromatogr. A 904 (2000) 119
19. Suzuki T., Timofei S., Iuoras B.E., Uray G., Verdino P., and Fabian W.M.F. J. Chromatogr. A 922 (2001) 13
20. Wang A., Tan L.C., and Carr P.W. J. Chromatogr. A 848 (1999) 21
21. Wang A., and Carr P.W. J. Chromatogr. A 965 (2002) 3
22. Rosés M., Bolliet D., and Poole C.F. J. Chromatogr. A 829 (1998) 29
23. Espinosa S., Bosch E., and Rosés M. J. Chromatogr. A 945 (2002) 83
24. Ruggieri F., D'Archivio A.A., Carlucci G., and Mazzeo P. J. Chromatogr. A 1076 (2005) 163
25. Aschi M., D'Archivio A.A., Maggi M.A., Mazzeo P., and Ruggieri F. Anal. Chim. Acta 582 (2007) 235
26. D'Archivio A.A., Ruggieri F., Mazzeo P., and Tettamanti E. Anal. Chim. Acta 593 (2007) 140
27. Carlucci G., D'Archivio A.A., Maggi M.A., Mazzeo P., and Ruggieri F. Anal. Chim. Acta 601 (2007) 68
28. Zupan J., and Gasteiger J. Neural Networks in Chemistry and Drug Design (1999), Wiley-VCH Verlag, Weinheim, Germany
29. Burns J.A., and Whitesides G.M. Chem. Rev. 93 (1993) 2583
30. Barbosa J., and Sanz-Nebot V. Fresenius J. Anal. Chem. 353 (1995) 148
31. Barbosa J., and Sanz-Nebot V. J. Chem. Soc. Faraday Trans. 90 (1994) 3287
32. Janoš P., and Škoda J. J. Chromatogr. A 859 (1999) 1
33. Heinisch S., and Rocca J.L. J. Chromatogr. A 1048 (2004) 183
34. Mohamadi F., Richards N.G., Guida W.C., Liskamp R., Caufield C., Chang G., Hendrickson T., and Still W.C. J. Comput. Chem. 11 (1990) 440
35. Binkley J.S., Pople J.A., and Hehre W.J. J. Am. Chem. Soc. 102 (1980) 939
36. Gordon M.S., Binkley J.S., Pople J.A., Pietro W.J., and Hehre W.J. J. Am. Chem. Soc. 104 (1983) 2797
37. Breneman C.M., and Wiberg K.B. J. Comput. Chem. 11 (1990) 361
38. Berendsen H.J.C., Postma J.P.M., van Gunsteren W.F., and Hermans H.J. In: Pullman B. (Ed). Intermolecular Forces (1981), Reidel Publishing, Dordrecht, The Netherlands 331
39. Tomasi J., and Persico M. Chem. Rev. 94 (1994) 2027
40. Schmidt M.W., Baldridge K.K., Boatz J.A., Elbert S.T., Gordon M.S., Jensen J.J., Koseki S., Matsunaga N., Nguyen K.A., Su S., Windus T.L., Dupuis M., and Montgomery J.A. J. Comput. Chem. 14 (1993) 1347
41. Interactive PhysProp Database, Syracuse Research Corporation, http://www.syrres.com/esc/physdemo.htm.
42. Copyright ©1996-2001 JavaNNS Group, Wilhelm-Schickard-Institute for Computer Science (WSI), University of Tübingen, Germany.
43. Rajer-Kanduč K., Zupan J., and Majcen N. Chemom. Intell. Lab. Syst. 65 (2003) 221
44. Nord L.I., and Jacobsson S.P. Chemom. Intell. Lab. Syst. 44 (1998) 153
45. Andersson F.O., Åberg M., and Jacobsson S.P. Chemom. Intell. Lab. Syst. 51 (2000) 61