Synthesis, Characterization, and the Investigation of the Applicability of Citric Acid Functionalized Fe2o3 Nanoparticles for the Extraction of Carvedilol From Human Plasma Using Dft Calculations and Clinical Samples Analysis Publisher



Shaban M^{1, 2} ; Hayadokht H^{3, 4} ; Hanaee J^{1, 4} ; Jahanbeen Sardroudi J⁵ ; Entezarimaleki T⁴ ; Soltani S^{1, 4} Show Affiliations
Source: Microchemical Journal Published:2022

Abstract

A novel citric acid-functionalized Fe2O3 magnetic nanoparticle was used to extract carvedilol from human plasma. The developed method was used to determine carvedilol concentrations in hospitalized cardiovascular patients. The surface of the magnetic nanoparticles produced was modified with (3-amino propyl) tri-ethoxy-silane and citric acid. We utilized combined multi-spectroscopic, microscopic, and molecular modeling approaches to evaluate the nanoparticles' physicochemical characteristics. Using density functional theory (DFT) simulations, the probable mechanism of carvedilol interaction with the generated nanoparticle was investigated. Characterization data confirmed the production of magnetic nanoparticles and the surface modification by citric acid. The amount of CA-FSLN.NPs, pH, and composition of the extraction and elution solvents were optimized using spiked plasma samples. The FDA guideline for bioanalytical method validation was used to validate the applicability of the developed SPE-HPLC-UV method for carvedilol analysis. Based on the data, the calibration curve was linear in the range of 0.02–0.8 µg.mL−1 (R2 = 0.99 and LLOQ = 0.02 µg.mL−1). The outcomes showed that the described method could be utilized for accurate carvedilol analyses in clinical plasma samples. Carvedilol concentrations ranged from 0.06 to 0.26 µg.mL−1 in studied plasma samples from seven patients. According to DFT calculations, the adsorption energy of carvedilol on CA-FSLN.NPs was 298.13 KJmol−1, with hydrogen bonding and hydrophobic interactions playing a significant role in the interaction of nonionized carvedilol with CA-FSLN.NPs. © 2022