The regioselectivity of the [3+2] cycloaddition reactions between trans-β-nitrostyrene and C,N-diarylnitryle imine analogues as three atom components (TACs) has been studied with the use of Conceptual Density Functional Theory in the framework of Molecular Electron density Theory. Global and local reactivity indices were determined. Presented quantum-chemical computations showed that, for the reaction of nitroalkene with diphenylnitryle imine, the most favourable reaction path is determined by the nucleophilic attack of C3 carbon atom of TAC on an electrophilic C_α carbon atom of nitroalkene. Therefore, the creation of 1,3,4-triphenyl-5-nitro-Δ²-pyrazoline, according to channel B, is more probable. Similarly, to presented conclusion, for reactions of nitroalkene with nitryle imines containing ED group at para position of the phenyl ring also the most favourable reaction paths run through channel B leading to 1,3,4-triphenyl-5-nitro-Δ²-pyrazolines. In turn, reactions of nitroalkene with nitryle imines containing EW group at para position of the phenyl ring have the opposite preference and the most favourable reaction paths is channel A leading to 1,3,5-triphenyl-4-nitro-Δ²-pyrazolines.

The food industry consumes large amounts of water although there is an increasing demand for water and a rapid decrease in the level of natural water resources. Wastewater resulting from food industries needs to be assessed for their compliance to standards. In this study, wastewater treatment steps from the food industry were investigated for accurate assessment of wastewater loading by analyzing parameters of the concentration of compounds present in the effluents. The results revealed that the parameters of treated wastewater were as follow, electrical conductivity 2931 μs/cm, total suspended solids 100 mg/L, biochemical oxygen demand 90 mg/L, chemical oxygen demand 250 mg/L, total phosphorus 7.9 mg/L, and total nitrogen 70 mg/L. This exerts a huge load on the biological treatment unit. Thus, this study offers an understanding and support in selecting appropriate treatment for industrial wastewater to obtain an effluent suitable in compliance with standards of the environmental quality.

Pulvinaria tenuivalvata (Newstead) (Hemiptera: Coccidae) red soft scale insect is one of the most prevalent insect pests that attacks sugarcane plants. Insecticidal efficiency of six selected insecticides (Malatox, Sulfar, Admiral, Nomolt, Tafaban and Biover) was evaluated for their impact against nymphs and adult females of P. tenuivalvata on sugarcane leaves using leave dipping methods. This investigation was carried out for two successive seasons (July 2021-2022) at the laboratory of the Plant Protection Research Department at the El-Mattana Agricultural Research Station, Luxor Governorate, Egypt. Obtained results showed that the tested insecticides varied in efficacy on the different stages of pest (nymphs and adult females). Moreover, the nymphal stage of P.tenuivalvata was more susceptible to the tested pesticides compared to the adult stage. Admiral and nomolt were the most toxic against the nymphal and adult female stages of P. tenuivalvata on sugarcane leaves, sulfar, however, was the least successful in controlling this pest.

The non-stoichiometric, calcium-deficient hydroxyapatite was prepared through a low-temperature from aqueous solutions method and characterized using Physico-chemical methods. The potential of this hydroxyapatite to adsorb and release insulin from aqueous solutions was evaluated under physiological conditions. The effect of contact time and initial concentration were studied in batch experiments. The adsorption rate reached up to 81±5% in the first half-hour of contact, while the release rate of insulin incubation was about 41 ± 5% after 1 hour. The pseudo-first-order, pseudo-second-order, Elovich equation, Weber and Morris intraparticle diffusion model and Bangham’s pore diffusion model were applied to study the kinetics of the adsorption process. The pseudo-second-order kinetic model provided the best correlation R²(0.998) of the used experimental data compared to the other models. The adsorption of insulin onto hydroxyapatite was correlated well R²(0.998) with the Langmuir model as compared to Freundlich, Temkin and Dubinin–Kaganer–Radushkevich (D-K-R) models, with a maximum adsorption capacity of 24.46 mg/g. The isotherms parameters values of ΔG⁰, b_t and E show that the adsorption process is favorable, spontaneous, exothermic, and controlled by physisorption. The point of zero charge (pHZPC) of hydroxyapatite and the isoelectric point (pI) of insulin indicate that the interaction of insulin molecules with prepared apatite can be well described as an ions exchange reaction.

An experimental investigation was undertaken to study the Cobalt-based Stellite 6, powder deposited on SS 304 stainless steel substrate without any intermittent layer using an atmospheric plasma spray deposition process by varying the thickness of coating in the range of 74 µm, 128 µm, and 215 µm. The effect of coating thickness on metallurgical properties and corrosion resistance behavior was investigated. Optical microscopy, Scanning Electron Microscopy (SEM), and Energy Dispersive X-ray Spectroscopy (EDS) were employed to study the morphology of Stellite 6 coating. X-Ray Diffraction was used for structural analysis and to identify the phase formation. It was observed that the sample with 128 µm coating thickness provides the best result concerning microhardness and microstructure characteristics whereas the sample with 215 µm coating thickness provides the best corrosion resistance property. The reasons for the deviation were investigated and the factors responsible for the deviation were assigned in this investigation.

In a bid to discovering novel antibiotics to combat growing trend of multi-drug resistance strains of Salmonella typhi, 48 new pyridine derivatives with significant inhibitory activities against the aforementioned bacterium were subjected to molecular docking against DNA gyrase protease of the bacterium, drug likeness evaluation and pharmacokinetics profiling. All the 48 leads displayed better binding affinity values when compared with Amoxicillin, Ciprofloxacin, Ceftriaxone, Ampicillin, and chloramphenicol, the standard antibiotics used herein for quality assurance. Furthermore, the majority of the compounds were, however, screened out due to their poor pharmacokinetics profiles and drug-likeness. Only five compounds emerged as the most promising leads and they include C4 with binding affinity of -8.0 kcal/mol, C8 (-8.6 kcal/mol), C9 (-8.1 kcal/mol), C26 (-8.3 kcal/mol), and C27 (-8.0 kcal/mol). These compounds not only displayed better binding affinity when compared with the reference antibiotics but also exhibit different modes of interactions with the target protease of the bacterium making them more potent and drug like. Toxicity evaluation of the leads also revealed that the compounds are neither tumorigenic nor mutagenic. In view of the excellent binding affinity, high pharmacokinetics profile and positive drug-likeness of the novel ligands, we recommend these promising compounds for in vitro and in vivo studies in order to discover novel antibiotics that could curb the dangerous trend of multiple drug resistance by Salmonella typhi.

Under solvent-free conditions, a simple and efficient procedure has been developed for the Michael addition reaction of active methylene compounds to β-nitrostyrenes. The resulting Michael adducts are efficiently converted into functionalized pyrazole derivatives with hydrazine hydrate in excellent yields. All the compounds were well characterized by spectroscopic techniques.

Fused heterocyclic derivatives have become an important scaffold nowadays, which could be used as a template in drug development and medicinal chemistry. Benzimidazole moiety is an imperious aromatic heterocycle which is frequently present in naturally occurring products such as purines, vitamin B 12 and histidine as well as synthesized bioactive compounds, indomethacin and albendazole, for example. This study comprises widespread and comprehensive literature analysis on chemical reactivity and biological properties associated with Benzimidazole containing molecules. Benzimidazole ring structure possesses an extensive variety of pharmacological activities in several medications of therapeutic interest against a variety of diseases such as hypertension, malaria, cancer, microbial diseases, inflammatory disorders, etc. Furthermore, this fused heterocycle benzimidazole core might interact with various anions and cations in addition to biomolecules over different reactions in the human body, therefore exhibiting wide-ranging biological activities such as antineoplastic, antibacterial and antifungal, anti-inflammatory and analgesic, antihypertensive, antiviral and antidepressant. In this review, we are focusing on the chemistry and recent biological activities, designing approaches, and SAR (structure-activity relationship) data of different benzimidazole-based analogues during the past years.

Heavy metals contamination of water is a serious and complex environmental problem due to rapid industrialization, bioaccumulation and non-degradability. Therefore, the reuse of agricultural waste in the process of purifying water from pollutants is an attractive and promising method. Almost inexpensive materials are used to purify water, thus achieving the desired economic and environmental goal. In this study banana peel (BP) was used before and after modification by 0.1M sulphuric acid (H2SO4) to enhance the removal of Zinc Zn(II), Lead Pb(II) and Nickel Ni(II). The effect of various parameters was studied Such as pH, contact time, adsorbent dosage and initial metal ion concentration at 5 ppm. All these parameters were studied in batch experiments for a comparative study. The removal percentage was found to be 84% Zn (II),78%Pb (II) and 72% Ni (II) before modification and 92% Zn (II) , 94% Pb (II) and 96% Ni (II) after modification at initial concentration of 5 ppm. The data obtained from sorption isotherms were described with Langmuir and Freundlich isotherm models but were found to be well fitted for the Langmuir model. The correlation coefficient values R2 for Langmuir were at the range (0.996-0.999) while that for Freundlich were at the range (0.912-0.972). The rate of adsorption follows Pseudo-second-order kinetics. This work proved the high banana peels efficiency as an adsorbent agent for heavy metals removal from aqueous solutions.

Metal complexes of [2-(2-hydroxynaphthalen-1-ylazo)-pyridin-3-ol] are derived from 2-amino-3-hydroxypyridine and β-naphthol was synthesized and characterized by thermal, spectral and analytical tools. The ligand was reacted with Mn(II), Fe(II), Co(II), Ni(II), Cu(II) and Zn(II) in 1:2 stoichiometry. The IR spectra confirms the azo ligand coordination to metal ions via azo nitrogen and phenolic oxygen of pyridine after deprotonation. Both IR and 1HNMR spectra recorded involvement of deprotonated hydroxyl groups with proton displacement. The magnified fluorescence was shown by Mn(II) and Ni(II) complexes. None of the prepared ligands or complexes show any NLO activity with KDP as standard. The DNA cleavage and anticancerous activities done. The influence of zinc chelates on cure characteristics of rubber compounds was estimated based on rheometer measurements. The ligand and metal complexes are tested in vitro against some bacteria and fungi species. The antioxidant activities, DNA cleavage and anticancerous activities done. Ligand and its complexes catalysed cleavage of DNA.