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Experimental and theoretical approach of nanocrystalline TiO2 with antifungal activity

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dc.contributor.authorLongo, Valeria M. [UNESP]
dc.contributor.authorPicon, Francini C. [UNESP]
dc.contributor.authorZamperini, Camila [UNESP]
dc.contributor.authorAlbuquerque, Anderson R. [UNESP]
dc.contributor.authorSambrano, Julio R. [UNESP]
dc.contributor.authorVergani, Carlos Eduardo [UNESP]
dc.contributor.authorMachado, Ana L. [UNESP]
dc.contributor.authorAndrés, Juan
dc.contributor.authorHernandes, Antônio C.
dc.contributor.authorVarela, José Arana [UNESP]
dc.contributor.authorLongo, Elson [UNESP]
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.contributor.institutionUniversitat Jaume i
dc.contributor.institutionUniversidade de São Paulo (USP)
dc.date.accessioned2014-05-27T11:29:55Z
dc.date.available2014-05-27T11:29:55Z
dc.date.issued2013-07-09
dc.description.abstractUsing a solvothermal method for this research we synthesized nanocrystalline titanium dioxide (nc-TiO2) anatase particles with a mean diameter of 5.4 nm and evaluated their potential antifungal effect against planktonic cells of Candida albicans without UV radiation. To complement experimental data, we analyzed structural and electronic properties of both the bulk and the (1 0 1) surface of anatase by first-principles calculations. Based on experimental and theoretical results, a reactive O2H- and OH- species formation mechanism was proposed to explain the key factor which facilitates the antifungal activity. © 2013 Published by Elsevier B.V.en
dc.description.affiliationINCTMN Universidade Estadual Paulista, P.O. Box 355, CEP 14801-907 Araraquara, SP
dc.description.affiliationGrupo de Simulação Molecular Universidade Estadual Paulista, P.O. Box 477, CEP 17033-360 Baurú, SP
dc.description.affiliationDepartament de Química Física i Analítica Universitat Jaume i Campus de Riu Sec, Castellon E12080
dc.description.affiliationINCTMN Universidade de São Paulo Instituto de Física de São Carlos, 13560-970 São Carlos, SP
dc.description.affiliationUnespINCTMN Universidade Estadual Paulista, P.O. Box 355, CEP 14801-907 Araraquara, SP
dc.description.affiliationUnespGrupo de Simulação Molecular Universidade Estadual Paulista, P.O. Box 477, CEP 17033-360 Baurú, SP
dc.format.extent114-120
dc.identifierhttp://dx.doi.org/10.1016/j.cplett.2013.05.056
dc.identifier.citationChemical Physics Letters, v. 577, p. 114-120.
dc.identifier.doi10.1016/j.cplett.2013.05.056
dc.identifier.issn0009-2614
dc.identifier.orcid0000-0002-7375-4714
dc.identifier.scopus2-s2.0-84879695114
dc.identifier.urihttp://hdl.handle.net/11449/75934
dc.identifier.wosWOS:000321511700023
dc.language.isoeng
dc.relation.ispartofChemical Physics Letters
dc.relation.ispartofjcr1.686
dc.relation.ispartofsjr0,656
dc.rights.accessRightsAcesso restritopt
dc.sourceScopus
dc.subjectAnti-fungal activity
dc.subjectFirst-principles calculation
dc.subjectFormation mechanism
dc.subjectNano-crystalline TiO
dc.subjectNanocrystalline titanium dioxide
dc.subjectSolvothermal method
dc.subjectStructural and electronic properties
dc.subjectTheoretical approach
dc.subjectCalculations
dc.subjectElectronic properties
dc.subjectFungi
dc.subjectTitanium dioxide
dc.titleExperimental and theoretical approach of nanocrystalline TiO2 with antifungal activityen
dc.typeArtigopt
dcterms.licensehttp://www.elsevier.com/about/open-access/open-access-policies/article-posting-policy
dspace.entity.typePublication
relation.isDepartmentOfPublication3936e2e2-946a-42ab-8b9d-9521513200fc
relation.isDepartmentOfPublication.latestForDiscovery3936e2e2-946a-42ab-8b9d-9521513200fc
relation.isOrgUnitOfPublicationca4c0298-cd82-48ee-a9c8-c97704bac2b0
relation.isOrgUnitOfPublicationbc74a1ce-4c4c-4dad-8378-83962d76c4fd
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unesp.author.lattes8000248781842587[7]
unesp.author.lattes3003130522427820[6]
unesp.author.orcid0000-0002-7375-4714[6]
unesp.author.orcid0000-0002-2718-428X[7]
unesp.campusUniversidade Estadual Paulista (UNESP), Instituto de Química, Araraquarapt
unesp.campusUniversidade Estadual Paulista (UNESP), Faculdade de Odontologia, Araraquarapt
unesp.departmentMateriais Odontológicos e Prótese - FOARpt
unesp.departmentBioquímica e Tecnologia - IQARpt
unesp.departmentFísico-Química - IQARpt

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Coleções

Araraquara - FOAR - Faculdade de Odontologia
Araraquara - IQAR - Instituto de Química