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[Display omitted] • UiO-66-(COOH) 2 MOF and its modification by cupper and iron were synthesized. • Remarakable removal of diclofenac by prepared MOFs was observed. • Zr atoms are the major interaction sites for DCF as they have the higher charge than Cu and Fe. • Remval mechanism may be due to H- bonding and and metal- π interaction. Water pollution by pharmaceuticals is currently a great concern due to their ecological risks. In this study, zirconium-based metal–organic frameworks (UiO-66-(COOH) 2) were used for removal of the nonsteroidal anti-inflammatory drug (NSAID) diclofenac sodium (DCF). They have been synthesized using a hydrothermal method. Copper and iron metal ions were incorporated in the framework using post-synthetic modification techniques to produce UiO-66-(COOCu) 2 and UiO-66-(COOFe) 2. The resulted MOFs were characterized using X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FT-IR), scanning/transmission electron microscopy, and Brunauer–Emmett–Teller. The effects of the pH, initial concentration, and adsorption time on the adsorption process of diclofenac were studied. The maximum adsorption capacities obtained on UiO-66-(COOH) 2 , UiO-66-(COOCu) 2 , and UiO-66-(COOFe) 2 were 480.5, 624.3, and 769.1 mg/g, respectively. The adsorption of diclofenac was found to be better fitted with Langmuir isotherm and pseudo-second-order kinetic models. The adsorption mechanism was investigated using XRD, FT-IR, density functional theory and Monte Carlo simulation, in which the latter method was used to calculate the adsorption energies and determine the possible interactions between diclofenac and the adsorbents. UiO-66-(COOH) 2 , UiO-66-(COOCu) 2 , and UiO-66-(COOFe) 2 exhibited good recyclability for diclofenac removal, which confirms the sustainability of these materials. [ABSTRACT FROM AUTHOR]

Pharmaceuticals have an ecological risk in the environment. To attenuate this efffect, Metal-organic frameworks (MOFs) and its composite with peroviskite have been used in photocatalysis of carbamezpine and caffiene. MIL-125-NH 2 , LaFeO 3 , LaFeO 3 /MIL-125-NH 2 have been prepared and characterized by X-ray diffraction (XRD), FT-IR, BET, scanning electron microscope (SEM), Transmission Electron Microscopy (TEM), Photoluminescence (PL) spectrum, UV–vis absorption spectroscopy and X-ray photo- electron spectroscopy. Their photocatalytic activity were investigated by solar simluator light source. High performance liquid chromatography was used for detction of carbamezpine, caffeine at different time intervals of photocatalyises reaction. The interaction mechanism of adsorption between pollutants and MIL-125-NH 2 , LaFeO 3 studied by monto carlo were metal-π, π- π stacking, and hydrogen bonding. The maximum loading was higher for caffiene (CAF) than carbamezapine (CBZ). The optimized LaFeO 3 /MIL-125-NH 2 composite have excellent degradtion effeciency due to efficient heterojunctions formation and separation of charges. Caffiene showed a higher degradtion than carbamezpine in one hour (i.e., carbamezapine, 74% and caffiene 87% by LaFeO 3 /MIL-125-NH 2). This successful photocatalytic activity was due to superoxide, hydroxyl free radicals active species. The intermediates resulted from carbamezapine and caffiene degradation using LaFeO 3 /MIL-125-NH 2 catalyst were identified by HPLC/MS.MS. [Display omitted] • MIL-125-NH 2 was attached to perovskite using self assembly protocol. • First example of the LaFeO 3 /MIL-125-NH 2 composite for caffeine and carbamezapine photodegradation was applied. • Unique adsorption mechanism of caffeine and carbamezapine over LaFeO 3 /MIL-125-NH 2 were proposed. • Enhancing the photocatalytic activity performance on degradation of pharmaceutical compounds was observed. [ABSTRACT FROM AUTHOR]