Chemical, spectroscopic characterization, molecular modeling and antibacterial activity assays of a silver (I) complex with succinic acid
Autor(a) principal: | |
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Data de Publicação: | 2021 |
Outros Autores: | , , , , , , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Institucional da UNESP |
Texto Completo: | http://dx.doi.org/10.26850/1678-4618eqj.v46.2.2021.p26-35 http://hdl.handle.net/11449/233119 |
Resumo: | A silver(I) complex with succinic acid in the form of succinate is presented. Chemical characterization confirms the molecular composition Ag2C4H4O4 for the complex. Infrared spectra suggest a bidentate coordination of both carboxylate groups of succinates to the two Ag(I) ions. Density functional theory (DFT) studies were used in the structures of succinic acid and Ag(I) succinate complex with coordination formula [Ag2(C4H4O4)] in order to optimize them to their minimum energy. The studies confirmed that each carboxylate group of the succinate anion is coordinated to one silver atom by the two oxygen in a bidentate mode and the bond lengths O···Ag theoretically determined range from 2.325 to 2.338 Å. The complex [Ag2(C4H4O4)] showed in vitro antibacterial activity against the bacterial strains of Staphylococcus aureus, Bacillus cereus, Escherichia coli and Pseudomonas aeruginosa complex. Anti-Mycobacterium tuberculosis analyses were also performed and the [Ag2(C4H4O4)] complex was shown to be active over M. tuberculosis H37Rv strain with MIC90 of 23.94 μg mL-1 while succinic acid itself showed a value higher than 25.00 μg mL-1. |
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Chemical, spectroscopic characterization, molecular modeling and antibacterial activity assays of a silver (I) complex with succinic acidAntibacterial activityDFTMycobacterium tuberculosisSilver complexSuccinic acidA silver(I) complex with succinic acid in the form of succinate is presented. Chemical characterization confirms the molecular composition Ag2C4H4O4 for the complex. Infrared spectra suggest a bidentate coordination of both carboxylate groups of succinates to the two Ag(I) ions. Density functional theory (DFT) studies were used in the structures of succinic acid and Ag(I) succinate complex with coordination formula [Ag2(C4H4O4)] in order to optimize them to their minimum energy. The studies confirmed that each carboxylate group of the succinate anion is coordinated to one silver atom by the two oxygen in a bidentate mode and the bond lengths O···Ag theoretically determined range from 2.325 to 2.338 Å. The complex [Ag2(C4H4O4)] showed in vitro antibacterial activity against the bacterial strains of Staphylococcus aureus, Bacillus cereus, Escherichia coli and Pseudomonas aeruginosa complex. Anti-Mycobacterium tuberculosis analyses were also performed and the [Ag2(C4H4O4)] complex was shown to be active over M. tuberculosis H37Rv strain with MIC90 of 23.94 μg mL-1 while succinic acid itself showed a value higher than 25.00 μg mL-1.University of Araraquara Graduate Program in Biotechnology in Regenerative Medicine and Medicinal ChemistryUniversity of Araraquara Medicine CourseSão Paulo State University Institute of ChemistrySão Paulo State University School of Pharmaceutical SciencesUniversity of Campinas Institute of ChemistryFederal University of Tocantins Chemistry CollegiateSão Paulo State University Institute of ChemistrySão Paulo State University School of Pharmaceutical SciencesGraduate Program in Biotechnology in Regenerative Medicine and Medicinal ChemistryMedicine CourseUniversidade Estadual Paulista (UNESP)Universidade Estadual de Campinas (UNICAMP)Chemistry CollegiateParis, José AlbertoSalvador Rocchi, Ana JúliaBiagioni, Bruno TorquatoCavicchioli, Maurício [UNESP]Amaral Machado, Rachel Temperani [UNESP]Pavan, Fernando Rogério [UNESP]Corbi, Pedro PauloLustri, Wilton RogérioPereira, Douglas HenriqueMassabni, Antonio Carlos [UNESP]2022-05-01T03:58:58Z2022-05-01T03:58:58Z2021-01-01info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article26-35http://dx.doi.org/10.26850/1678-4618eqj.v46.2.2021.p26-35Ecletica Quimica, v. 46, n. 2, p. 26-35, 2021.1678-46180100-4670http://hdl.handle.net/11449/23311910.26850/1678-4618eqj.v46.2.2021.p26-352-s2.0-85104252376Scopusreponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESPengEcletica Quimicainfo:eu-repo/semantics/openAccess2024-06-24T13:07:14Zoai:repositorio.unesp.br:11449/233119Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestopendoar:29462024-08-05T15:45:32.758553Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)false |
dc.title.none.fl_str_mv |
Chemical, spectroscopic characterization, molecular modeling and antibacterial activity assays of a silver (I) complex with succinic acid |
title |
Chemical, spectroscopic characterization, molecular modeling and antibacterial activity assays of a silver (I) complex with succinic acid |
spellingShingle |
Chemical, spectroscopic characterization, molecular modeling and antibacterial activity assays of a silver (I) complex with succinic acid Paris, José Alberto Antibacterial activity DFT Mycobacterium tuberculosis Silver complex Succinic acid |
title_short |
Chemical, spectroscopic characterization, molecular modeling and antibacterial activity assays of a silver (I) complex with succinic acid |
title_full |
Chemical, spectroscopic characterization, molecular modeling and antibacterial activity assays of a silver (I) complex with succinic acid |
title_fullStr |
Chemical, spectroscopic characterization, molecular modeling and antibacterial activity assays of a silver (I) complex with succinic acid |
title_full_unstemmed |
Chemical, spectroscopic characterization, molecular modeling and antibacterial activity assays of a silver (I) complex with succinic acid |
title_sort |
Chemical, spectroscopic characterization, molecular modeling and antibacterial activity assays of a silver (I) complex with succinic acid |
author |
Paris, José Alberto |
author_facet |
Paris, José Alberto Salvador Rocchi, Ana Júlia Biagioni, Bruno Torquato Cavicchioli, Maurício [UNESP] Amaral Machado, Rachel Temperani [UNESP] Pavan, Fernando Rogério [UNESP] Corbi, Pedro Paulo Lustri, Wilton Rogério Pereira, Douglas Henrique Massabni, Antonio Carlos [UNESP] |
author_role |
author |
author2 |
Salvador Rocchi, Ana Júlia Biagioni, Bruno Torquato Cavicchioli, Maurício [UNESP] Amaral Machado, Rachel Temperani [UNESP] Pavan, Fernando Rogério [UNESP] Corbi, Pedro Paulo Lustri, Wilton Rogério Pereira, Douglas Henrique Massabni, Antonio Carlos [UNESP] |
author2_role |
author author author author author author author author author |
dc.contributor.none.fl_str_mv |
Graduate Program in Biotechnology in Regenerative Medicine and Medicinal Chemistry Medicine Course Universidade Estadual Paulista (UNESP) Universidade Estadual de Campinas (UNICAMP) Chemistry Collegiate |
dc.contributor.author.fl_str_mv |
Paris, José Alberto Salvador Rocchi, Ana Júlia Biagioni, Bruno Torquato Cavicchioli, Maurício [UNESP] Amaral Machado, Rachel Temperani [UNESP] Pavan, Fernando Rogério [UNESP] Corbi, Pedro Paulo Lustri, Wilton Rogério Pereira, Douglas Henrique Massabni, Antonio Carlos [UNESP] |
dc.subject.por.fl_str_mv |
Antibacterial activity DFT Mycobacterium tuberculosis Silver complex Succinic acid |
topic |
Antibacterial activity DFT Mycobacterium tuberculosis Silver complex Succinic acid |
description |
A silver(I) complex with succinic acid in the form of succinate is presented. Chemical characterization confirms the molecular composition Ag2C4H4O4 for the complex. Infrared spectra suggest a bidentate coordination of both carboxylate groups of succinates to the two Ag(I) ions. Density functional theory (DFT) studies were used in the structures of succinic acid and Ag(I) succinate complex with coordination formula [Ag2(C4H4O4)] in order to optimize them to their minimum energy. The studies confirmed that each carboxylate group of the succinate anion is coordinated to one silver atom by the two oxygen in a bidentate mode and the bond lengths O···Ag theoretically determined range from 2.325 to 2.338 Å. The complex [Ag2(C4H4O4)] showed in vitro antibacterial activity against the bacterial strains of Staphylococcus aureus, Bacillus cereus, Escherichia coli and Pseudomonas aeruginosa complex. Anti-Mycobacterium tuberculosis analyses were also performed and the [Ag2(C4H4O4)] complex was shown to be active over M. tuberculosis H37Rv strain with MIC90 of 23.94 μg mL-1 while succinic acid itself showed a value higher than 25.00 μg mL-1. |
publishDate |
2021 |
dc.date.none.fl_str_mv |
2021-01-01 2022-05-01T03:58:58Z 2022-05-01T03:58:58Z |
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/10.26850/1678-4618eqj.v46.2.2021.p26-35 Ecletica Quimica, v. 46, n. 2, p. 26-35, 2021. 1678-4618 0100-4670 http://hdl.handle.net/11449/233119 10.26850/1678-4618eqj.v46.2.2021.p26-35 2-s2.0-85104252376 |
url |
http://dx.doi.org/10.26850/1678-4618eqj.v46.2.2021.p26-35 http://hdl.handle.net/11449/233119 |
identifier_str_mv |
Ecletica Quimica, v. 46, n. 2, p. 26-35, 2021. 1678-4618 0100-4670 10.26850/1678-4618eqj.v46.2.2021.p26-35 2-s2.0-85104252376 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
Ecletica Quimica |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
26-35 |
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 |
|
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1808128557306609664 |