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

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...

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Autores principales: Gil Libarona, M.A., Iñón, F.A.
Formato: JOUR
Materias:
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
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_00032670_v536_n1-2_p159_GilLibarona
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Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
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spelling todo:paper_00032670_v536_n1-2_p159_GilLibarona2023-10-03T13:55:46Z 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 Gil Libarona, M.A. Iñón, F.A. 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 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. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_00032670_v536_n1-2_p159_GilLibarona
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic 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
spellingShingle 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
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
topic_facet 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
description 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.
format JOUR
author Gil Libarona, M.A.
Iñón, F.A.
author_facet Gil Libarona, M.A.
Iñón, F.A.
author_sort Gil Libarona, M.A.
title 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
title_short 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
title_full 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
title_fullStr 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
title_full_unstemmed 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
title_sort 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
url http://hdl.handle.net/20.500.12110/paper_00032670_v536_n1-2_p159_GilLibarona
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AT inonfa ontheuseofasmallsyntheticcalibrationsetforthesimultaneousspectrophotometricmultivariatedeterminationofca2andmg2ingroundwaterchemicalandspectralconsiderations
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