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The synthesis of 2, 2’-[ethane-1,2dylbis (oxy)] dibenzaldehyde (N), thiocarbondisulfate ligands (W) and its metal complexes was studied in the work. Synthetic reaction was accomplished in two stages by reacting salicylaldehyde and sodium carbonate in DMF media, and then 1,2-dibromoethane equivalent was added. By mixing hydrazine and CS2, W was synthesized. Ligand (W) was produced by adding an ethanol metal chloride solution to a collection of metal ions. After that, the ligand N was introduced and dissolved. In DMF at a (0.5 M N: W) molar ratio to create five novel compounds. Using physicochemical techniques (FT-IR, electron spectral analysis, mass, ¹H-NMR, and 13C NMR spectra, analysis of elements, magnetic susceptibility, and molar concentration), the isolated composition entity of the synthesized compounds was verified (conductivity). Based on characterization data, octahedral compounds with the chemical formula [MLCl2] were formed. The antibacterial effect of the title components (ligands and complexes) was evaluated as an antioxidant when M= Co (ll), Ni (ll), Cu (ll), Zn (ll), and Cd (ll). The results showed that the mineral compounds lost their activity relative to L.

A 100-ns MD simulation of the apo-protein and compound A protein complex was carried out using RMSD and RMSF evaluations to investigate the stability of the tested complex with regards to the HDAC-2 target site. The apoprotein (C𝛼) showed a significant RMSD value of 0.90 Å throughout the simulation period with no major fluctuation, showing the conformational stability of the apo-protein structure. In addition, the compound A/protein complex displayed stability during the simulation period with an RMSD value of 1.6 Å, suggesting a low chance of compound escape from the target pocket with no fluctuation.

In this work, the Pines plant, a cheap agricultural waste, is used in a batch manner to remediate synthetic wastewater that contains dyes. A cationic and anionic dye that is frequently used in the textile industry, Reactive red120 (RR-120), and disperse blue 79(DB-79) was employed to create the simulated wastewater. Biochar from pine plants treated with HCl (BC-HCl) was utilized. X-ray diffraction (XRD), and field emission scanning electron microscopy (FESEM) were used to investigate and characterize the activated carbon. Morphological investigations revealed multiple layers with extremely porous surfaces, particularly following acid-induced carbon activation. Analysis was done on the equilibrium for the adsorption of Reactive red120 (RR-120), and disperse blue 79(DB-79) onto waste BC-HC. The BC-HC was made by impregnating hydrochloric acid into dried Pines plant biochar, then carbonizing and activating it at 300 °C. The findings demonstrated that when the initial, Reactive red120 (RR-120), and dispersed blue 79(DB-79) concentration, adsorbent dosage, and solution temperature rose, so did the dyes elimination. The Langmuir, and Freundlich, isotherms were used to examine the equilibrium data. The Freundlich isotherm best-fitted the adsorption, resulting in a maximum adsorption capacity of 90.211 mg g-1 , 92.23 mg g-1 at 25 °C for Reactive red120 (RR-120), and dispersed blue 79(DB-79). Based on thermodynamic investigations, the adsorption mechanism was proposed to be the presence of intra-particle diffusion with additional rate-controlling processes, with the process being spontaneous and endothermic.

Using prickly pear juice and a green chemistry technique, AuNPs were created for this study. The UV-Visible spectrophotometer was used to verify the synthesized AuNPs. whereas peak position was at 548 nm while in Fourier Transform Infrared (FTIR) spectroscopy was less than 500 1/cm, scanning electron microscopy (SEM) showing spherical in structure and X-ray diffraction with a size 19.92-133.97 nm, the optical effect of gold nanoparticles were impact in get rid of eosin remain by increasing the optical analysis of Pollutants. The hemolysis percentage is < 5% which indicates that these nanoparticles are not toxic.

This study involves preparing some of the azo phenolic chlorinated compounds and studying their properties as a fire retardant with commercial polyurethane according to ASTM (American Society Test of Materials), where the use of ratios is adding different from azo phenolic chlorinated compounds. Azo phenolic chlorinated compounds were developed as a flame retarding material by increasing the chlorine atoms. The azo phenolic chlorinated compounds with different numbers and places of substituted chlorine atoms were prepared. Fourier-transform infrared spectroscopy (FT-IR) predicted the chemical structure of the azo phenolic chlorinated compounds. In addition, the efficiency of the sample increases as an inhibitor of fire, by increasing the number of chlorine atoms and increasing the proportion of azo phenolic chlorinated compounds added.

This study aimed to create novel azo compounds (Z1-Z4) via amic acid compounds (A1-A4) as intermediate, and then the structures of synthetic compounds were characterized using 1H-NMR, 13C-NMR, and FT-IR spectroscopy. The synthesized azo compounds may be classified as direct dyes, based on their coloristic and application qualities. In addition, the study aimed to examine the antibacterial effects of these compounds on medically significant Gram-positive and Gram-negative bacterial strains, as well as fungal strains. Novel azo derivatives had good results when tested with Staphylococcus aureus, Escherichia coli as well as against Aspergillus Niger, aspergillus fumigatus fungi.

Based on the structural features of vorinostat, a new set of imidazolo-triazole hydroxamic acid derivatives were designed (F1-F4). Then all the designed molecules were molecular docked against HDAC 2 receptor. F4 showed maximum binding energy of -8.7 kcal/mol and standard vornostat showed -7.2 kcal/mol. All the designed molecules were simulated using Gromacs software to calculate RMSD, RMSF, and other MD simulation data. All simulation data showed good interaction between ligand and receptor. Then all the molecules were synthesized by three parts: synthesis of para nitrophenyl linked triazolo hydroxamic acid, and oxazolone derivative. In a separate flask, substituted oxazolone derivatives were synthesized from aromatic aldehyde. In the final step, substituted oxazolone and para nitrophenyl linked triazolo hydroxamic acid were reacted to produce final set of molecules (F1-F4). DFT analyses were also performed to identify the most reactive molecule and F4 emerged as most chemically reactive molecule with good electrophilicity. Furthermore, in vitro antiproliferative activity against breast cancer cell line showed that F4 was the most effective anticancer molecule among all the synthesized molecules.

The study was aimed at assessing the phytochemical composition and antibacterial efficacy of Parquetina nigrescens leaves against particular pathogenic microorganisms. In this work, N-Hexane, chloroform, and methanol were used to extract the Parquetina nigrescens. The phytochemical components of the extracts were examined and investigations into the extracts' antibacterial effects against S. pneumoniae, A. baumanii, P. areuginosa, and E. coli were also conducted. The results of the phytochemical examination showed that the extracts included possess various amounts of saponins, tannins, flavonoids, anthraquinones, and alkaloids. As a result of the presence of many phytochemicals, the results of the phytochemical screening suggested that P. nigrescens may have various biological applications. Parquetina nigrescens may be a powerful antibacterial agent, according to the findings of the antimicrobial activities. In addition, the antimicrobial susceptibility test (AST) revealed that Parquetina nigrescens extracts had high potentials in comparison to the control. Moreover, the results of this study suggested that Parquetina nigrescens may hold promise for the creation of effective pharmaceuticals.

This study presents the synthesis and spectroscopic characterization of new amic and imide derivatives incorporating bis (phosphonic acid) moieties. The key starting material, [(4-aminophenyl) (hydroxyl)methylene] bis (phosphonic acid) (1), was reacted with various cyclic anhydrides-succinic, maleic, 1,8-naphthalic, 3-nitrophthalic, glutaric, cis-1,3,4,6-tetrahydrophthalic, and pyromellitic dianhydride (2)-to yield the corresponding amic acids (3a–3f and 5g). These amic acids were subsequently dehydrated using acetic anhydride in the presence of anhydrous sodium acetate under reflux, producing novel imide derivatives (4a–4f and 6g). The synthesized compounds were characterized through various physical and spectroscopic techniques, including Fourier-transform infrared spectroscopy (FT-IR), nuclear magnetic resonance spectroscopy (1H, 13C and 31P NMR).

Docking studying of acetomido chalcone of crotamiton derivatives containing pyrimidines and a series of cyclic chemicals made via clasian Schmidt condensation reactions. Using identification methods (Thin-layer chromatography, Fourier-transform infrared spectroscopy, Ultraviolet, Nuclear magnetic resonance (NMR), and Mass spectrophotometric), chalcone chemicals interacted with substances like urea to produce a six-member ring including two nitrogen atoms. We examined five compounds' antibacterial action in vitro against gram-positive (Staphylococcus aureus) and gram-negative (Escherichia coli) bacterial strains. The recently synthesized chemicals, particularly Cyb appeared critical antibacterial movement against germs, comparable to routine medication, agreeing to examine their antibacterial potential. Moreover, a consideration in vitro against (Candida albicans) shows that crotamiton's antifungal action is well-targeted for official compared to standard medication crotamiton.

In the current work, licorice leaves were used in a green synthesis approach to create copper oxide nanoparticles. An extensive range of analytical methods, including UV-Visible, FTIR, EDX, FE-SEM, and AFM, were employed to assess the shape, size, surface area, and optical characteristics of the CuO NPs formed. The possibility that CuO NPs could catalyze the degradation of Rhodamine-B, a pollution indicator found in water bodies, was investigated. The degradation process was studied using various experimental configurations, including multiple catalyst loadings, irradiation sources (UVC, UVB, UVA, and halogen lamps), reaction media, the use of NaOCl as an activating agent for the catalysts, and a kinetic analysis of dye. The de-colorization efficiency with the highest results (61.49%) was achieved with 0.118 g of catalyst and pH = 10. CuO NPs were exposed to NaOCl activation for 3 h, and this resulted in an increase in photocatalytic degradation yield from 61.49% to 72.31%. CuO NPs shown antibacterial properties against both gram-positive and gram-negative microorganisms. At high concentrations of CuO NPs (1024 µg/mL) with the highest inhibitory zone observed against Pseudomonas aeruginosa, Streptococcus, and Staphylococci aureus. CuO NPs' effectiveness against HFF, a normal cell line, and K562 malignant cells was investigated. Various quantities of copper oxide nanoparticles were chosen and left to stand for 24 h. The results showed that while the inhibitory concentration (IC50) was found to be 590 µg/mL, cell viability was considerably reduced with an increased dose of CuO nanoparticles up to 63.6% at maximum concentration (500 μg/mL) compared to 86.59% for HFF cell viability.

A series of six novels’ Thioimidazole-4-one derivatives have been projected to assess their possibility activities. Their purpose is to investigate the anti-inflammatory and bronchodilator effects of asthma. Therefore, for the treatment of inflammatory disorders of the airways, selective A2A adenosine receptor may offer another alternative to corticosteroids. These six compounds interact strongly with the A2A adenosine receptor accountable for the activity. In the current investigation, the docking of these compounds to the A2A adenosine receptor's crystalline structure has been stabilized (Protein Data Bank code: 5MZJ) was performed in order to ascertain their affinity for the active site. Predictions by the computer indicated that two compounds will receive high scores of 90.687 and 82.346. Following an analysis of the ADME properties, it was shown that these compounds possessed considerable binding potential. As a result, the functionalities of theophylline were chosen as control levels for comparison. The crucial disposition of six new thioimidazole-4-one derivatives towards the A2A adenosine receptor was predicted using computational approaches. Furthermore, a docking methodology was implemented utilizing .The software for Genetic Optimization for Ligand Docking was utilized to assess the docking fitness values of Compounds 4 and 6, which resulted in scores of 82.346 and 90.687, respectively. These scores are considered to be quite high. The compounds were found to meet Lipinski's rule, as well as demonstrate favorable topological descriptors and drug-like chemical structural keys

Xanthone derivatives, known for their bioactive properties, have garnered significant attention in recent years owing to their potential therapeutic applications. In this study, we isolated three xanthone derivatives, α-mangostin (1), β-mangostin (2), and 2,8-diisoprenyl-1,3-dihydroxy-6,7-dimethoxyxanthone (3), from the ethyl acetate fraction of Garcinia mangostana twigs. Structural identification of these compounds was confirmed by UV, IR, NMR, and MS analyses. Notably, compound 3 was isolated from twigs of G. mangostana for the first time. The inhibitory activity of the isolated compounds was evaluated against several receptor tyrosine kinases (RTKs), including the Epidermal Growth Factor Receptor (EGFR), HER2, HER4, IGFR, InsR, KDR, PDGFRα, and PDGFRβ. Compounds 1-3 exhibited moderate EGFR inhibition, with inhibitory effects ranging from 29-30%. Molecular docking studies revealed that these compounds interacted with EGFR through hydrogen bonding and hydrophobic interactions, with binding energies of -8.4, -8.2, and -8.2 kcal/mol, respectively. This study highlights the potential of xanthone derivatives as selective inhibitors of specific RTKs, offering insights for developing targeted cancer therapies. In particular, the selective activity of compound 2 against EGFR suggests promising therapeutic applications for EGFR-related conditions, including certain cancers and provides a foundation for future research on drug development.

In this work, new substituted drugs polymerized as new homogenous polymers with study their medicinal properties to extend the controlled drug. The first step includes preparation of compound N-(4-hydroxyphenyl) maleimide (D1) via reaction of maleic anhydride with 4-aminophenol. Then compound (D1) was converted to maleimide phenol acetic acid ether (D2). Compound (D2) was converted to its corresponding acyl chloride derivative which reacted with amino drugs (silver sulfadiazine, isoniazid, 4-aminoantpyrine) afforded monomers (D3, D4 and D5). Homogeneous polymers (D6, D7, and D8) prepared via polymerization reaction of free radicals of the monomers (D3, D4, and D5) under nitrogen using benzoyl peroxide (Bpo) as initiator. All these prepared monomers and polymers were characterized by FT-IR and 1H NMR, 13C NMR techniques and C.H.N.S were used to elementary analysis of the monomers. Study of the drug release behavior in acidic and basic media as well as the swelling ratio were achieved. The antibacterial activity and physical properties of all monomers and polymers were studied.

Solid polymer electrolytes are essential components for realizing solid-state batteries. Solid-state batteries have long relied on polymer electrolytes based on polyoxyethylene. However, these electrolytes have a limited electrochemical window, which restricts future improvements in energy density. This work produced and characterized a solid polymer electrolyte based on plasticized polyvinylpyrrolidone (PVP). Electrochemical methods, such as electrochemical impedance spectroscopy and cyclic voltammetry, were used to determine the electrolyte's conductivity. For the manufacture of this plasticized PVP solid polymer electrolyte, propylene carbonate (PC) was used as the plasticizer, and lithium perchlorate (LiClO₄), lithium carbonate (Li₂CO₃), and lithium nitrate (LiNO₃) served as the salts. The plasticized PVP solid polymer electrolyte was prepared using the solution casting technique. The synthesized plasticized PVP was verified using UV-Vis spectroscopy. AC impedance measurements were conducted to determine the conductivity of the films, while surface properties were investigated using atomic force microscopy (AFM). In addition, the electrochemical stability of the electrolytes was examined.

Copper oxide nanoparticles were prepared using the sol-gel method to measure the effect of these particles on biofilm formation. FESEM, XRD , FTIR and EDX where conducted to investigate morphology, crystallinity and chemical composition of the synthesized nanoparticles. In addition, the acquisition of nanoparticles has been confirmed.. E. coli, Klebsiella pneumoniae, Pseudomonas aeroginosa , P. mirabilis and Stenotrophomonas maltophilia have been examined as biofilm. Documented results showed that the high concentrations of CuO NPs were the most effective on the biofilm of bacteria especially the high concentrations of the nanoparticles. In the case of Pseudomonas aeruginosa and proteus the O.D. was 0.26 and 0.27 respectively and the other bacteria were showed no effects compared to control group, the overall findings is that all concentrations of CuONPs were active as antibacterial agents.

The introducing of 3D printing has revolutionized the design and fabrication of different complex lattice structures, offering unprecedented flexibility in optimizing mechanical properties for various applications. However, conventional 3D-printed lattice structures often face some limitations in achieving the desired balance between strength, stiffness, and weight. This study presents a comprehensive investigation into the enhancement of conventional 3D-printed lattice structures through innovative design modifications. By integrating advanced computational techniques such as Finite Element Method (FEM) modeling with experimental studies, this study aims to evaluate the mechanical performance of these enhanced structures. The FEM analysis allows for precise prediction of stress distributions and deformations under compressive loading conditions, while experimental validation provides insights into real-world applicability and performance. The results show that, weight is not the main factor that affects the mechanical specifications, which was the study's major hypothesis through the results obtained, it was indicated that reducing the weight by 12% in the modified model compared to SC-FCC show that, the modified model which weight 10.32 g lighter than SC-BCC which weight 11.7 g and better strength with 2% if compared with SC-BCC lattice structure. The findings reveal significant improvements in mechanical properties, including increased load-bearing capacity, demonstrating the potential of these enhanced lattice structures for advanced engineering applications. This study not only contributes to the understanding of the mechanical behavior of 3D-printed lattices but also paves the way for the development of more efficient and robust structural components.

Cadmium (Cd (II)) contamination presents a significant environmental and health risk due to its toxic effects on ecosystems and human well-being. Developing effective removal methods is crucial to mitigate these risks, and using organic waste as an adsorbent provides an environmentally sustainable solution. This study explores the adsorption capacity of matoa fruit peel (Pometia pinnata), which was activated using 0.01 M HNO₃, to remove Cd (II) from aqueous solutions in a batch adsorption process. The process was optimized by analyzing the influence of various factors, including pH (3–7), initial Cd (II) concentration (50–250 ppm), and contact time (10-240 minutes). The results, analyzed using Atomic Absorption Spectroscopy (AAS), were fitted to kinetic models and adsorption isotherms. Optimal conditions were achieved at pH 6, with a maximum adsorption capacity of 9.43 mg/g, a concentration of 200 ppm producing an adsorption capacity of 12.50 mg/g, and an ideal contact time of 150 minutes resulting in a capacity of 12.39 mg/g. The Freundlich isotherm model (R²=0.994) best described the adsorption process, indicating multilayer physisorption. The adsorption kinetics followed a zero-order model. This study demonstrates that matoa fruit peel is a promising, low-cost adsorbent for the efficient removal of cadmium from water.

In this work, we created a new tri-branched macromolecule liquid crystal with a central triazine core. The central triazine core is linked to phenyl units via amine and azo bridges. When the resultant star-shaped macromolecule was coupled with 4-((4-alkyloxyphenyl) azo) aniline in a 1:3 ratio, it formed nematic for ethoxy, propyloxy, butyloxy, and pentyloxy derivatives. In contrast, the hexyloxy and octyloxy formed Smectic C (SmC) mesophase and became greasy at room temperature. This suggests that the molecule behaved like a liquid crystal under these circumstances. Two methodologies were used to investigate the mesophase properties: Differential scanning calorimetry (DSC) and polarizing optical microscopy (POM). It examined the thermal characteristics of materials, including phase transitions like melting and crystallization.

This study presents a comparative investigation into the multidentate bis(semicarbazone) ligand, (2Z,2’E)-2,2’-(((propane-1,3-diylbis(oxy))bis(2,1-phenylene))bis(methanylylidene))bis(hydrazine-1-carboxamide) (H₂L), and its precursor L. The synthesis of L involved a two-step process: the formation of potassium 2-formylphenolate, followed by a reaction with 1,3-dibromopropane. H₂L was synthesised through the reaction of L with semicarbazide in a 1:2 mole ratio. Comparative analysis between L and H₂L was carried out using various analytical and spectroscopic techniques, including FT-IR, UV-Vis, mass spectrometry, 1H- and 13C-NMR, elemental analysis and melting points. Further comparative studies explored their thermal properties, Density Functional Theory (DFT) simulations, and molecular docking. DFT simulations using the B3LYP functional at the 6-311++G(d,p) level provided insights into the stability, electronic properties, and geometries of both compounds. Molecular docking studies against drug discovery targets 5IQ9 and 5VBU revealed comparative binding energies and interaction profiles, indicating potential dual inhibitory effects. Significantly, biological assessments showed that while L exhibited moderate antibacterial activity, H₂L demonstrated improved antifungal efficacy, particularly against Candida albicans, highlighting its potential as a therapeutic alternative.