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

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


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دانشگاه علوم پزشکی تبریز
دانشگاه علوم پزشکی تبریز

نویسندگان: محبوب نعمتی , محمدرضا افشار مقدم

کلمات کلیدی: Dispersive solid phase extraction Phenolic compounds Density Functional Theory Gas chromatography-mass spectrometry Wastewater

نشریه: 24084 , 107291 , 177 , 2022

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نویسنده ثبت کننده مقاله محمدرضا افشار مقدم
مرحله جاری مقاله تایید نهایی
دانشکده/مرکز مربوطه مرکز تحقیقات ایمنی غذا و دارو
کد مقاله 78140
عنوان فارسی مقاله Experimental and density functional theory studies during a new solid phase extraction of phenolic compounds from wastewater samples prior to GC–MS determination
عنوان لاتین مقاله Experimental and density functional theory studies during a new solid phase extraction of phenolic compounds from wastewater samples prior to GC–MS determination
ناشر 7
آیا مقاله از طرح تحقیقاتی و یا منتورشیپ استخراج شده است؟ بلی
عنوان نشریه (خارج از لیست فوق)
نوع مقاله Original Article
نحوه ایندکس شدن مقاله ایندکس شده سطح یک – ISI - Web of Science
آدرس لینک مقاله/ همایش در شبکه اینترنت

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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.

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نویسنده نفر چندم مقاله
محبوب نعمتیدوم
محمدرضا افشار مقدمهفتم

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Microchem-Phenols-2022.pdf1400/11/301619004دانلود