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http://hdl.handle.net/1843/50326| Type: | Artigo de Periódico |
| Title: | ESI-MS, UV-Vis, and theoretical investigation of Fe3+-amoxicillin complexation during coagulation |
| Authors: | Thaís Helena de Oliveira Norte Rafaela Brito Portela Marcelino Renata Pereira Lopes Moreira Ildefonso Binatti Maria Clara Vieira Martins Starling Camila Costa de Amorim Amaral Eufrasia de Sousa Pereira Willian Ricardo Rocha Rochel Montero Lago |
| Abstract: | In 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. |
| Subject: | Físico-química Antibióticos Antibióticos beta-lactâmicos Íons de ferro Funcionais de densidade Espectrometria de massa Espectroscopia de ultravioleta Espectroscopia visível |
| language: | eng |
| metadata.dc.publisher.country: | Brasil |
| Publisher: | Universidade Federal de Minas Gerais |
| Publisher Initials: | UFMG |
| metadata.dc.publisher.department: | ENG - DEPARTAMENTO DE ENGENHARIA SANITÁRIA E AMBIENTAL ICX - DEPARTAMENTO DE QUÍMICA |
| Rights: | Acesso Restrito |
| metadata.dc.identifier.doi: | https://doi.org/10.1061/(ASCE)EE.1943-7870.0001314 |
| URI: | http://hdl.handle.net/1843/50326 |
| Issue Date: | Mar-2018 |
| metadata.dc.url.externa: | https://ascelibrary.org/doi/10.1061/%28ASCE%29EE.1943-7870.0001314 |
| Appears in Collections: | Artigo de Periódico |
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