Multi-variable retention modelling in reversed-phase high-performance liquid chromatography based on the solvation method: A comparison between curvilinear and artificial neural network regression

Analytica Chimica Acta

Volumn 690, Issue 1, 2011, Pages 35-46

  D'Archivio, Angelo Antonio ^a   Maggi, Maria Anna ^a   Ruggieri, Fabrizio ^a  

^a UNIVERSITY OF L'AQUILA   (Italy)

Author keywords

Artificial neural network; Mobile phase; Retention prediction; Reversed phase high performance liquid chromatography; Solvatochromic descriptors

Indexed keywords

ARTIFICIAL NEURAL NETWORK; MOBILE PHASE; RETENTION PREDICTION; REVERSED PHASE HIGH PERFORMANCE LIQUID CHROMATOGRAPHY; SOLVATOCHROMIC;

ACETONITRILE; CALIBRATION; CHROMATOGRAPHY; FORECASTING; HIGH PERFORMANCE LIQUID CHROMATOGRAPHY; LIQUIDS; METHANOL; PHASE COMPOSITION; REGRESSION ANALYSIS; SOLVATION; WATER CONTENT; WIRELESS NETWORKS;

NEURAL NETWORKS;

ACETONITRILE; METHANOL; WATER;

ANALYTICAL ERROR; ANALYTICAL PARAMETERS; ARTICLE; ARTIFICIAL NEURAL NETWORK; CALIBRATION; CHEMICAL ANALYSIS; CONTROLLED STUDY; CURVILINEAR REGRESSION; INTERMETHOD COMPARISON; LINEAR SOLVATION ENERGY RELATIONSHIP; PREDICTION; PRIORITY JOURNAL; REGRESSION ANALYSIS; REVERSED PHASE HIGH PERFORMANCE LIQUID CHROMATOGRAPHY; SOLUTE; SOLVATION;

EID: 79952629308     PISSN: 00032670     EISSN: 18734324     Source Type: Journal    
DOI: 10.1016/j.aca.2011.01.056     Document Type: Article

References (32)

1. Nikitas P., Pappa-Louisi A. J. Chromatogr. A 2009, 1216:1737.
2. Siouffi A.M., Phan-Tan-Luu R. J. Chromatogr. A 2000, 892:75.
3. García-Álvarez-Coque M.C., Torres-Lapasió J.R., Baeza-Baeza J.J. Anal. Chim. Acta 2006, 579:125.
4. Héberger K. J. Chromatogr. A 2007, 1158:273.
5. Kaliszan R. Chem. Rev. 2007, 107:3212.
6. Vitha M., Carr P.W. J. Chromatogr. A 2006, 1126:143.
7. Abraham M.H., Ibrahim A., Zissimos A.M. J. Chromatogr. A 2004, 1037:29.
8. Poole C.F., Poole S.K. J. Chromatogr. A 2002, 965:263.
9. Tan L.C., Carr P.W. J. Chromatogr. A 1998, 799:1.
10. Sándi Á., Nagy M., Szepesy L. J. Chromatogr. A 2000, 893:215.
11. Wang A., Tan L.C., Carr P.W. J. Chromatogr. A 1999, 848:21.
12. Wang A., Carr P.W. J. Chromatogr. A 2002, 965:3.
13. Schoenmakers P.J., Billiet H.A.H., de Galan L. J. Chromatogr. 1979, 185:179.
14. Torres-Lapasió J.R., Ruiz-Ángel M.J., García-Álverez-Coque M.C. J. Chromatogr. A 2007, 1166:85.
15. Burns J.A., Whitesides G.M. Chem. Rev. 1993, 93:2583.
16. Marini F., Bucci R., Magrì A.L., Magrì A.D. Microchem. J. 2008, 88:178.
17. Put R., Vander Heyden Y. Anal. Chim. Acta 2007, 602:164.
18. Ruggieri F., D'Archivio A.A., Carlucci G., Mazzeo P. J. Chromatogr. A 2005, 1076:163.
19. Aschi M., D'Archivio A.A., Maggi M.A., Mazzeo P., Ruggieri F. Anal. Chim. Acta 2007, 582:235.
20. Carlucci G., D'Archivio A.A., Maggi M.A., Mazzeo P., Ruggieri F. Anal. Chim. Acta 2007, 601:68.
21. D'Archivio A.A., Maggi M.A., Mazzeo P., Ruggieri F. Anal. Chim. Acta 2008, 628:162.
22. Tham S.Y., Agatonovic-Kustrin S. J. Pharm. Biomed. Anal. 2002, 28:581.
23. Quiming N.S., Denola N.L., Samsuri S.R.B., Saito Y., Jinno K. J. Sep. Sci. 2008, 31:1537.
24. Fatemi M.H., Abraham M.H., Poole C.F. J. Chromatogr. A 2008, 1190:241.
25. D'Archivio A.A., Maggi M.A., Mazzeo P., Ruggieri F. Anal. Chim. Acta 2009, 646:47.
26. D'Archivio A.A., Maggi M.A., Ruggieri F. J. Sep. Sci. 2010, 33:155.
27. Sándi Á., Szepesy L. J. Chromatogr. A 1999, 845:113.
28. Kennard R.W., Stone L.A. Technometrics 1969, 11:137.
29. M. Forina, S. Lanteri, C. Armanino, C. Casolino, M. Casale, P. Oliveri, V-PARVUS 2008. Dip. Chimica e Tecnologie Farmaceutiche ed Alimentari, University of Genova, http://www.parvus.unige.it/.
30. Zupan J., Gasteiger J. Neural Networks in Chemistry and Drug Design 1999, Wiley-VCH Verlag, Weinheim, Germany.
31. Derks E.P.P.A., Buydens L.M.C. Chemom. Intell. Lab. Syst. 1998, 41:171.
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