Assessing the metronidazole adsorption by an iron-enhanced nanocone along with DFT calculations regarding the conjugated system formations for developing the drug delivery platforms

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dc.authoridHsu, Chou-Yi/0000-0001-7105-1161
dc.contributor.authorHsu, C. Y.
dc.contributor.authorSaadh, M. J.
dc.contributor.authorMutee, A. F.
dc.contributor.authorMumtaz, H.
dc.contributor.authorTillaeva, G. U.
dc.contributor.authorMirzaei, M.
dc.contributor.authorDa'i, M.
dc.date.accessioned2025-03-17T12:27:06Z
dc.date.available2025-03-17T12:27:06Z
dc.date.issued2024
dc.departmentTarsus Üniversitesi
dc.description.abstractBy the importance of developing novel drug delivery platforms, the current research work was done to assess the metronidazole (MET) adsorption by an iron -enhanced nanocone (FeCON) along with density functional theory (DFT) calculations regarding the MET@FeCON conjugated complex systems formations. Comparing the results by a pure nanocone (CON) model showed benefits of the iron -enhancement for approaching suitable MET@FeCON conjugated complex systems. A managing role of iron atom was also observed for the formation of complexes, in which the results were in a comparable mode for the formation of strong interactions inside the complexes. Variations of frontier molecular orbitals and their related features leaded to the evaluation of characteristic features and monitoring significant variations from the singular state to the complex state or even among the complexes. In this case, the models were also distinguishable for being monitored among the conjugations formations. As a result, the models were found suitable regarding the developments of drug delivery platforms in both terms of conjugations formations and electronic features detections.
dc.description.sponsorshipKing Saud University, Riyadh, Saudi Arabia [RSPD2024R986]
dc.description.sponsorshipM.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.inoche.2024.112496
dc.identifier.issn1387-7003
dc.identifier.issn1879-0259
dc.identifier.scopus2-s2.0-85192743131
dc.identifier.scopusqualityQ2
dc.identifier.urihttps://doi.org/10.1016/j.inoche.2024.112496
dc.identifier.urihttps://hdl.handle.net/20.500.13099/2079
dc.identifier.volume165
dc.identifier.wosWOS:001261842300001
dc.identifier.wosqualityQ1
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofInorganic Chemistry Communications
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250316
dc.subjectAdsorption
dc.subjectDFT calculations
dc.subjectDrug delivery
dc.subjectInteractions
dc.subjectNanostructure
dc.titleAssessing the metronidazole adsorption by an iron-enhanced nanocone along with DFT calculations regarding the conjugated system formations for developing the drug delivery platforms
dc.typeArticle

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