Cargando…

Integration of Response Surface Methodology (RSM) and Principal Component Analysis (PCA) as an Optimization Tool for Polymer Inclusion Membrane Based-Optodes Designed for Hg(II), Cd(II), and Pb(II)

An optimization of the composition of polymer inclusion membrane (PIM)-based optodes, and their exposure times to metal ion solutions (Hg(II), Cd(II), and Pb(II)) was performed using two different chromophores, diphenylthiocarbazone (dithizone) and 1-(2-pyridylazo)-2-naphthol (PAN). Four factors wer...

Descripción completa

Detalles Bibliográficos
Autores principales: García-Beleño, Jeniffer, Rodríguez de San Miguel, Eduardo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8070702/
https://www.ncbi.nlm.nih.gov/pubmed/33919742
http://dx.doi.org/10.3390/membranes11040288
_version_ 1783683531984076800
author García-Beleño, Jeniffer
Rodríguez de San Miguel, Eduardo
author_facet García-Beleño, Jeniffer
Rodríguez de San Miguel, Eduardo
author_sort García-Beleño, Jeniffer
collection PubMed
description An optimization of the composition of polymer inclusion membrane (PIM)-based optodes, and their exposure times to metal ion solutions (Hg(II), Cd(II), and Pb(II)) was performed using two different chromophores, diphenylthiocarbazone (dithizone) and 1-(2-pyridylazo)-2-naphthol (PAN). Four factors were evaluated (chromophore (0.06–1 mg), cellulose triacetate (25–100 mg) and plasticizer amounts (25–100 mg), and exposure time (20–80 min)). Derringer’s desirability functions values were employed as response variables to perform the optimization obtained from the results of three different processes of spectral data treatment: two full-spectrum methods (M1 and M3) and one band-based method (M2). The three different methods were compared using a heatmap of the coefficients and dendrograms of the Principal Component Analysis (PCA)reductions of their desirability functions. The final recommended M3 processing method, i.e., using the scores values of the first two principal components in PCA after subtraction of the normalized spectra of the membranes before and after complexation, gave more discernable differences between the PIMs in the Design of Experiments (DoE), as the nodes among samples appeared at longer distances and varyingly distributed in the dendrogram analysis. The optimal values were time of 35–65 min, 0.53 mg–1.0 mg of chromophores, plasticizers 34.4–71.9 of chromophores, and 62.5–100 mg of CTA, depending on the metal ion. In addition, the method yielded the best outcomes in terms of interpretability and an easily discernable color change so that it is recommended as a novel optimization method for this kind of PIM optode.
format Online
Article
Text
id pubmed-8070702
institution National Center for Biotechnology Information
language English
publishDate 2021
publisher MDPI
record_format MEDLINE/PubMed
spelling pubmed-80707022021-04-26 Integration of Response Surface Methodology (RSM) and Principal Component Analysis (PCA) as an Optimization Tool for Polymer Inclusion Membrane Based-Optodes Designed for Hg(II), Cd(II), and Pb(II) García-Beleño, Jeniffer Rodríguez de San Miguel, Eduardo Membranes (Basel) Article An optimization of the composition of polymer inclusion membrane (PIM)-based optodes, and their exposure times to metal ion solutions (Hg(II), Cd(II), and Pb(II)) was performed using two different chromophores, diphenylthiocarbazone (dithizone) and 1-(2-pyridylazo)-2-naphthol (PAN). Four factors were evaluated (chromophore (0.06–1 mg), cellulose triacetate (25–100 mg) and plasticizer amounts (25–100 mg), and exposure time (20–80 min)). Derringer’s desirability functions values were employed as response variables to perform the optimization obtained from the results of three different processes of spectral data treatment: two full-spectrum methods (M1 and M3) and one band-based method (M2). The three different methods were compared using a heatmap of the coefficients and dendrograms of the Principal Component Analysis (PCA)reductions of their desirability functions. The final recommended M3 processing method, i.e., using the scores values of the first two principal components in PCA after subtraction of the normalized spectra of the membranes before and after complexation, gave more discernable differences between the PIMs in the Design of Experiments (DoE), as the nodes among samples appeared at longer distances and varyingly distributed in the dendrogram analysis. The optimal values were time of 35–65 min, 0.53 mg–1.0 mg of chromophores, plasticizers 34.4–71.9 of chromophores, and 62.5–100 mg of CTA, depending on the metal ion. In addition, the method yielded the best outcomes in terms of interpretability and an easily discernable color change so that it is recommended as a novel optimization method for this kind of PIM optode. MDPI 2021-04-14 /pmc/articles/PMC8070702/ /pubmed/33919742 http://dx.doi.org/10.3390/membranes11040288 Text en © 2021 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
García-Beleño, Jeniffer
Rodríguez de San Miguel, Eduardo
Integration of Response Surface Methodology (RSM) and Principal Component Analysis (PCA) as an Optimization Tool for Polymer Inclusion Membrane Based-Optodes Designed for Hg(II), Cd(II), and Pb(II)
title Integration of Response Surface Methodology (RSM) and Principal Component Analysis (PCA) as an Optimization Tool for Polymer Inclusion Membrane Based-Optodes Designed for Hg(II), Cd(II), and Pb(II)
title_full Integration of Response Surface Methodology (RSM) and Principal Component Analysis (PCA) as an Optimization Tool for Polymer Inclusion Membrane Based-Optodes Designed for Hg(II), Cd(II), and Pb(II)
title_fullStr Integration of Response Surface Methodology (RSM) and Principal Component Analysis (PCA) as an Optimization Tool for Polymer Inclusion Membrane Based-Optodes Designed for Hg(II), Cd(II), and Pb(II)
title_full_unstemmed Integration of Response Surface Methodology (RSM) and Principal Component Analysis (PCA) as an Optimization Tool for Polymer Inclusion Membrane Based-Optodes Designed for Hg(II), Cd(II), and Pb(II)
title_short Integration of Response Surface Methodology (RSM) and Principal Component Analysis (PCA) as an Optimization Tool for Polymer Inclusion Membrane Based-Optodes Designed for Hg(II), Cd(II), and Pb(II)
title_sort integration of response surface methodology (rsm) and principal component analysis (pca) as an optimization tool for polymer inclusion membrane based-optodes designed for hg(ii), cd(ii), and pb(ii)
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8070702/
https://www.ncbi.nlm.nih.gov/pubmed/33919742
http://dx.doi.org/10.3390/membranes11040288
work_keys_str_mv AT garciabelenojeniffer integrationofresponsesurfacemethodologyrsmandprincipalcomponentanalysispcaasanoptimizationtoolforpolymerinclusionmembranebasedoptodesdesignedforhgiicdiiandpbii
AT rodriguezdesanmigueleduardo integrationofresponsesurfacemethodologyrsmandprincipalcomponentanalysispcaasanoptimizationtoolforpolymerinclusionmembranebasedoptodesdesignedforhgiicdiiandpbii