Investigação de equilíbrios através de potenciometria e voltametria com resolução multivariada de curvas

Detalhes bibliográficos
Autor(a) principal: Missel, Josué da Rosa
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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spelling 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
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