Disclosing the Biocide Activity of α-Ag2−2xCuxWO4 (0 ≤ x ≤ 0.16) Solid Solutions

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dc.contributor.authorPereira, Paula Fabiana dos Santos
dc.contributor.authorDe Foggi, Camila Cristina
dc.contributor.authorGouveia, Amanda Fernandes
dc.contributor.authorPinatti, Ivo Mateus
dc.contributor.authorCabral, Luís Antônio
dc.contributor.authorGuillamon, Eva
dc.contributor.authorSorribes, Iván
dc.contributor.authorSan-Miguel, Miguel A.
dc.contributor.authorVergani, Carlos Eduardo [UNESP]
dc.contributor.authorSimões, Alexandre Zirpoli [UNESP]
dc.contributor.authorda Silva, Edison Z.
dc.contributor.authorCavalcante, Laécio Santos
dc.contributor.authorLlusar, Rosa
dc.contributor.authorLongo, Elson
dc.contributor.authorAndrés, Juan
dc.contributor.institutionUniversidade Federal de São Carlos (UFSCar)
dc.contributor.institutionUniversity Jaume I (UJI)
dc.contributor.institutionFederal University of Rio Grande do Sul
dc.contributor.institutionUniversidade Estadual de Campinas (UNICAMP)
dc.contributor.institutionFederal University of Maranhao
dc.contributor.institutionUniversidade Estadual Paulista (UNESP)
dc.contributor.institutionUniversidade Estadual do Piauí
dc.date.accessioned2023-07-29T13:22:56Z
dc.date.available2023-07-29T13:22:56Z
dc.date.issued2022-09-01
dc.description.abstractIn this work, α-Ag2−2xCuxWO4 (0 ≤ x ≤ 0.16) solid solutions with enhanced antibacterial (against methicillin-resistant Staphylococcus aureus) and antifungal (against Candida albicans) activities are reported. A plethora of techniques (X-ray diffraction with Rietveld refinements, inductively coupled plasma atomic emission spectrometry, micro-Raman spectroscopy, attenuated total reflectance–Fourier transform infrared spectroscopy, field emission scanning electron microscopy, ultraviolet–visible spectroscopy, photoluminescence emissions, and X-ray photoelectron spectroscopy) were employed to characterize the as-synthetized samples and determine the local coordination geometry of Cu2+ cations at the orthorhombic lattice. To find a correlation between morphology and biocide activity, the experimental results were sustained by first-principles calculations at the density functional theory level to decipher the cluster coordinations and electronic properties of the exposed surfaces. Based on the analysis of the under-coordinated Ag and Cu clusters at the (010) and (101) exposed surfaces, we propose a mechanism to explain the biocide activity of these solid solutions.en
dc.description.affiliationCDMF LIEC Department of Chemistry Federal University of São Carlos (UFSCar), P.O. Box 676, SP
dc.description.affiliationDepartment of Physical and Analytical Chemistry University Jaume I (UJI)
dc.description.affiliationDepartment of Conservative Dentistry Faculty of Dental Sciences Federal University of Rio Grande do Sul, RS
dc.description.affiliationInstitute of Chemistry State University of Campinas (Unicamp), SP
dc.description.affiliationDepartment of Chemistry Federal University of Maranhao, Avenida dos Portugueses, 1966, MA
dc.description.affiliationInstitute of Physics “Gleb Wataghin” (IFGW) State University of Campinas, SP
dc.description.affiliationDepartamento de Materiais Odontológicos e Prótese Faculdade de Odontologia de Araraquara São Paulo State University (UNESP), P.O. Box 1680, SP
dc.description.affiliationFaculty of Engineering of Guaratinguetá São Paulo State University (UNESP), SP
dc.description.affiliationPPGQ-GERATEC Universidade Estadual do Piauí, Rua: João Cabral, N. 2231, P.O. Box 381, PI
dc.description.affiliationUnespDepartamento de Materiais Odontológicos e Prótese Faculdade de Odontologia de Araraquara São Paulo State University (UNESP), P.O. Box 1680, SP
dc.description.affiliationUnespFaculty of Engineering of Guaratinguetá São Paulo State University (UNESP), SP
dc.description.sponsorshipDepartament de Matemàtiques, Universitat Jaume I
dc.description.sponsorshipUniversitat Jaume I
dc.description.sponsorshipIdDepartament de Matemàtiques, Universitat Jaume I: UJI-A2019-16
dc.description.sponsorshipIdUniversitat Jaume I: UJI-A2019-16
dc.description.sponsorshipIdDepartament de Matemàtiques, Universitat Jaume I: UJI-B2016-25
dc.description.sponsorshipIdUniversitat Jaume I: UJI-B2016-25
dc.description.sponsorshipIdDepartament de Matemàtiques, Universitat Jaume I: UJI-B2017-44
dc.description.sponsorshipIdUniversitat Jaume I: UJI-B2017-44
dc.description.sponsorshipIdDepartament de Matemàtiques, Universitat Jaume I: UJI-B2019-30
dc.description.sponsorshipIdUniversitat Jaume I: UJI-B2019-30
dc.identifierhttp://dx.doi.org/10.3390/ijms231810589
dc.identifier.citationInternational Journal of Molecular Sciences, v. 23, n. 18, 2022.
dc.identifier.doi10.3390/ijms231810589
dc.identifier.issn1422-0067
dc.identifier.issn1661-6596
dc.identifier.scopus2-s2.0-85138880946
dc.identifier.urihttp://hdl.handle.net/11449/247680
dc.language.isoeng
dc.relation.ispartofInternational Journal of Molecular Sciences
dc.sourceScopus
dc.subjectbiocide activity
dc.subjectDFT study
dc.subjectmorphology
dc.subjectα-Ag2−2xCuxWO4 solid solutions
dc.titleDisclosing the Biocide Activity of α-Ag2−2xCuxWO4 (0 ≤ x ≤ 0.16) Solid Solutionsen
dc.typeArtigo
unesp.author.orcid0000-0003-3441-3674[3]
unesp.author.orcid0000-0002-0964-3075[4]
unesp.author.orcid0000-0002-3721-9335[7]
unesp.author.orcid0000-0002-6650-7432[8]
unesp.author.orcid0000-0002-2195-0051[11]
unesp.author.orcid0000-0002-0782-4876[12]
unesp.author.orcid0000-0002-3539-7269[13]
unesp.author.orcid0000-0003-0232-3957[15]

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