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    Cationic resin polymer A®IRC-50 as an effective adsorbent for the removal of Cr(III), Cu(II), and Ag(I) from aqueous solutions: A kinetic, mathematical, thermodynamic and modeling study
    (elsevier, 19.08.2023) Bensalah, Jaouad; Ouaddari, Hanae; Erdoğan, Şaban; Tüzün,Burak; Gaafar, Abdel-Rhman Z; Nafidi, Hiba-Allah; Bourhia, Mohammed; Habsaoui, Amar
    Adsorption has emerged as a reliable and cost-effective method for the depollution of wastewater containing multivalent heavy metals. However, there is still a need to optimize the process to achieve better efficacy. Consequently, This study focuses on the adsorption of three different metal ions, namely Cr (III), Cu (II), and Ag (I), using a cationic resin polymer called A®IRC-50 as the organic adsorbent. The high adsorption capacity of this polymeric material was investigated concerning various physicochemical parameters, including the dose of the cationic adsorbent, contact time, initial pH of the metallic solution, concentration of multivalent metals, and temperature (from 25 ◦C to 55 ◦C). The characterization of the adsorbent was performed using GTA/GTD, SEM spectroscopy, and EDX analysis. The kinetics of the adsorption phenomenally were evaluated exploited pseudo- 1st-order and pseudo-2sec-order models. The maximum amount of adsorption of the different metals studied are estimated at 171.33 mg..
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    Cationic resin polymer A®IRC-50 as an effective adsorbent for the removal of Cr(III), Cu(II), and Ag(I) from aqueous solutions: A kinetic, mathematical, thermodynamic and modeling study
    (Elsevier, 2023) Bensalah, Jaouad; Ouaddari, Hanae; Erdogan, Saban; Tuzun, Burak; Gaafar, Abdel-Rhman Z.; Nafidi, Hiba-Allah; Bourhia, Mohammed
    Adsorption has emerged as a reliable and cost-effective method for the depollution of wastewater containing multivalent heavy metals. However, there is still a need to optimize the process to achieve better efficacy. Consequently, This study focuses on the adsorption of three different metal ions, namely Cr (III), Cu (II), and Ag (I), using a cationic resin polymer called A (R) IRC-50 as the organic adsorbent. The high adsorption capacity of this polymeric material was investigated concerning various physicochemical parameters, including the dose of the cationic adsorbent, contact time, initial pH of the metallic solution, concentration of multivalent metals, and temperature (from 25 C-degrees to 55 C-degrees). The characterization of the adsorbent was performed using GTA/GTD, SEM spectroscopy, and EDX analysis. The kinetics of the adsorption phenomenally were evaluated exploited pseudo1st-order and pseudo-2(sec)-order models. The maximum amount of adsorption of the different metals studied are estimated at 171.33 mg.g(- 1) of the Cu(II), 90.16 mg.g(- 1) of the Cr(III) and 87.55 mg.g(- 1) of the Ag(I) at m = 0.1 g. The adsorption mechanism was determined by employing isothermal adsorption models such as Langmuir, Freundlich, and Temkin. The experimental results present demonstrated that the adsorption kinetics of the metals on the cationic polymer A (R) IRC-50 resin followed the pseudo-second-order model(100 mg.g(- 1) of Cr(III), 166.67 mg.g(- 1) of Cu(II) and 100 mg.g(- 1) of Ag(I)). The adsorption isotherms of the multivalent metal cations by the cationic polymeric A (R) IRC-50 resin were well-described by the Freundlich model, and the maximum capacities of the adsorption process were determined using the Freundlich isothermal model equation. The adsorption of multivalent heavy metals on the artificial polymer was found to be spontaneous and endothermic. The obtained Delta H values (46.85 Kj.mol(- 1), 31.61 Kj.mol(- 1) and 35.50 Kj.mol(-1) of the various metals Cr(III), Cu(II) and Ag(I) respectively), suggest that the interactions between the cationic polymer A (R) IRC-50 resin and the multivalent heavy metals are primarily physical. Finally, various thermodynamic technics between three metals study indicate as well Delta G(degrees) (-0.83 at -5.64 kJ. mol(- 1)) that the adsorption is impetuous and endothermic.
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    In vitro and in silico evaluation of the antimicrobial and antioxidant activities of spiropyrazoline oxindole congeners
    (Elsevier, 2024) Chalkha, Mohammed; Chebbac, Khalid; Nour, Hassan; Nakkabi, Asmae; El Moussaoui, Abdelfattah; Tuzun, Burak; Bourhia, Mohammed
    The search for novel powerful antimicrobial and antioxidant agents is considered a dynamic field in medicinal chemistry. In this context, a series of spiropyrazoline indolin-3-one congeners were assessed for their in vitro bioactivities, and in-silico studies were conducted to support the experimental results. The antimicrobial screening of the spiropyrazoline oxindole congeners against the selected microbe strains (Staphylococcus aureus (CECT 976), Bacillus subtilis (DSM 6633), Escherichia coli (K12), and Candida albicans (ATCC 10231)) exhibited moderate to excellent, compared to control standard antibiotics (Ampicillin, streptomycin and fluconazole). This activity was observed to be tightly dependent upon the nature of the substituents carried by the aromatic rings. Moreover, the tested compounds showed variable dose -dependent antioxidant activity. Notably, congeners 2c, 2d and 2e exhibited a remarkable antioxidant activity, due to the positive impact of the electron-donating groups (CH3 and OCH3) on the antioxidant activity. Density functional theory (DFT) simulations were executed on the target molecules to better understand their structural and electronic properties, as well as to explain the results obtained from the antioxidant activity. The molecular docking studies showed that the studied congeners have good binding affinities and interactions with the target proteins (catalase compound II and CYP51). Moreover, the 100 ns molecular dynamics (MD) simulation analysis was conducted to follow the behavior of the complexes formed between ligand 2e and the target proteins (2CAG and 5V5Z) under in-silico physiological conditions to explore and evaluate its stability over time. MD simulation indicated a stable conformation and binding patterns in a stimulating environment of the congeners (2CAG-2e and 5V5Z-2e). The results of Petra/Osiris/Molinspiration (POM) analyses suggested that all the spiranic cycloadducts have good oral bioavailability and pharmacokinetics without any evidence of observed toxicity. Taken together, our findings provide valuable experimental and theoretical information that will be helpful for designing novel spiranic molecules with potential pharmacological applications.