Porous nanocomposites for sorptive elimination of ibuprofen from synthetic wastewater and its molecular docking...

Pharmaceuticals are a new developing pollutant that is threatening aquatic ecosystems and impacting numerous species in the ecosystem. The aim of this study is the green synthesis of TiO₂-Fe₂O₃-Chitosan nanocomposites in conjunction with Moringa olifera leaves extract and its applicability for ibuprofen removal. Various characterization studies were performed for the synthesized nanocomposites. Box-Behnken design (BBD) is employed to optimize pH, agitation speed, and composite dosage. Equilibrium results show that adsorption process matches with Langmuir isotherm, demonstrating adsorption on the nanocomposite's homogenous surface and follows pseudo-first-order kinetics. Using the BBD, pH, adsorbent dose, and agitation speed were examined as adsorption parameters. Ibuprofen elimination was demonstrated to be most successful at a pH of 7.3, using 0.05 g of nanocomposites at a rotational speed of 200 rpm. Thermodynamic parameters for ibuprofen sorption were carried out and the ΔH and ΔS was found to be 76.23 & 0.233. Molecular Docking was performed to find the interaction between the pollutant and the nanocomposite. UV-vis spectra confirm the 243 nm absorption band corresponding to the nanocomposite's surface plasmon resonances. Fourier transform infrared spectroscopy spectra relate this band to a group of nanocomposites. The findings of this work emphasize the importance of TiO₂-Fe₂O₃-Chitosan nanocomposites for removing ibuprofen from wastewater.