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dc.contributor.authorReivan Ortiz, G. G.
dc.contributor.authorCespedes Panduro, B.
dc.contributor.authorSaba, I.
dc.contributor.authorCotrina Aliaga, J. C.
dc.contributor.authorMohany, M.
dc.contributor.authorAl Rejaie, S. S.
dc.contributor.authorArias Gonzales, J. L.
dc.contributor.authorRamiz Cornell, A. A.
dc.contributor.authorKadham, M. J.
dc.contributor.authorAkhavan Sigari, R.
dc.date.accessioned2023-10-24T23:33:08Z
dc.date.available2023-10-24T23:33:08Z
dc.date.issued2023-03-21
dc.identifier.citationReivan, G. G., Cespedes, B., Saba, I., Cotrina, J. C., Mohany, M., Al, S. S., Arias, J. L., Ramiz, A. A., Kadham, M. J., & Akhavan, R. (2023). Adsorption of thiotepa anticancer by the assistance of aluminum nitride nanocage scaffolds: A computational perspective on drug delivery applications. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 666(5), 131276. https://doi.org/10.1016/j.colsurfa.2023.131276es_PE
dc.identifier.other.es_PE
dc.identifier.urihttps://hdl.handle.net/11537/34758
dc.descriptionEl texto completo de este trabajo no está disponible en el Repositorio Institucional UPN por restricciones editoriales donde ha sido publicado.es_PE
dc.description.abstractThis work was carried out by the importance of providing insights into the nano-based drug delivery of anticancers. To this aim, a representative model of aluminum nitride (AN) nanocage scaffold and two of its boron and gallium doped forms (BAN and GAN) were investigated towards the adsorption of thiotepa (Tep) anticancer. Density functional theory (DFT) calculations were performed to evaluate the stabilized structures and their corresponding electronic features. The results indicated the contribution of N-head and S-head of Tep to interactions with each scaffold resulting six complexes; NTep@AN and STep@AN, NTep@BAN and STep@BAN, NTep@GAN and STep@GAN. In each complex model, the characteristic features were obtained based on the interactions details and frontier molecular orbitals related features. In this regard, the investigated scaffolds were found suitable for adsorbing the Tep substance with different strengths and frontier molecular orbitals levels yielding the possibility of assigning specified recovery time and conductance. As a consequence, the models of investigated scaffolds were found suitable to work as possible carriers of Tep anticancer for approaching the nano-based drug delivery purposes.es_PE
dc.formatapplication/pdfes_PE
dc.language.isospaes_PE
dc.publisherElsevier B.V.es_PE
dc.rightsinfo:eu-repo/semantics/closedAccesses_PE
dc.sourceUniversidad Privada del Nortees_PE
dc.sourceRepositorio Institucional - UPNes_PE
dc.subjectOrbitales moleculareses_PE
dc.subjectTeoría funcional de la densidades_PE
dc.subjectSemiconductoreses_PE
dc.titleAdsorption of thiotepa anticancer by the assistance of aluminum nitride nanocage scaffolds: A computational perspective on drug delivery applicationses_PE
dc.typeinfo:eu-repo/semantics/articlees_PE
dc.publisher.countryECes_PE
dc.identifier.journalColloids and Surfaces A: Physicochemical and Engineering Aspectses_PE
dc.subject.ocdehttps://purl.org/pe-repo/ocde/ford#3.01.00es_PE
dc.description.sedeSede virtuales_PE
dc.identifier.doihttps://doi.org/10.1016/j.colsurfa.2023.131276


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