A Fluorometric Method for Diclofenac Determination in Liquid Formulations: Experimental and Computational Assessments

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dc.authoridorhan, ersin/0000-0002-5461-1005
dc.authoridSarkaya, Koray/0000-0003-0177-5134
dc.authoridFitoz, Alper/0000-0001-7714-9987
dc.authoridErgun, Ece/0000-0001-5645-5571;
dc.contributor.authorSarkaya, Koray
dc.contributor.authorFitoz, Alper
dc.contributor.authorErgun, Ece
dc.contributor.authorOrhan, Ersin
dc.contributor.authorErgun, Umit
dc.date.accessioned2025-10-11T20:48:48Z
dc.date.available2025-10-11T20:48:48Z
dc.date.issued2025
dc.departmentDüzce Üniversitesien_US
dc.description.abstractDiclofenac (DCF) is an important non-steroidal anti-inflammatory drug frequently used to relieve rheumatic pain and acute injuries. Therefore, determination of DCF in real-life samples using an efficient and cost-effective indirect method is vital in pharmaceutical science. The proposed novel method is based on the formation of a solid Zn-BMHM complex (chemosensor BMHM; (E)-1-((((1H-benzo[d]imidazol-2-yl)methyl)imino)methyl)-5-methylphenol) via the displacement of zinc ions from the Zn-DCF complex in an ethanol medium. The method consists of rapid precipitation steps that prevent interference effects and a turn-on fluorescence effect by using a chemosensor. The increase in fluorescence intensity was linearly correlated with the concentration of Zn-DCF solution over the range of 5.0-50.0 mu M (R2: 0.999) with a LOD value of 1.64 mu M. The method was applied to liquid pharmaceutical formulations and obtained excellent recovery values (99.09%-103.9%). Geometry optimization, molecular orbitals, and NBO population analyses were performed using density functional theory to display the exchange reaction's characteristics between ligand DCF and chemosensor BMHM. Global reactivity parameters and local interaction sites on the DCF and BMHM were examined in detail in view of the analyzed reaction. Theoretical assessments supported the analysis of reaction selectivity towards the BMHM ligand.en_US
dc.description.sponsorshipDzce University Scientific Research Projects Unit [2019.05.03.947]en_US
dc.description.sponsorshipThis study was supported by the Duezce University Scientific Research Projects Unit (project number: 2019.05.03.947).en_US
dc.identifier.doi10.1002/slct.202404083
dc.identifier.issn2365-6549
dc.identifier.issue1en_US
dc.identifier.scopus2-s2.0-85214136979en_US
dc.identifier.scopusqualityQ3en_US
dc.identifier.urihttps://doi.org/10.1002/slct.202404083
dc.identifier.urihttps://hdl.handle.net/20.500.12684/22111
dc.identifier.volume10en_US
dc.identifier.wosWOS:001388211000001en_US
dc.identifier.wosqualityQ3en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherWiley-V C H Verlag Gmbhen_US
dc.relation.ispartofChemistryselecten_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.snmzKA_WOS_20250911
dc.subjectBenzimidazoleen_US
dc.subjectChemosensoren_US
dc.subjectDFTen_US
dc.subjectDiclofenacen_US
dc.subjectNBOen_US
dc.titleA Fluorometric Method for Diclofenac Determination in Liquid Formulations: Experimental and Computational Assessmentsen_US
dc.typeArticleen_US

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