Phenylamine/Amide Grafted in Silica as Sensing Nanocomposites for the Removal of Carbamazepine: A DFT Approach

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dc.authoridRADI, Smaail/0000-0002-5062-6904
dc.authoridHanbali, Ghadir/0000-0002-0322-5665
dc.authoridKatin, Konstantin/0000-0003-0225-5712
dc.authorid, shehdeh/0000-0001-9074-0122
dc.authoridAlgarra, Manuel/0000-0003-2410-8430
dc.authoridSOTO, JUAN/0000-0001-6702-2878
dc.authoridAlkowni, Raed/0000-0001-6194-1590
dc.contributor.authorAlgarra, Manuel
dc.contributor.authorJodeh, Shehdeh
dc.contributor.authorAqel, Israa
dc.contributor.authorHanbali, Ghadir
dc.contributor.authorRadi, Smaail
dc.contributor.authorTighadouini, Said
dc.contributor.authorAlkowni, Raed
dc.date.accessioned2024-10-26T18:11:24Z
dc.date.available2024-10-26T18:11:24Z
dc.date.issued2022
dc.departmentSivas Cumhuriyet Üniversitesi
dc.description.abstractThis study aimed to remove carbamazepine from aqueous solutions, using functional silica phenylamine (SiBN), which is characterized and showed excellent chemical and thermal stability. Adsorbents based on silica were developed due to their unusually large surface area, homogenous pore structure, and well-modified surface properties, as silica sparked tremendous interest. It was determined to develop a novel silica adsorbent including phenylamine and amide (SiBCON). The adsorbents obtained were analyzed by various spectroscopy devices, including SEM, FT-IR and TGA analysis. The maximum removal rates for carbamazepine were 98.37% and 98.22% for SiBN and SiBCON, respectively, when optimized at room temperature, pH 9.0, initial concentration of 10 mg center dot L-1 and contact time of 15 min. Theoretical tools are widely used in the prediction of the power of interactions between chemical systems. The computed data showed that new amine modified silica is quite effective in terms of the removal of carbamazepine from aqueous solution. Calculation binding energies and DFT data showed that there is a powerful interaction between amine-modified silica and carbamazepine.
dc.description.sponsorshipMiddle East Desalination Research and Center [MEDR_2018_317]
dc.description.sponsorshipThe authors would like to thank the Middle East Desalination Research and Center (MEDR_2018_317) managed by the PalestineWater Authority for their financial help during this study.
dc.identifier.doi10.3390/chemosensors10020076
dc.identifier.issn2227-9040
dc.identifier.issue2
dc.identifier.scopus2-s2.0-85124528946
dc.identifier.scopusqualityQ2
dc.identifier.urihttps://doi.org/10.3390/chemosensors10020076
dc.identifier.urihttps://hdl.handle.net/20.500.12418/30658
dc.identifier.volume10
dc.identifier.wosWOS:000763994900001
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherMdpi
dc.relation.ispartofChemosensors
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subjectcarbamazepine
dc.subjectamine-modified silica
dc.subjectadsorption
dc.subjectphenylamine
dc.subjectregeneration
dc.titlePhenylamine/Amide Grafted in Silica as Sensing Nanocomposites for the Removal of Carbamazepine: A DFT Approach
dc.typeArticle

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