Artículos de revistas
Application Of Genetic Algorithm For Selection Of Variables For The Blls Method Applied To Determination Of Pesticides And Metabolites In Wine
Registro en:
Analytica Chimica Acta. , v. 595, n. 1-2 SPEC. ISS., p. 51 - 58, 2007.
32670
10.1016/j.aca.2006.12.023
2-s2.0-34250889354
Autor
Carneiro R.L.
Braga J.W.B.
Bottoli C.B.G.
Poppi R.J.
Institución
Resumen
A variable selection methodology based on genetic algorithm (GA) was applied in a bilinear least squares model (BLLS) with second-order advantage, in three distinct situations, for determination by HPLC-DAD of the pesticides carbaryl (CBL), methyl thiophanate (TIO), simazin (SIM) and dimethoate (DMT) and the metabolite phthalimide (PTA) in wine. The chromatographic separation was carried out using an isocratic elution with 50:50 (v/v) acetonitrile:water as mobile phase. Preprocessing methods were performed for correcting the chromatographic time shifts, baseline variation and background. The optimization by GA provided a significant reduction of the errors, where for SIM and PTA a decrease of three times the value obtained using all variables, and an improvement in the distribution of them, reducing the observed bias in the results were observed. Comparing the RMSEP of the optimized model with the uncertainty estimates of the reference values it is observed that GA can be a very useful tool in second-order models. © 2006 Elsevier B.V. All rights reserved. 595 1-2 SPEC. ISS. 51 58 Forrest, S., (1993) Science, 261, p. 872 Goldberg, D.E., (1989) Genetic Algorithm in Search, Optimization and Machine Learning, , Addison-Wesley, New York p. 125 Bangalore, A.S., Shaffer, R.E., Small, G.W., Arnold, M.A., (1996) Anal. Chem., 68, p. 4200 Ding, Q., Smal, G.W., Arnold, M.A., (1998) Anal. Chem., 70, p. 4472 Costa Filho, P.A., Poppi, R.J., (2001) Anal. Chim. Acta, 446, p. 39 Lomillo, M.A.A., Renedo, O., Martinéz, M.J.A., (2001) Anal. Chim. Acta, 449, p. 167 Ghasemi, J., Niazi, A., Leardi, R., (2003) Talanta, 59, p. 311 Abdollahi, A., Bagheri, L., (2004) Anal. Chim. Acta, 514, p. 211 Dantas Filho, H.A., Souza, E.S.O.N., Visani, V., Barros, S.R.R.C., Saldanha, T.C.B., Araújo, M.C.U., Galvão, R.K.H., (2005) J. Braz. Chem. Soc., 16, p. 58 Ghasemi, J., Ebrahimi, D.M., Hejazi, L., Leardi, R., Niazi, A., (2006) J. Anal. Chem., 61, p. 92 Franco, V.G., Perin, J.C., Mantovani, V.E., Goicoechea, H.C., (2006) Talanta, 68, p. 1005 Wu, W., Guo, Q., Massart, D.L., Boucon, C., de Jong, S., (2003) Chemometr. Intell. Lab. Syst., 65, p. 83 Lopes, J.A., Menezes, J.C., (2003) Chemometr. Intell. Lab. Syst., 68, p. 75 Gourvénec, S., Capron, X., Massart, D.L., (2004) Anal. Chim. Acta, 519, p. 11 Linder, M., Sundberg, R., (1998) Chemometr. Intell. Lab. Syst., 42, p. 159 Linder, M., Sundberg, R., (2002) J. Chemometr., 16, p. 12 Damiani, P.C., Nepote, A.J., Bearzotti, M., Olivieri, A.C., (2004) Anal. Chem., 76, p. 2798 Marsili, N.R., Lista, A., Band, B.S.F., Goicoechea, H.C., Olivieri, A.C., (2005) Analyst, 130, p. 1291 Goicoechea, H.C., Olivieri, A.C., (2005) Appl. Spectrosc., 59, p. 926 Haimovich, A., Orselli, R., Escandar, G.M., Olivieri, A.C., (2006) Chemometr. Intell. Lab. Syst., 80, p. 99 Faber, N.M., Ferré, J., Boqué, R., Kalivas, J.H., (2002) Chemometr. Intell. Lab. Syst., 63, p. 107 Öhman, J., Geladi, P., Wold, S., (1990) J. Chemometr., 4, p. 79 Lorber, A., (1986) Anal. Chem., 58, p. 1167 Messick, N.J., Kalivas, J.H., Lang, P.M., (1996) Anal. Chem., 68, p. 1572 Ho, C.N., Christian, G.D., Davidson, E.R., (1980) Anal. Chem., 52, p. 1071 Olivieri, A.C., Faber, N.M., (2005) J. Chemometr., 19, p. 583 Boqué, R., Larrechi, M.S., Rius, F.X., (1999) Chemometr. Intell. Lab. Syst., 45, p. 397 Boqué, R., Ferre, J., Faber, N.M., Rius, F.X., (2002) Anal. Chim. Acta, 451, p. 313 Olivieri, A.C., Faber, N.M., (2004) Chemometr. Intell. Lab. Syst., 70, p. 75 Miller-Ihli, N.J., O'Haver, T.C., (1984) Spectrochim. Acta, 39 B, p. 1603 http://www.codexalimentarius.net/mrls/pestdes/jsp/pest_q-e.jspPrazen, B.J., Synovec, R.E., Kowalski, B.R., (1998) Anal. Chem., 70, p. 218 Riu, J., Rius, F.X., (1996) Anal. Chem., 68, p. 1851