Artículo
Abstract:
A critical evaluation of chemical and spectral considerations for the simultaneous spectrophotometric determination of calcium and magnesium in groundwater samples with methylthymol blue (MTB) using a calibration set composed by synthetic standards is presented. The method is based upon the spectral changes observed in MTB spectra in the visible region (400-700 nm) when concentrations of calcium and magnesium are varied. First-order multivariate calibration models were built using net analyte pre-processing followed by classical least-squared regression (NAP/CLS) method. The concentration of MTB, the pH of the solution at which the reaction is carried out and the spectral range were optimised. Based on theoretical concentration distribution plots, discussion of experimental effect of each chemical variable is provided. Through a suitable chemical and spectral optimisation and based on a factorial central composite design, we succeeded in obtaining excellent prediction results using a calibration set composed only by eight synthetic solutions in the analytical concentration range of 0-200 and 0-100 mg L-1 for Ca2+ and Mg2+, respectively. The developed methodology was applied to real groundwater samples from Great Buenos Aires area, with no pre-treatment except filtration of turbid samples, showing a very good agreement with the well-known flame atomic absorption spectrometry technique, which was used as reference method. Critical performance comparison with previous work is provided. © 2004 Elsevier B.V. All rights reserved.
Registro:
| Documento: | Artículo |
| Título: | On the use of a small synthetic calibration set for the simultaneous spectrophotometric multivariate determination of Ca2+ and Mg 2+ in groundwater: Chemical and spectral considerations |
| Autor: | Gil Libarona, M.A.; Iñón, F.A. |
| Filiación: | Lab. de Análisis de Trazas, Depto. Quim. Inorg., Analitica Y Q., Ciudad Universitaria, (1428) Buenos Aires, Argentina |
| Palabras clave: | Ca; Calibration set selection; Groundwater analysis; Mg; MTB; Spectrophotometric simultaneous determination; Absorption spectroscopy; Calibration; Groundwater; Least squares approximations; Magnesium printing plates; Mathematical models; Optimization; pH effects; Regression analysis; Spectrophotometry; Atomic absorption spectroscopy; Calibration models; Classical least-square regression (CLS); Methylthymol blue (MTB); Calcium; calcium; ground water; magnesium; thymol; article; atomic absorption spectrometry; calibration; chemical analysis; concentration (parameters); filtration; methodology; pH measurement; priority journal; reaction analysis; regression analysis; spectrophotometry |
| Año: | 2005 |
| Volumen: | 536 |
| Número: | 1-2 |
| Página de inicio: | 159 |
| Página de fin: | 169 |
| DOI: | http://dx.doi.org/10.1016/j.aca.2004.12.057 |
| Título revista: | Analytica Chimica Acta |
| Título revista abreviado: | Anal. Chim. Acta |
| ISSN: | 00032670 |
| CODEN: | ACACA |
| CAS: | calcium, 7440-70-2, 14092-94-5; magnesium, 7439-95-4; thymol, 89-83-8 |
| Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00032670_v536_n1-2_p159_GilLibarona |
Referencias:
- Vogel, A.I., Mendham, J., Denney, R.C., (1989) Vogels Textbook of Quantitative Chemical Analysis, , 5th ed. Longman Scientific and Technical London
- Greenberg, A.E., Trussell, R.R., Clesceri, L.S., Franson, M.A., (1992) Standard Methods for the Examination of Water and Wastewater, 18th Ed., , Washington, DC
- Fries, J., (1971) Análisis de Trazas. Métodos Fotométricos Comprobados, , E. Merck Darmstadt
- Hernández, F., Jiménez, F., Jiménez, A., Arias, J., Havel, J., (1996) Anal. Chim. Acta, 320, p. 177
- Blasco Gómez, F., Bosch Reig, F., Campins Falcó, P., (1999) Talanta, 49, p. 155
- Blasco, F., Medina-Hernández, M.J., Sagrado, S., Fernández, F.M., (1997) Analyst, 122, p. 639
- Marzo, J.B., Medina Hernandez, M.J., Sagrado, S., Bonet, E., Gimenes, R., (1998) J. Chemom., 12, p. 323
- Bremer, C., Grell, E., (1996) Inorg. Chim. Acta, 241, p. 13
- Campínis-Falcó, P., Verdús-Andrés, F., Bosch-Reig, F., (1997) Anal. Chim. Acta, 348, p. 39
- Goicoechea, H.C., Olivieri, A.C., (2000) Trends Anal. Chem., 19, p. 599
- Kiciak, S., Mehdi, M.A., (1992) Talanta, 39, p. 265
- Olivieri, A.C., Goicoechea, H.C., Iñón, F.A., (2004) Chemom. Intell. Lab. Syst., 73, p. 189
- Goicoechea, H.C., Olivieri, A.C., (2001) Analyst, 126, p. 1105
- De La Pena, A.M., Espinosa-Mansilla, A., Acedo Valenzuela, M.I., Goicoechea, H.C., Olivieri, A.C., (2002) Anal. Chim. Acta, 463, p. 75
- Lorber, A., Faber, K., Kowalski, B.R., (1997) Anal. Chem., 69, p. 1620
- Haaland, D.M., Thomas, E.V., (1988) Anal. Chem., 60, p. 1193
- Massart, D.L., Vandeginste, B.G.M., Buydens, L.M.C., De Jong, S., Lewi, P.J., Verbeke, J., (1997) Handbook of Chemometrics and Qualimetrics (Parts a and B), , Elsevier Amsterdam
- Difroggio, R., (1995) Appl. Spectrosc., 49, p. 67
- McShane, M.J., Cote, G.L., Spiegelman, C.H., (1997) Appl. Spectrosc., 51, p. 1559
- Spiegelman, C.H., McShane, M.J., Goetz, M.J., Motamedi, M., Yue, Q.L., Cote, G.L., (1998) Anal. Chem., 70, p. 35
- Goicoechea, H.C., Olivieri, A.C., (1999) Analyst, 124, p. 725
- González, A.G., Herrador, M.A., Asuero, A.G., (1999) Talanta, 48, p. 729
- Faber, N.K.M., (2000) Chemom. Intell. Lab. Syst., 50, p. 107
- Olivieri, A.C., (2002) J. Chemom., 16, p. 207
- Iñón, F.A., Garrigues, J.M., Garrigues, S., Molina, A., De La Guardia, M., (2003) Anal. Chim. Acta, 489, p. 59
- Filho, H.A.D., Galvao, R.K.H., Araujo, M.C.U., Da Silva, E.C., Saldanha, T.C.B., Jose, G.E., Pasquini, C., Rohwedder, J.J.R., (2004) Chemom. Intell. Lab. Syst., 72, p. 83
- Boque, R., Larrechi, M.S., Rius, F.X., (1999) Chemom. Intell. Lab. Syst., 45, p. 397
Citas:
---------- APA ----------
Gil Libarona, M.A. & Iñón, F.A. (2005) . On the use of a small synthetic calibration set for the simultaneous spectrophotometric multivariate determination of Ca2+ and Mg 2+ in groundwater: Chemical and spectral considerations. Analytica Chimica Acta, 536(1-2), 159-169.http://dx.doi.org/10.1016/j.aca.2004.12.057
---------- CHICAGO ----------
Gil Libarona, M.A., Iñón, F.A. "On the use of a small synthetic calibration set for the simultaneous spectrophotometric multivariate determination of Ca2+ and Mg 2+ in groundwater: Chemical and spectral considerations" . Analytica Chimica Acta 536, no. 1-2 (2005) : 159-169.http://dx.doi.org/10.1016/j.aca.2004.12.057
---------- MLA ----------
Gil Libarona, M.A., Iñón, F.A. "On the use of a small synthetic calibration set for the simultaneous spectrophotometric multivariate determination of Ca2+ and Mg 2+ in groundwater: Chemical and spectral considerations" . Analytica Chimica Acta, vol. 536, no. 1-2, 2005, pp. 159-169.http://dx.doi.org/10.1016/j.aca.2004.12.057
---------- VANCOUVER ----------
Gil Libarona, M.A., Iñón, F.A. On the use of a small synthetic calibration set for the simultaneous spectrophotometric multivariate determination of Ca2+ and Mg 2+ in groundwater: Chemical and spectral considerations. Anal. Chim. Acta. 2005;536(1-2):159-169.http://dx.doi.org/10.1016/j.aca.2004.12.057
