UA-DMSPEDeterminationofCu(II),Cd(II),andAs(III) inWater,Soil, andTomatoUsingaNovelThiosemicarbazoneSorbent: ICP-OES PerformancewithDFTCharacterizationandAntimicrobial-Target Docking
ACS OMEGA, no.1, pp.1-10, 2026 (SCI-Expanded, Scopus)
- Publication Type: Article / Article
- Publication Date: 2026
- Doi Number: 10.1021/acsomega.5c08559
- Journal Name: ACS OMEGA
- Journal Indexes: Scopus, Science Citation Index Expanded (SCI-EXPANDED), Chemical Abstracts Core, Directory of Open Access Journals
- Page Numbers: pp.1-10
- Dokuz Eylül University Affiliated: Yes
Abstract
Heavymetalpollutionremainsacriticalglobal issue due tothe toxicandbioaccumulativenatureof elements, suchas Cu(II),Cd(II), andAs(III).Theiroccurrence inwater, soil, and foodproducts�particularly vegetables�poses serious ecological andhealthrisks. Inthiswork, anovel thiosemicarbazone(TSC) derivativewassynthesizedandstructurallycharacterized,whichhas not been previously reported in the literature. The ligandwas covalently immobilizedontoasilica-basedsorbent andappliedin anultrasound-assisteddispersivemicrosolidphaseextraction(UADMSPE)protocol fortheselectiveextractionandpreconcentration ofCu(II),Cd(II), andAs(III).Themethodwasvalidatedonreal samples, including irrigationwater, agricultural soil, and tomato matricescollectedfromtheGedizRiverBasin(Türkiye), aregion of intensiveagricultural activity.CoupledwithICP-OES, thedevelopedprocedureprovidedhighsensitivity, lowdetectionlimits, andreliableperformancewithminimalmatrixeffects. Inaddition,densityfunctional theory(DFT)calculationswereperformedto probe the electronic features and reactivityof the ligand, whilemolecular docking studies explored its potential antimicrobial interactions.This integratedapproachhighlightsthemultifunctionalityof theTSCligand,offeringbothenvironmentalmonitoring capabilities and prospective biomedical applications. Overall, the proposed method demonstrates analytical robustness, environmental compatibility, andastrongpotential for routinetracemetal surveillance incomplexmatrices.