Multivariate quality control studies applied to Ca(II) and Mg(II) determination by a portable method
Autor(a) principal: | |
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Data de Publicação: | 1998 |
Outros Autores: | , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Institucional da UNESP |
Texto Completo: | http://dx.doi.org/10.1002/(SICI)1099-128X(199809/10)12:5<323 http://hdl.handle.net/11449/223807 |
Resumo: | A portable or field test method for simultaneous spectrophotometric determination of calcium and magnesium in water using multivariate partial least squares (PLS) calibration methods is proposed. The method is based on the reaction between the analytes and methylthymol blue at pH 11. The spectral information was used as the X-block and the Ca(II) and Mg(II) concentrations obtained by a reference technique (ICP-AES) were used as the Y-block. Two series of analyses were performed, with a month's difference between them. The first series was used as the calibration set and the second one as the validation set. Multivariate statistical process control (MSPC) techniques based on statistics from principal component models, were used to study the features and evolution with time of the spectral signals. Signal standardization was used to correct the deviations between series Method validation was performed by comparing the predictions of the PLS model with the reference Ca(II) and Mg(II) concentrations determined by ICP-AES using the joint interval test for the slope and intercept of the regression line with errors in both axes. © 1998 John Wiley & Sons, Ltd. |
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Multivariate quality control studies applied to Ca(II) and Mg(II) determination by a portable methodAnalysis of waterCalcium and magnesium multicomponent analysisMultivariate statistical process control (MSPC)Partial least squares (PLS) regressionSignal standardizationA portable or field test method for simultaneous spectrophotometric determination of calcium and magnesium in water using multivariate partial least squares (PLS) calibration methods is proposed. The method is based on the reaction between the analytes and methylthymol blue at pH 11. The spectral information was used as the X-block and the Ca(II) and Mg(II) concentrations obtained by a reference technique (ICP-AES) were used as the Y-block. Two series of analyses were performed, with a month's difference between them. The first series was used as the calibration set and the second one as the validation set. Multivariate statistical process control (MSPC) techniques based on statistics from principal component models, were used to study the features and evolution with time of the spectral signals. Signal standardization was used to correct the deviations between series Method validation was performed by comparing the predictions of the PLS model with the reference Ca(II) and Mg(II) concentrations determined by ICP-AES using the joint interval test for the slope and intercept of the regression line with errors in both axes. © 1998 John Wiley & Sons, Ltd.Depto. de Quim. Analítica Facultad de Farmacia Universidad de Valencia, C/Vicente Andres Estelles, E-46100 Burjassot, ValenciaGen. Analisis Mat. y Servicios S.L., ValenciaDepto. Quim. Tecnologica Aplicacao Instituto de Quimica Universidade Estadual Paulista, Rua Francisco Degni, Araraquara, SPDepto. Quim. Tecnologica Aplicacao Instituto de Quimica Universidade Estadual Paulista, Rua Francisco Degni, Araraquara, SPUniversidad de ValenciaMat. y Servicios S.L.Universidade Estadual Paulista (UNESP)Marzo, J. B.Medina-Hernández, M. J.Sagrado, S.Bonet, E.Gimenes, R. [UNESP]2022-04-28T19:53:14Z2022-04-28T19:53:14Z1998-01-01info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article323-336http://dx.doi.org/10.1002/(SICI)1099-128X(199809/10)12:5<323Journal of Chemometrics, v. 12, n. 5, p. 323-336, 1998.0886-9383http://hdl.handle.net/11449/22380710.1002/(SICI)1099-128X(199809/10)12:5<3232-s2.0-0000113897Scopusreponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESPengJournal of Chemometricsinfo:eu-repo/semantics/openAccess2022-04-28T19:53:14Zoai:repositorio.unesp.br:11449/223807Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestopendoar:29462022-04-28T19:53:14Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)false |
dc.title.none.fl_str_mv |
Multivariate quality control studies applied to Ca(II) and Mg(II) determination by a portable method |
title |
Multivariate quality control studies applied to Ca(II) and Mg(II) determination by a portable method |
spellingShingle |
Multivariate quality control studies applied to Ca(II) and Mg(II) determination by a portable method Marzo, J. B. Analysis of water Calcium and magnesium multicomponent analysis Multivariate statistical process control (MSPC) Partial least squares (PLS) regression Signal standardization |
title_short |
Multivariate quality control studies applied to Ca(II) and Mg(II) determination by a portable method |
title_full |
Multivariate quality control studies applied to Ca(II) and Mg(II) determination by a portable method |
title_fullStr |
Multivariate quality control studies applied to Ca(II) and Mg(II) determination by a portable method |
title_full_unstemmed |
Multivariate quality control studies applied to Ca(II) and Mg(II) determination by a portable method |
title_sort |
Multivariate quality control studies applied to Ca(II) and Mg(II) determination by a portable method |
author |
Marzo, J. B. |
author_facet |
Marzo, J. B. Medina-Hernández, M. J. Sagrado, S. Bonet, E. Gimenes, R. [UNESP] |
author_role |
author |
author2 |
Medina-Hernández, M. J. Sagrado, S. Bonet, E. Gimenes, R. [UNESP] |
author2_role |
author author author author |
dc.contributor.none.fl_str_mv |
Universidad de Valencia Mat. y Servicios S.L. Universidade Estadual Paulista (UNESP) |
dc.contributor.author.fl_str_mv |
Marzo, J. B. Medina-Hernández, M. J. Sagrado, S. Bonet, E. Gimenes, R. [UNESP] |
dc.subject.por.fl_str_mv |
Analysis of water Calcium and magnesium multicomponent analysis Multivariate statistical process control (MSPC) Partial least squares (PLS) regression Signal standardization |
topic |
Analysis of water Calcium and magnesium multicomponent analysis Multivariate statistical process control (MSPC) Partial least squares (PLS) regression Signal standardization |
description |
A portable or field test method for simultaneous spectrophotometric determination of calcium and magnesium in water using multivariate partial least squares (PLS) calibration methods is proposed. The method is based on the reaction between the analytes and methylthymol blue at pH 11. The spectral information was used as the X-block and the Ca(II) and Mg(II) concentrations obtained by a reference technique (ICP-AES) were used as the Y-block. Two series of analyses were performed, with a month's difference between them. The first series was used as the calibration set and the second one as the validation set. Multivariate statistical process control (MSPC) techniques based on statistics from principal component models, were used to study the features and evolution with time of the spectral signals. Signal standardization was used to correct the deviations between series Method validation was performed by comparing the predictions of the PLS model with the reference Ca(II) and Mg(II) concentrations determined by ICP-AES using the joint interval test for the slope and intercept of the regression line with errors in both axes. © 1998 John Wiley & Sons, Ltd. |
publishDate |
1998 |
dc.date.none.fl_str_mv |
1998-01-01 2022-04-28T19:53:14Z 2022-04-28T19:53:14Z |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://dx.doi.org/10.1002/(SICI)1099-128X(199809/10)12:5<323 Journal of Chemometrics, v. 12, n. 5, p. 323-336, 1998. 0886-9383 http://hdl.handle.net/11449/223807 10.1002/(SICI)1099-128X(199809/10)12:5<323 2-s2.0-0000113897 |
url |
http://dx.doi.org/10.1002/(SICI)1099-128X(199809/10)12:5<323 http://hdl.handle.net/11449/223807 |
identifier_str_mv |
Journal of Chemometrics, v. 12, n. 5, p. 323-336, 1998. 0886-9383 10.1002/(SICI)1099-128X(199809/10)12:5<323 2-s2.0-0000113897 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
Journal of Chemometrics |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
323-336 |
dc.source.none.fl_str_mv |
Scopus reponame:Repositório Institucional da UNESP instname:Universidade Estadual Paulista (UNESP) instacron:UNESP |
instname_str |
Universidade Estadual Paulista (UNESP) |
instacron_str |
UNESP |
institution |
UNESP |
reponame_str |
Repositório Institucional da UNESP |
collection |
Repositório Institucional da UNESP |
repository.name.fl_str_mv |
Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP) |
repository.mail.fl_str_mv |
|
_version_ |
1799964563281543168 |