Investigação de equilíbrios através de potenciometria e voltametria com resolução multivariada de curvas
Ano de defesa: | 2012 |
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Autor(a) principal: | |
Orientador(a): | |
Banca de defesa: | , , , |
Tipo de documento: | Tese |
Tipo de acesso: | Acesso aberto |
Idioma: | por |
Instituição de defesa: |
Universidade Federal de Santa Maria
|
Programa de Pós-Graduação: |
Programa de Pós-Graduação em Química
|
Departamento: |
Química
|
País: |
BR
|
Palavras-chave em Português: | |
Palavras-chave em Inglês: | |
Área do conhecimento CNPq: | |
Link de acesso: | http://repositorio.ufsm.br/handle/1/4224 |
Resumo: | The interaction between the amino acid glutathione (GSH) and zinc (II) and cadmium (II) ions was investigated using data obtained by potentiometric and voltammetric measurements. Solutions with ionic strength 0.1 M KCl with different metal-ligand ratios were titrated with standard solution of KOH and the pH profiles obtained were used to propose models of chemical equilibrium between the species. The potentiometric data treatment was performed using the Hyperquad software, which enabled that the formation constants of the differents pecies could be refined. The program HySS,belonging to the Hyperquad computer package, was used to obtain the species distribution curves. The best fit models of equilibrium was reached suggesting the existence of species in which the metal ions were coordinated by one and two molecules of the ligand, and the highest values were found for log β complex type MH2L, MHL2 and ML2. For the voltammetric data, multivariate curve resolution with alternating least squares (MCR-ALS) was applied. Several voltammograms recorded at different metal-ligand ratios generated a series of overlapping peaks, from which it was possible to recover the pure voltammograms and their concentration profiles applying non-negativity, unimodality and "closure" as constraints. For both systems studied (GSH-Zn and GSH-Cd), voltammograms were resolved to three components, the free metal and two complexes. The potentiometric and voltammetric data treated with MCR-ALS were capable to complement one another, constituting a important tool in the investigation of chemical equilibria between metal ions and ligands. |
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2017-05-182017-05-182012-03-09MISSEL, Josué da Rosa. Equilibria investigation by potentiometry and voltammetry with multivariate curve resolution. 2012. 129 f. Tese (Doutorado em Química) - Universidade Federal de Santa Maria, Santa Maria, 2012.http://repositorio.ufsm.br/handle/1/4224The interaction between the amino acid glutathione (GSH) and zinc (II) and cadmium (II) ions was investigated using data obtained by potentiometric and voltammetric measurements. Solutions with ionic strength 0.1 M KCl with different metal-ligand ratios were titrated with standard solution of KOH and the pH profiles obtained were used to propose models of chemical equilibrium between the species. The potentiometric data treatment was performed using the Hyperquad software, which enabled that the formation constants of the differents pecies could be refined. The program HySS,belonging to the Hyperquad computer package, was used to obtain the species distribution curves. The best fit models of equilibrium was reached suggesting the existence of species in which the metal ions were coordinated by one and two molecules of the ligand, and the highest values were found for log β complex type MH2L, MHL2 and ML2. For the voltammetric data, multivariate curve resolution with alternating least squares (MCR-ALS) was applied. Several voltammograms recorded at different metal-ligand ratios generated a series of overlapping peaks, from which it was possible to recover the pure voltammograms and their concentration profiles applying non-negativity, unimodality and "closure" as constraints. For both systems studied (GSH-Zn and GSH-Cd), voltammograms were resolved to three components, the free metal and two complexes. The potentiometric and voltammetric data treated with MCR-ALS were capable to complement one another, constituting a important tool in the investigation of chemical equilibria between metal ions and ligands.A interação entre o aminoácido glutationa (GSH) e os íons zinco (II) e cádmio (II) foi investigada a partir de dados obtidos por medidas potenciométricas e voltamétricas. Soluções com força iônica 0,1 M de KCl de diferentes proporções metal-ligante foram tituladas com solução padrão de KOH e os perfis de pH assim obtidos foram usados para propor os modelos de equilíbrio químico entre as espécies. Para tratar os dados potenciométricos foi utilizado o programa Hyperquad, possibilitando que as constantes de formação das diferentes espécies pudessem ser refinadas. O programa HySS, pertencente ao pacote computacional do Hyperquad, foi utilizado para obtenção as curvas de distribuição das espécies. O melhor ajuste dos modelos de equilíbrio foi alcançado propondo a existência de espécies em que os íons metálicos foram coordenados por uma e duas moléculas do ligante, sendo que os maiores valores de log β foram encontrados para os complexos do tipo MH2L, MHL2 e ML2. Para os dados voltamétricos, foi aplicado o método de resolução multivariada de curvas com mínimos quadrados alternantes (MCR-ALS). Vários voltamogramas registrados a diferentes proporções metal-ligante geraram uma série de picos sobrepostos, a partir dos quais foi possível recuperar os voltamogramas puros e respectivos perfis de concentração aplicando não negatividade, unimodalidade e closure como restrições. Para ambos os sistemas estudados (GSH-Zn e GSH-Cd) os voltamogramas foram resolvidos para três componentes, o metal livre e dois complexos. A potenciometria e a voltametria submetida a MCR-ALS mostraram-se capazes de se complementarem, constituindo-se em grandes ferramentas na investigação de equilíbrios químicos entre íons metálicos e ligantes.application/pdfporUniversidade Federal de Santa MariaPrograma de Pós-Graduação em QuímicaUFSMBRQuímicaPotenciometriaVoltametriaResolução multivariada de curvasConstantes de estabilidadePotentiometryVoltammetryMultivariate curve resolutionStability constantsCNPQ::CIENCIAS EXATAS E DA TERRA::QUIMICAInvestigação de equilíbrios através de potenciometria e voltametria com resolução multivariada de curvasEquilibria investigation by potentiometry and voltammetry with multivariate curve resolutioninfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/doctoralThesisNascimento, Paulo Cícero dohttp://lattes.cnpq.br/7151513617218161Guterres, Marcos Vierohttp://lattes.cnpq.br/5571501189229674Nascimento, Denise Bohrer dohttp://lattes.cnpq.br/9817093263802769Polli, Vania Regina Gabbihttp://lattes.cnpq.br/7041863235772908Jost, Cristiane Luisahttp://lattes.cnpq.br/2555160404004505http://lattes.cnpq.br/3785668670924153Missel, Josué da Rosa1006000000004003003003005003003002042fb16-c273-4428-8d59-fe233e346cbb0a6aec6a-f8f3-449d-be49-972e92e8491f9f936fe7-084c-4d92-a69b-2bd92136e4a7a0365ab3-7f3b-47bb-87ee-3e2a274cc32909099cf8-e68d-4dfd-bb30-0ed3e40c8819447bef72-3e12-46b5-994e-9c933954b7a6info:eu-repo/semantics/openAccessreponame:Biblioteca Digital de Teses e Dissertações do UFSMinstname:Universidade Federal de Santa Maria (UFSM)instacron:UFSMORIGINALMISSEL, JOSUE DA ROSA.pdfTese de Doutoradoapplication/pdf1871722http://repositorio.ufsm.br/bitstream/1/4224/1/MISSEL%2c%20JOSUE%20DA%20ROSA.pdfc8c1a5fc9b5104ba6bcf406e9a4b8600MD51TEXTMISSEL, JOSUE DA ROSA.pdf.txtMISSEL, JOSUE DA ROSA.pdf.txtExtracted texttext/plain182934http://repositorio.ufsm.br/bitstream/1/4224/2/MISSEL%2c%20JOSUE%20DA%20ROSA.pdf.txt58ea1f916eb3f2a7085e2727db808008MD52THUMBNAILMISSEL, JOSUE DA ROSA.pdf.jpgMISSEL, JOSUE DA ROSA.pdf.jpgIM Thumbnailimage/jpeg5129http://repositorio.ufsm.br/bitstream/1/4224/3/MISSEL%2c%20JOSUE%20DA%20ROSA.pdf.jpge89a52b13d22fc182bda38c60862ca3dMD531/42242023-06-14 16:05:39.348oai:repositorio.ufsm.br:1/4224Biblioteca Digital de Teses e Dissertaçõeshttps://repositorio.ufsm.br/ONGhttps://repositorio.ufsm.br/oai/requestatendimento.sib@ufsm.br||tedebc@gmail.comopendoar:2023-06-14T19:05:39Biblioteca Digital de Teses e Dissertações do UFSM - Universidade Federal de Santa Maria (UFSM)false |
dc.title.por.fl_str_mv |
Investigação de equilíbrios através de potenciometria e voltametria com resolução multivariada de curvas |
dc.title.alternative.eng.fl_str_mv |
Equilibria investigation by potentiometry and voltammetry with multivariate curve resolution |
title |
Investigação de equilíbrios através de potenciometria e voltametria com resolução multivariada de curvas |
spellingShingle |
Investigação de equilíbrios através de potenciometria e voltametria com resolução multivariada de curvas Missel, Josué da Rosa Potenciometria Voltametria Resolução multivariada de curvas Constantes de estabilidade Potentiometry Voltammetry Multivariate curve resolution Stability constants CNPQ::CIENCIAS EXATAS E DA TERRA::QUIMICA |
title_short |
Investigação de equilíbrios através de potenciometria e voltametria com resolução multivariada de curvas |
title_full |
Investigação de equilíbrios através de potenciometria e voltametria com resolução multivariada de curvas |
title_fullStr |
Investigação de equilíbrios através de potenciometria e voltametria com resolução multivariada de curvas |
title_full_unstemmed |
Investigação de equilíbrios através de potenciometria e voltametria com resolução multivariada de curvas |
title_sort |
Investigação de equilíbrios através de potenciometria e voltametria com resolução multivariada de curvas |
author |
Missel, Josué da Rosa |
author_facet |
Missel, Josué da Rosa |
author_role |
author |
dc.contributor.advisor1.fl_str_mv |
Nascimento, Paulo Cícero do |
dc.contributor.advisor1Lattes.fl_str_mv |
http://lattes.cnpq.br/7151513617218161 |
dc.contributor.referee1.fl_str_mv |
Guterres, Marcos Viero |
dc.contributor.referee1Lattes.fl_str_mv |
http://lattes.cnpq.br/5571501189229674 |
dc.contributor.referee2.fl_str_mv |
Nascimento, Denise Bohrer do |
dc.contributor.referee2Lattes.fl_str_mv |
http://lattes.cnpq.br/9817093263802769 |
dc.contributor.referee3.fl_str_mv |
Polli, Vania Regina Gabbi |
dc.contributor.referee3Lattes.fl_str_mv |
http://lattes.cnpq.br/7041863235772908 |
dc.contributor.referee4.fl_str_mv |
Jost, Cristiane Luisa |
dc.contributor.referee4Lattes.fl_str_mv |
http://lattes.cnpq.br/2555160404004505 |
dc.contributor.authorLattes.fl_str_mv |
http://lattes.cnpq.br/3785668670924153 |
dc.contributor.author.fl_str_mv |
Missel, Josué da Rosa |
contributor_str_mv |
Nascimento, Paulo Cícero do Guterres, Marcos Viero Nascimento, Denise Bohrer do Polli, Vania Regina Gabbi Jost, Cristiane Luisa |
dc.subject.por.fl_str_mv |
Potenciometria Voltametria Resolução multivariada de curvas Constantes de estabilidade |
topic |
Potenciometria Voltametria Resolução multivariada de curvas Constantes de estabilidade Potentiometry Voltammetry Multivariate curve resolution Stability constants CNPQ::CIENCIAS EXATAS E DA TERRA::QUIMICA |
dc.subject.eng.fl_str_mv |
Potentiometry Voltammetry Multivariate curve resolution Stability constants |
dc.subject.cnpq.fl_str_mv |
CNPQ::CIENCIAS EXATAS E DA TERRA::QUIMICA |
description |
The interaction between the amino acid glutathione (GSH) and zinc (II) and cadmium (II) ions was investigated using data obtained by potentiometric and voltammetric measurements. Solutions with ionic strength 0.1 M KCl with different metal-ligand ratios were titrated with standard solution of KOH and the pH profiles obtained were used to propose models of chemical equilibrium between the species. The potentiometric data treatment was performed using the Hyperquad software, which enabled that the formation constants of the differents pecies could be refined. The program HySS,belonging to the Hyperquad computer package, was used to obtain the species distribution curves. The best fit models of equilibrium was reached suggesting the existence of species in which the metal ions were coordinated by one and two molecules of the ligand, and the highest values were found for log β complex type MH2L, MHL2 and ML2. For the voltammetric data, multivariate curve resolution with alternating least squares (MCR-ALS) was applied. Several voltammograms recorded at different metal-ligand ratios generated a series of overlapping peaks, from which it was possible to recover the pure voltammograms and their concentration profiles applying non-negativity, unimodality and "closure" as constraints. For both systems studied (GSH-Zn and GSH-Cd), voltammograms were resolved to three components, the free metal and two complexes. The potentiometric and voltammetric data treated with MCR-ALS were capable to complement one another, constituting a important tool in the investigation of chemical equilibria between metal ions and ligands. |
publishDate |
2012 |
dc.date.issued.fl_str_mv |
2012-03-09 |
dc.date.accessioned.fl_str_mv |
2017-05-18 |
dc.date.available.fl_str_mv |
2017-05-18 |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/doctoralThesis |
format |
doctoralThesis |
status_str |
publishedVersion |
dc.identifier.citation.fl_str_mv |
MISSEL, Josué da Rosa. Equilibria investigation by potentiometry and voltammetry with multivariate curve resolution. 2012. 129 f. Tese (Doutorado em Química) - Universidade Federal de Santa Maria, Santa Maria, 2012. |
dc.identifier.uri.fl_str_mv |
http://repositorio.ufsm.br/handle/1/4224 |
identifier_str_mv |
MISSEL, Josué da Rosa. Equilibria investigation by potentiometry and voltammetry with multivariate curve resolution. 2012. 129 f. Tese (Doutorado em Química) - Universidade Federal de Santa Maria, Santa Maria, 2012. |
url |
http://repositorio.ufsm.br/handle/1/4224 |
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por |
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Química |
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Universidade Federal de Santa Maria |
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