Experimental and density functional theory studies during a new solid phase extraction of phenolic compounds from wastewater samples prior to GC-MS determination

Basit Öğe Kaydı
dc.contributor.authorFarajzadeh, Mir Ali
dc.contributor.authorNemati, Mahboob
dc.contributor.authorAltunay, Nail
dc.contributor.authorTuzen, Mustafa
dc.contributor.authorKaya, Savas
dc.contributor.authorKheradmand, Farzad
dc.contributor.authorMogaddam, Mohammad Reza Afshar
dc.date.accessioned2024-10-26T18:10:53Z
dc.date.available2024-10-26T18:10:53Z
dc.date.issued2022
dc.departmentSivas Cumhuriyet Üniversitesi
dc.description.abstractIn this work a commercial polymer-based dispersive solid phase extraction approach has been used in phenolic compounds extraction from wastewater samples. In the extraction procedure, firstly the sorbent (poly-vinylpyrrolidone) forms a homogenous solution with aqueous phase contacting the analytes and then its solubility was decreased by adding sodium chloride which leads to its dispersion into the aqueous solution as tiny particles. During this step, the investigated phenolic compounds were adsorbed onto the polymer. Then, a deep eutectic solvent synthesized from choline chloride and alpha-terpineol was used for elution of the compounds from the polymer surface. Optimization of the effective factors showed that the subsequent conditions are suitable for extraction of the analytes: sorbent (polyvinylpyrrolidone) amount, 125 mg; sample solution pH, 4; NaCl concentration, 20%, w/v; and desorption solvent volume, 75 mu L. Acceptable figures of merit consist of limits of detection and quantification in the ranges of (0.13-0.36 ng/mL and 0.43-1.2 ng/mL, relative standard deviations <= 6%, and extraction recovery and enrichment factor in the ranges of 60-92% and 80-122 were obtained. The powers of the interactions between the studied chemical species were analyzed with the help of Conceptual Density Functional Theory calculations and important quantum chemical parameters related to the chemical reactivity. The obtained theoretical data were in a good agreement with experimental observations.
dc.identifier.doi10.1016/j.microc.2022.107291
dc.identifier.issn0026-265X
dc.identifier.issn1095-9149
dc.identifier.scopus2-s2.0-85124464315
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1016/j.microc.2022.107291
dc.identifier.urihttps://hdl.handle.net/20.500.12418/30434
dc.identifier.volume177
dc.identifier.wosWOS:000919148600002
dc.identifier.wosqualityQ1
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofMicrochemical Journal
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectDispersive solid phase extraction
dc.subjectPhenolic compounds
dc.subjectDensity Functional Theory
dc.subjectGas chromatography-mass spectrometry
dc.subjectWastewater
dc.titleExperimental and density functional theory studies during a new solid phase extraction of phenolic compounds from wastewater samples prior to GC-MS determination
dc.typeArticle

Dosyalar

Koleksiyon

WoS İndeksli Yayınlar Koleksiyonu
Scopus İndeksli Yayınlar Koleksiyonu