Exploring the naproxen adsorption at the surface of iron-decorated C24 fullerene-like nanocages for providing drug delivery insights along with DFT calculations

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dc.authoridHsu, Chou-Yi/0000-0001-7105-1161
dc.contributor.authorHsu, C. Y.
dc.contributor.authorSaadh, M. J.
dc.contributor.authorAyesh, A. I.
dc.contributor.authorEl-Muraikhi, M. D.
dc.contributor.authorMirzaei, M.
dc.contributor.authorDa'i, M.
dc.contributor.authorGhotekar, S.
dc.date.accessioned2025-03-17T12:27:20Z
dc.date.available2025-03-17T12:27:20Z
dc.date.issued2024
dc.departmentTarsus Üniversitesi
dc.description.abstractDue the importance of developing successful drug delivery platforms, the current research work done to assess the iron-decorated C24 fullerene-like nanocages for the adsorption of naproxen (NPX) drug along with density functional theory (DFT) calculations. NPX is among the important non-steroidal anti-inflammatory drugs (NSAIDs), in which its enhancement has been still under development. Accordingly, the focus of this work was on the customization of a carrier model for the NPX drug by investigating the electronic and structural features of interacting conjugated systems. To do this, three iron-decorated nanocages including FeC24, FeC23, and FeC22 models were prepared to assess the adsorption process to yield the NPX@FeC24, NPX@FeC23, and NPX@FeC22 conjugated systems. Different levels of electronic molecular orbital levels and adsorption strengths were achieved regarding the interaction of NPX and iron-decorated nanocages, in which the NPX@FeC22 model was at the highest level of strength and also electronic variations. Accordingly, suitable adsorption and detection of NPX drug were found by the assistance of iron-decorated nanocage models. Especially in the water solvent, the models of conjugations were found still stable by the advantage of iron-decorated conjugated systems. The results of this work could be proposed for further study of NPX drug delivery issues based on the iron-decorated fullerene-like nanocages.
dc.description.sponsorshipKing Saud University, Riyadh, Saudi Arabia [RSPD2024R986]
dc.description.sponsorshipThe author (M.M. Salem-Bekhit) would like to extend his sincere appreciation to the Researchers Supporting Project Number (RSPD2024R986) , King Saud University, Riyadh, Saudi Arabia.
dc.identifier.doi10.1016/j.diamond.2024.111262
dc.identifier.issn0925-9635
dc.identifier.issn1879-0062
dc.identifier.scopus2-s2.0-85194814037
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1016/j.diamond.2024.111262
dc.identifier.urihttps://hdl.handle.net/20.500.13099/2199
dc.identifier.volume146
dc.identifier.wosWOS:001256196200001
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier Science Sa
dc.relation.ispartofDiamond and Related Materials
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250316
dc.subjectDrug adsorption
dc.subjectDrug delivery
dc.subjectDrug detection
dc.subjectMolecular characterization
dc.subjectNanostructure
dc.titleExploring the naproxen adsorption at the surface of iron-decorated C24 fullerene-like nanocages for providing drug delivery insights along with DFT calculations
dc.typeArticle

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