Synthesis, Crystal Structure, Theoretical Calculations, Antibacterial Activity, Electrochemical Behavior, and Molecular Docking of Ni(II) and Cu(II) Complexes with Pyridoxal-Semicarbazone

New Ni (II) and Cu (II) complexes with pyridoxal-semicarbazone were synthesized and their structures were solved by X-ray crystallography. This analysis showed the bis-ligand octahedral structure of [Ni(PLSC-H)2]·H2O and the dimer octahedral structure of [Cu(PLSC)(SO4)(H2O)]2·2H2O. Hirshfeld surface analysis was employed to determine the most important intermolecular interactions in the crystallographic structures. The structures of both complexes were further examined using density functional theory and natural bond orbital analysis. The photocatalytic decomposition of methylene blue in the presence of both compounds was investigated. Both compounds were active toward E. coli and S. aureus, with a minimum inhibition concentration similar to that of chloramphenicol. The obtained complexes led to the formation of free radical species, as was demonstrated in an experiment with dichlorofluorescein-diacetate. It is postulated that this is the mechanistic pathway of the antibacterial and photocatalytic activities. Cyclic voltammograms of the compounds showed the peaks of the reduction of metal ions. A molecular docking study showed that the Ni(II) complex exhibited promising activity towards Janus kinase (JAK), as a potential therapy for inflammatory diseases, cancers, and immunologic disorders

Ecological Synthesis of CuO Nanoparticles Using <i>Punica granatum</i> L. Peel Extract for the Retention of Methyl Green

The aqueous extract from the bark of Punica granatum L. was invested to generate CuO nanoparticles from CuSO4 using a green, economical, ecological, and clean method. The synthesized nanoparticles were characterized and were successfully used as adsorbents for methyl green retention of an absorptive capacity amounting to 28.7 mg g−1. Methyl green equilibrium adsorption data were correlated to the Langmuir model following the pseudo-second order kinetics model. This study clearly corroborates that copper nanoparticles exhibit a high potential for use in wastewater treatment

Ecological Synthesis of CuO Nanoparticles Using Punica granatum L. Peel Extract for the Retention of Methyl Green

The aqueous extract from the bark of Punica granatum L. was invested to generate CuO nanoparticles from CuSO4 using a green, economical, ecological, and clean method. The synthesized nanoparticles were characterized and were successfully used as adsorbents for methyl green retention of an absorptive capacity amounting to 28.7 mg g&minus;1. Methyl green equilibrium adsorption data were correlated to the Langmuir model following the pseudo-second order kinetics model. This study clearly corroborates that copper nanoparticles exhibit a high potential for use in wastewater treatment

From Waste to Schiff Base: Upcycling of Aminolysed Poly(ethylene terephthalate) Product

Recycling plastic waste into valuable materials is one of the contemporary challenges. Every year around 50 million tons of polyethylene terephthalate (PET) bottles are used worldwide. The fact that only a part of this amount is being recycled is putting a burden on the environment. Therefore, a technology that can convert PET-based waste materials into useful ones is highly needed. In the present work, attempts have been made to convert PET-based waste materials into a precursor for others. We report an aminolysed product (3) obtained by aminolysis reaction of PET (1) with 1,2 diaminopropane (DAP, 2) under solvent and catalytic free conditions. The highest amount of monomeric product was obtained upon heating the mixture of diamine and PET at 130 &deg;C. The resulting aminolysed product was then converted to a Schiff-base (5) in 25% yield. The chemical structure of the synthesized compounds was confirmed using multi-spectroscopic techniques. The results of this study will be a valuable addition to the growing body of work on plastic recycling

Biodegradable composite films based on mucilage from Opuntia ficus-indica (Cactaceae): Microstructural, functional and thermal properties

International audienceThis study evaluated the feasibility of using cactus mucilage (CM) to elaborate biobased composite films blended with styrene-butadiene rubber latex (SBL). The CM was extracted and precipitated with ethanol (CMET) and isopropanol (CMIS). Mucilage-based films were formulated using three levels of mucilage (4, 6, and 8 wt%). The microstructure, thickness, moisture content, density, water contact angle, water vapor permeability, film solubility, thermal stability, and toughness of mucilage films blended with SBL (SBL/CMET and SBL/CMIS) were measured. The properties of mucilage-based films varied systematically, depending on the concentration of mucilage. The addition of SBL to CM film produces compatible, hydrophobic, flexible, and stiffer films with low moisture contents and good barrier properties. The mucilage film incorporated with 6 wt% CMET and CMIS reached the highest Young's modulus of 1512 ± 21 and 1988 ± 55 MPa, respectively. The DSC of produced films reveals that the Tg of SBL/CMIS is lower than that of SBL/CMIS. The synthesized films were structurally stable at high temperatures. The biodegradability of the composite films buried in the ground shows that the produced films are 100 % biodegradable after 40 days. Thus, CM blended with SBL can benefit specific applications, especially food packaging

Optimization of the Preparation of Activated Carbon from Prickly Pear Seed Cake for the Removal of Lead and Cadmium Ions from Aqueous Solution

In this study, we evaluated the use of prickly pear seed cake, a by-product of prickly pear seed oil extraction, as a new precursor for producing activated carbon by phosphoric acid activation, and the obtained carbon’s capacity for heavy metal removal from aqueous solution. Response surface methodology based on the full factorial design at two levels (24) was developed to reduce the number of experiments and reach optimal preparation conditions for the removal of cadmium and lead ions from aqueous solutions. Design Expert 11.1.2.0 Trial software was used for generating the statistical experimental design and analyzing the observed data. Factors influencing the activation process, such as carbonization temperature, activation temperature, activation time, and impregnation ratio, were studied. Responses were studied in depth with an analysis of variance to estimate their significance. Each response was outlined by a first-order regression equation demonstrating satisfactory correspondence between the predicted and experimental results as the adjusted coefficients of correlation. Based on the statistical data, the best conditions for the removal of heavy metals from aqueous solution by the obtained activated carbon were indicated. The maximum iodine number and methylene blue index were 2527.3 mg g−1 and 396.5 mg g−1, respectively, using activated carbon obtained at the following conditions: Tc = 500 °C, Ta = 500 °C, impregnation ratio = 2:1 (g H3PO4: g carbon), and activation time of two hours. The maximum adsorption reached 170.2 mg g−1 and 158.4 mg g−1 for Cd2+ and Pb2+, respectively, using activated carbon obtained at the following conditions: Tc = 600 °C, Ta = 400 °C, impregnation ratio = 2:1 (g H3PO4: g carbon), and activation time of one hour. The activated carbon obtained was characterized by Boehm titration, pH of point of zero charge (pHPZC), Brunauer–Emmett–Teller surface area (SBET), and scanning electron microscopy. Adsorption was performed according to different parameters: pH solution, adsorbent dosage, temperature, contact time, and initial concentration. Regeneration experiments proved that the obtained activated carbon still had a high removal capacity for Cd2+ and Pb2+ after five regeneration cycles

Synthesis, anticancer activity, molecular docking and molecular dynamics studies of some pyrazole–chalcone hybrids

Four new hybrid compounds (H1–H4) bearing pyrazole (S1 and S2) and chalcone (P1 and P2) fragments were synthesized and characterized. Compounds were assayed for their ability to inhibit the proliferation of human lung (A549) and colon (Caco-2) cancer cell lines. Besides, toxicity against normal cells was determined using the human umbilical vein endothelial cells (HUVEC). In silico molecular docking, molecular dynamics (MD) simulation and absorption, distribution, metabolism, excretion, and toxicity (ADMET) studies were carried out to predict the binding modes, protein stability, drug-likeness and toxicity of the reported compounds. The in vitro anticancer activity of the tested compounds revealed dose-dependent cell-specific cytotoxicity. In silico studies revealed that the compounds have a good binding affinity, possess appropriate drug-likeness properties and have low toxicity profiles. Communicated by Ramaswamy H. Sarma</p