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Please use this identifier to cite or link to this item: http://hdl.handle.net/1843/50326
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dc.creatorThaís Helena de Oliveira Nortept_BR
dc.creatorRafaela Brito Portela Marcelinopt_BR
dc.creatorRenata Pereira Lopes Moreirapt_BR
dc.creatorIldefonso Binattipt_BR
dc.creatorMaria Clara Vieira Martins Starlingpt_BR
dc.creatorCamila Costa de Amorim Amaralpt_BR
dc.creatorEufrasia de Sousa Pereirapt_BR
dc.creatorWillian Ricardo Rochapt_BR
dc.creatorRochel Montero Lagopt_BR
dc.date.accessioned2023-02-23T17:22:08Z-
dc.date.available2023-02-23T17:22:08Z-
dc.date.issued2018-03-
dc.citation.volume144pt_BR
dc.citation.issue3pt_BR
dc.identifier.doihttps://doi.org/10.1061/(ASCE)EE.1943-7870.0001314pt_BR
dc.identifier.issn1943-7870pt_BR
dc.identifier.urihttp://hdl.handle.net/1843/50326-
dc.description.resumoIn this work, the complexation of the hazardous β-lactamic antibiotic amoxicillin (AMX) with Fe³+ ions during coagulation was investigated. New bands in the ultraviolet-visible (UV-vis) spectra suggested that AMX molecules bind to Fe³+aq and also displace ligands from a stable Fe thiocyanate complex. Electrospray ionization mass spectrometry (ESI-MS) showed strong signals at m/z=784 and 816, corresponding to the [Fe+(2AMX−2H)]+ and [Fe+(2AMX−2H)+CH3OH]+ species, respectively, also indicating the complexation of Fe³+ with AMX molecules. Density functional theory (DFT) calculations showed that among the different coordination modes of AMX to Fe³+, complexation via the carboxylate group is more stable and less sterically hindered. These results suggest that during coagulation, the Fe³+-AMX complexation-form stable intermediates are probably bound/trapped in the iron hydroxide precipitate. As a result of this process, significant amounts of AMX (approximately 69%) can be removed from aqueous solution. Experiments with heavily contaminated pharmaceutical industrial wastewaters showed very promising results with a strong decrease in AMX, TOC, and acute toxicity.pt_BR
dc.description.sponsorshipCNPq - Conselho Nacional de Desenvolvimento Científico e Tecnológicopt_BR
dc.description.sponsorshipFAPEMIG - Fundação de Amparo à Pesquisa do Estado de Minas Geraispt_BR
dc.description.sponsorshipCAPES - Coordenação de Aperfeiçoamento de Pessoal de Nível Superiorpt_BR
dc.description.sponsorshipOutra Agênciapt_BR
dc.languageengpt_BR
dc.publisherUniversidade Federal de Minas Geraispt_BR
dc.publisher.countryBrasilpt_BR
dc.publisher.departmentENG - DEPARTAMENTO DE ENGENHARIA SANITÁRIA E AMBIENTALpt_BR
dc.publisher.departmentICX - DEPARTAMENTO DE QUÍMICApt_BR
dc.publisher.initialsUFMGpt_BR
dc.rightsAcesso Restritopt_BR
dc.subjectAntibioticpt_BR
dc.subjectAmoxicillinpt_BR
dc.subjectFe3+ complexationpt_BR
dc.subjectUV-vis absorbancept_BR
dc.subjectElectrospray ionization mass spectrometry (ESI-MS)pt_BR
dc.subjectDFT calculationspt_BR
dc.subject.otherFísico-químicapt_BR
dc.subject.otherAntibióticospt_BR
dc.subject.otherAntibióticos beta-lactâmicospt_BR
dc.subject.otherÍons de ferropt_BR
dc.subject.otherFuncionais de densidadept_BR
dc.subject.otherEspectrometria de massapt_BR
dc.subject.otherEspectroscopia de ultravioletapt_BR
dc.subject.otherEspectroscopia visívelpt_BR
dc.titleESI-MS, UV-Vis, and theoretical investigation of Fe3+-amoxicillin complexation during coagulationpt_BR
dc.typeArtigo de Periódicopt_BR
dc.url.externahttps://ascelibrary.org/doi/10.1061/%28ASCE%29EE.1943-7870.0001314pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0003-2849-0155pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0003-1049-8300pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0002-0454-0026pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0002-1942-7173pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0001-6132-0866pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0001-7543-5859pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0002-0025-2158pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0002-7145-6342pt_BR
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