| In 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 (polyvinylpyrrolidone)
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 μL. 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. |