Investigação de equilíbrios através de potenciometria e voltametria com resolução multivariada de curvas
Autor(a) principal: | |
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Data de Publicação: | 2012 |
Tipo de documento: | Tese |
Idioma: | por |
Título da fonte: | Manancial - Repositório Digital da UFSM |
dARK ID: | ark:/26339/001300000xt81 |
Texto Completo: | 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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Investigação de equilíbrios através de potenciometria e voltametria com resolução multivariada de curvasEquilibria investigation by potentiometry and voltammetry with multivariate curve resolutionPotenciometriaVoltametriaResolução multivariada de curvasConstantes de estabilidadePotentiometryVoltammetryMultivariate curve resolutionStability constantsCNPQ::CIENCIAS EXATAS E DA TERRA::QUIMICAThe 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.Universidade Federal de Santa MariaBRQuímicaUFSMPrograma de Pós-Graduação em QuímicaNascimento, 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/2555160404004505Missel, Josué da Rosa2017-05-182017-05-182012-03-09info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/doctoralThesisapplication/pdfapplication/pdfMISSEL, 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/1/4224ark:/26339/001300000xt81porinfo:eu-repo/semantics/openAccessreponame:Manancial - Repositório Digital da UFSMinstname:Universidade Federal de Santa Maria (UFSM)instacron:UFSM2023-06-14T19:05:39Zoai: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:2023-06-14T19:05:39Manancial - Repositório Digital da UFSM - Universidade Federal de Santa Maria (UFSM)false |
dc.title.none.fl_str_mv |
Investigação de equilíbrios através de potenciometria e voltametria com resolução multivariada de curvas 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.none.fl_str_mv |
Nascimento, Paulo Cícero do http://lattes.cnpq.br/7151513617218161 Guterres, Marcos Viero http://lattes.cnpq.br/5571501189229674 Nascimento, Denise Bohrer do http://lattes.cnpq.br/9817093263802769 Polli, Vania Regina Gabbi http://lattes.cnpq.br/7041863235772908 Jost, Cristiane Luisa http://lattes.cnpq.br/2555160404004505 |
dc.contributor.author.fl_str_mv |
Missel, Josué da Rosa |
dc.subject.por.fl_str_mv |
Potenciometria Voltametria Resolução multivariada de curvas Constantes de estabilidade Potentiometry Voltammetry Multivariate curve resolution Stability constants CNPQ::CIENCIAS EXATAS E DA TERRA::QUIMICA |
topic |
Potenciometria Voltametria Resolução multivariada de curvas Constantes de estabilidade Potentiometry Voltammetry Multivariate curve resolution Stability constants 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.none.fl_str_mv |
2012-03-09 2017-05-18 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.uri.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. http://repositorio.ufsm.br/handle/1/4224 |
dc.identifier.dark.fl_str_mv |
ark:/26339/001300000xt81 |
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. ark:/26339/001300000xt81 |
url |
http://repositorio.ufsm.br/handle/1/4224 |
dc.language.iso.fl_str_mv |
por |
language |
por |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
application/pdf application/pdf |
dc.publisher.none.fl_str_mv |
Universidade Federal de Santa Maria BR Química UFSM Programa de Pós-Graduação em Química |
publisher.none.fl_str_mv |
Universidade Federal de Santa Maria BR Química UFSM Programa de Pós-Graduação em Química |
dc.source.none.fl_str_mv |
reponame:Manancial - Repositório Digital da UFSM instname:Universidade Federal de Santa Maria (UFSM) instacron:UFSM |
instname_str |
Universidade Federal de Santa Maria (UFSM) |
instacron_str |
UFSM |
institution |
UFSM |
reponame_str |
Manancial - Repositório Digital da UFSM |
collection |
Manancial - Repositório Digital da UFSM |
repository.name.fl_str_mv |
Manancial - Repositório Digital da UFSM - Universidade Federal de Santa Maria (UFSM) |
repository.mail.fl_str_mv |
atendimento.sib@ufsm.br||tedebc@gmail.com |
_version_ |
1815172415131484160 |