Efficiency of Fe3O4@ZIF-8 for the removal of Doxorubicin from aqueous solutions: equilibrium, kinetics and thermodynamic studies.

Due to inadequate pharmaceutical wastewater treatment, anticancer contaminants from the pharmaceutical industry frequently end up in the aquatic environment where they endanger aquatic life and humans. As a result, the appropriate treatment of wastewater that contains anticancer agents is crucial for pollution prevention. The purpose of this work is to assess the effectiveness of a Fe3O4@ZIF-8 nanocomposite as an adsorbent to remove of the chemotherapeutic drugs doxorubicin (DOX) from aqueous solution. SEM, XRD, BET, FT-IR, Zeta potential, and point of zero charge analysis were used to study the surface and structural characteristics of the Fe3O4@ZIF-8 nanocomposite. Via the proposed treatment, 804.84 mg/g elimination was successful under the following circumstances: pH = 6; Fe3O4@ZIF-8 dose = 0.02 g/25 mL; DOX concentration = 1.22x10-3 mol; adsorption time = 100 min; and shaking speed = 200 rpm. A investigation of isotherms shown that the Langmuir equation and experimental data suited each other quite well. The adsorption of DOX on Fe3O4@ZIF-8 was endothermic and spontaneous, in accordance with thermodynamic properties. Furthermore, the elimination of DOX was enhanced by the rise in solution temperature. The kinetic analysis revealed that the pseudo-second order was fitted by the model. The suggested adsorption method could recycle Fe3O4@ZIF-8 nanocomposite six times, with a modest reduction in its ability for adsorption. For all XRD reflection peaks, physical characteristics including strain rates were computed and the dislocation of was 4.7 × 10-6. Investigate the activity of the DOX towards COVID-19, breast and prostate cancer using molecular docking.

Synthesis, characterization, design, molecular docking, anti COVID-19 activity, DFT calculations of novel Schiff base with some transition metal complexes

The elemental analyses, infrared, magnetic measures, UV-Visible, 1H NMR, 13C NMR, and XRD analysis were used to study Co(II), Ni(II), and Cu(II) metal complexes (1–3) with a novel Schiff base (HL). The ligand performances as a mononegative tridentate NNO, according to the spectrum data. In Co(II), Ni(II), and Cu(II) metal complexes, an octahedral structure has been proposed based on magnetic and electronic spectrum data. The thermodynamic properties of the ligand and its complexes are measured via the Coats-Redfern and Horowitz-Metzger procedures. The bond angles, the bond lengths, and quantum chemical factors are shown in the molecular modeling using the DFT approach. The ligand and its complexes have been studied via absorption spectra studies in calf thymus DNA binding and also viscosity calf thymus DNA binding studies. Utilizing o-aminophenol such as a reference material catalyzed by metal complexes, dioxygen stimulation in parameters of phenoxazinone synthase activity is comprehensively examined. By interacting by SARS-CoV-2 main protease, which was obtained from the RCSB pdb database PDB ID: 6W41, to anticipate the action of HL in contradiction of COVID-19 and its anticancer properties with cancer of prostate protein 3qum, the docking binding sites contacts were evaluated. As a result, future research and clinical studies into HL as a potential COVID-19 illness and prostate cancer therapy drug induced. Vinblastine and colchicine viability tests were used to compare the outcomes of the complexes targeting human tumor cell lines MCF-7 and HepG-2. All complexes' in vitro antioxidant properties were measured by DPPH free radical scavenger tests. Additionally, antibacterial action of the ligand and specific complexes was investigated in vitro in contradiction of Gram +ve bacteria (Staphylococcus aureus) and Gram-ve bacteria Escherichia coli (E. coli) utilizing inhibition zone diameter.

Structural characterization and biological activity of a new metal complexes based of Schiff base

Metal complexes of Co(II), Ni(II) and Cu(II) complexes (1–3) with a new Schiff base (HL) have been prepared and characterized by elemental analyses IR, UV–Visible, magnetic measurements, 1H NMR, 13C NMR, and X-ray diffraction analysis. Coats-Redfern and Horowitz-Metzger techniques are used to measure the thermodynamic parameters of the ligand and its complexes. The spectral data indicated that the ligand (HL) acts as a monobasic tridentate coordinating via the oxygen of the carbonyl group in the enol form, the nitrogen atom of the azomethine (–C=N–) group and phenolic –OH group. On the basis of magnetic and electronic spectral data, an octahedral geometry for Co (II), Ni (II) and Cu (II) complexes have been proposed. The molecular modeling using DFT method is drawn showing the bond lengths, bond angles and quantum chemical parameters. Absorption spectra and viscosity measurements have examined the calf thymus DNA binding behavior of the ligand and its complexes. The docking active site interactions were evaluated to predict the activity of HL against COVID-19 by binding with SARS-CoV-2 principal protease that recovered from the RCSB protein data bank with PDB ID: 6Y84 and its anticancer activity with prostate cancer receptor 3qum. Therefore, HL is worth further investigations and clinical trials as a possible therapeutic agent for prostate cancer and COVID-19 disease caused by the novel SARS-CoV-2. Evaluation results of synthesized complexes against the human cancer cell lines MCF-7 and HepG-2 were published in comparison with positive controls in the viability assay of vinblastine and colchicine. DPPH free radical-scavenging assays used to determine the in vitro antioxidant activity of all complexes. Moreover, the ligand and some complexes were screened for in vitro antibacterial activity against Staphylococcus aureus as Gram +ve bacteria and Escherichia coli (E. coli) as Gram -ve bacteria using inhibition zone diameter.

Synthesis, spectral characterization, DNA binding, catalytic and in vitro cytotoxicity of some metal complexes

A series of 2-(4-sulfamethazine)hydrazono-5,5-dimethylcyclohexane-1,3-dione (HL) and its complexes of Co(II), Ni(II) and Cu(II) (1–3) were synthesized. Elemental measurements, FTIR, 1H NMR, 13C NMR, UV–Visible, X-ray diffraction analysis, and magnetic measurements have characterized the ligand and its complexes. By coordinating with the deprotonating and oxygen atom of the carbonyl group (C=O) through the hydrazone moiety nitrogen atom (-NH-), the ligand (HL) functions as a monobasic bidentate ligand. The coordination geometry of the complexes Co(II) and Ni(II) is octahedral, where the complex Cu(II) is square planar. The ligand and its complexes were determined with the optimized bond lengths, bond angles and quantum chemical parameters. The ligand and its complexes calves thymus DNA linking activity was examined through absorption spectra and viscosity measurements. Results of the evaluation of synthesized compounds against the Sections of MCF-7 and HepG-2 active tumor cells have been published in the viability assay for vinblastine and colchicine, relative to positive controls. The DPPH free radical-scavenging assay specifies the in vitro anti-oxidant function of all complexes. Finally, fungal (Candida albicans), gram-negative (Escherichia coli) and gram-positive (Staphylococcus aureus) bacteria have been investigated for the anti-microbial activities of the complexes using the disc diffusion process. Molecular docking was used to predict the binding of SARS-CoV-2 key protease in complex COVID-19 (5REA) between the ligand and breast cancer mutant (3hb5) receptor and the crystal structure.

Synthesis, characterization, catalytic, DNA binding and antibacterial activities of Co(II), Ni(II) and Cu(II) complexes with new Schiff base ligand

New Schiff base (E)-4-(3-cyano-4,6-dimethylpyridin-2-ylamino)-N′-(1-(2-hydroxyphenyl) ethylidene)benzohydrazide (HL) was synthesized by condensation of 2-hydroxyacetophenone with 4-(3-cyano-4,6-dimethylpyridin-2-ylamino) benzohydrazide. The ligand (HL) and its Co(II), Ni(II) and Cu(II) complexes (1–3) have been characterized by elemental analyses, 1H NMR, 13C NMR, IR, UV–Visible, magnetic measurements and X-ray diffraction analysis. The ligand (HL) acts as a monobasic tridentate ligand coordinating via the oxygen of the carbonyl group, the nitrogen atom of the azomethine (–C=N–) group and phenolic –OH group with deprotonating. The ligand and its complexes have been defined to have standardized bond lengths, bond angles and quantum chemical parameters. Absorption spectra and viscosity measurements have examined the calf thymus DNA binding behavior of the ligand and its complexes. The docking active site interactions were evaluated to predict the activity of HL against COVID-19 by binding with SARS-CoV-2 principal protease that recovered from the RCSB protein data bank with PDB (ID: 6Y84) and its anticancer activity with prostate cancer receptor 3qum. Evaluation results of synthesized complexes against the human cancer cell lines MCF-7 and HepG-2 were published in comparison with positive controls in the viability assay of vinblastine and colchicine. DPPH free radical-scavenging assays determine the in vitro antioxidant activity of all complexes. After that, gram-negative bacteria (Escherichia coli) and gram-positive bacteria (Staphylococcus aureus) are fungal (Candida albicans), were investigated for the anti-microbial activities of the compounds using the disc-diffusion process. Catechol oxidase and phenoxazinone synthase mimetic activity examinations displayed that the current Co(II) oxidase models efficiently catalyze the oxidative coupling of o-aminophenol (o-APH3) to the corresponding oxidation product o-amino-3H-phenoxazine-3-ones (APX).