Highly furosemide uptake employing magnetic graphene oxide: DFT modeling combined to experimental approach

dc.creatorOliveira, Guilherme
dc.creatorSchnorr, Carlos Eduardo
dc.creatorBastista Nunes, Franciane
dc.creatorda Rosa Salles, Theodoro
dc.creatorZancan Tonel, Mariana
dc.creatorBinotto Fagan, Solange
dc.creatorZanella da Silva, Ivana
dc.creatorSilva Oliveira, Luis Felipe
dc.creatorMortari, Sergio Roberto
dc.creatorDotto, Guilherme Luiz
dc.creatorBohn Rhoden, Cristiano Rodrigo
dc.date2023-09-07T16:32:37Z
dc.date2025
dc.date2023-09-07T16:32:37Z
dc.date2023
dc.date.accessioned2023-10-03T18:55:15Z
dc.date.available2023-10-03T18:55:15Z
dc.identifierGuilherme Oliveira Vargas, Carlos Schnorr, Franciane Bastista Nunes, Theodoro da Rosa Salles, Mariana Zancan Tonel, Solange Binotto Fagan, Ivana Zanella da Silva, Luis F.O. Silva, Sergio Roberto Mortari, Guilherme Luiz Dotto, Cristiano Rodrigo Bohn Rhoden, Highly furosemide uptake employing magnetic graphene oxide: DFT modeling combined to experimental approach, Journal of Molecular Liquids, Volume 379, 2023, 121652, ISSN 0167-7322, https://doi.org/10.1016/j.molliq.2023.121652.
dc.identifier0167-7322
dc.identifierhttps://hdl.handle.net/11323/10451
dc.identifier10.1016/j.molliq.2023.121652
dc.identifier1873-3166
dc.identifierCorporación Universidad de la Costa
dc.identifierREDICUC - Repositorio CUC
dc.identifierhttps://repositorio.cuc.edu.co/
dc.identifier.urihttps://repositorioslatinoamericanos.uchile.cl/handle/2250/9166130
dc.descriptionFurosemide (FUR) is a diuretic employed in hypertension treatment, this drug is excreted in unchanged form by human body which contributes to water contamination and toxic effects for humans and the environment. Due to the ineffective removal of this pollutant by conventional water treatment methods, this work reports a synthesis of magnetic graphene oxide (GO‧Fe3O4) with different amounts of iron nanoparticles for FUR adsorption. The nanomaterials were characterized by FTIR, XRD, SEM, Raman, and VSM techniques. DFT modeling and thermodynamic parameters show that the FUR adsorption is exothermic, favorable, and predominantly occurs in chemical interactions. The experimental study demonstrated that the best adsorbent was GO‧Fe3O4 1:1 showing a removal percentage and adsorption capacity of 96.15% and 96.91 mg g−1, respectively, at pH 3.0 and 293.15 K. The process was dependent on initial concentration, adsorbent dosage, and pH. ionic strength doesn’t significantly affect the adsorbent performance of GO‧Fe3O4 1:1. Sips and PSO model presented the best adjustment for experimental data, suggesting that the process occurs in a heterogeneous surface. Finally, GO‧Fe3O4 1:1 exhibited a high removal percentage after several cycles of adsorption/desorption.
dc.format1 página
dc.formatapplication/pdf
dc.formatapplication/pdf
dc.languageeng
dc.publisherElsevier
dc.publisherNetherlands
dc.relationJournal of Molecular Liquids
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dc.rights© 2023 Elsevier B.V. All rights reserved.
dc.rightsAtribución-NoComercial-SinDerivadas 4.0 Internacional (CC BY-NC-ND 4.0)
dc.rightshttps://creativecommons.org/licenses/by-nc-nd/4.0/
dc.rightsinfo:eu-repo/semantics/embargoedAccess
dc.rightshttp://purl.org/coar/access_right/c_f1cf
dc.sourcehttps://www.sciencedirect.com/science/article/abs/pii/S0167732223004555
dc.subjectFurosemide
dc.subjectMagnetic graphene oxide
dc.subjectDFT modeling
dc.titleHighly furosemide uptake employing magnetic graphene oxide: DFT modeling combined to experimental approach
dc.typeArtículo de revista
dc.typehttp://purl.org/coar/resource_type/c_2df8fbb1
dc.typeText
dc.typeinfo:eu-repo/semantics/article
dc.typehttp://purl.org/redcol/resource_type/ART
dc.typeinfo:eu-repo/semantics/draft
dc.typehttp://purl.org/coar/version/c_b1a7d7d4d402bcce


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