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In this study, we utilized salicylaldehyde (SA) and p-toluidine (Tol-NH2) to synthesize 2-(Z)[(4-methylphenyl)imino]methylphenol (SA-Tol-SF), which was then reduced to 2-[(4-methylphenyl)amino]methylphenol, producing SA-Tol-NH. SA-Tol-NH was further reacted with formaldehyde to create SA-Tol-BZ monomer. Poly(SA-Tol-BZ) was produced by thermally curing it at 210 °C, after synthesizing it from SA-Tol-BZ. The chemical structure of SA-Tol-BZ was analyzed using various analytical techniques such as FT-IR, 1H NMR spectroscopy, and 13C NMR spectroscopy TGA, SEM, DSC, and X-ray analyses. Afterward, we applied the obtained poly(SA-Tol-BZ) onto mild steel (MS) using thermal curing and spray coating techniques. To examine the anticorrosion attributes of MS coated with poly(SA-Tol-BZ), electrochemical characterization was employed. The study proved that poly(SA-Tol-BZ) coating had a high level of effectiveness in preventing corrosion on MS, with an efficacy of 96.52%, and also exhibited hydrophobic properties.

Abstract To develop innovative mesoporous crosslinked poly(azomethine- sulfone)s with environmental applications, a simple Schiff base condensation technique based on barbituric acid BA or condensed terephthaldehyde barbituric acid TBA in their structures as monomeric units are applied. Different analysis methodologies and viscosity measurements identify them as having stronger heat stability and an amorphous structure. The photophysical features of the multi stimuli response MSR phenomenon are observable, with white light emission at higher concentrations and blue light emission at lower concentrations. Their emission characteristics make them an excellent metal ions sensor through diverse charge transfer methods. They can have a better inhibition efficiency and be employed as both mixed-type and active corrosion inhibitors according to their fluorescence emission with metals, demonstrating their capacity to bind with diverse metals. The adsorption of two distinct dye molecules, Methylene blue MB cationic and sunset yellow SY anionic, on the mesoporous structures of the polymers is investigated, revealing their selectivity for MB dye adsorption. Quantum studies support these amazing discoveries, demonstrating a crab-like monomeric unit structure for the one that is heavily crosslinked.

Pyrazoles and pyrazolones constitute a group of organic compounds that have various medical applications such as antimicrobial, antipyretic, anti-inflammatory, antitumor and antioxidants. Pyrazolones can exist in different isomeric forms (CH, NH, OH) due to keto-enol, lactam-lactim and imine-enamine tautomerism. Determination of the most stable tautomeric form is thus important for understanding their biological roles at the molecular level. We performed a theoretical investigation of the structural and antioxidant properties of three synthetic pyrazolones (1–3), one synthetic pyrazole (4), one natural pyrazole (5) and two engineered hydroxyl derivatives of 1 (7, 8) and of 5 (9, 10) using the density functional theory at the B3LYP/6-311++G(d,p) level of theory in gas phase and in methanol (using the polarizable continuum model). It is found that substituents and solvents may influence the relative stability of pyrazolone isomers and that the CH tautomer is typically the least stable. Vertical ionization potentials, vertical electron affinities and X–H bond dissociation energies (X = C, N, O, S) are calculated for the global minimum structures and compared with those of the standard antioxidant flavonoid quercetin (6). Calculations predict that compounds 1 and 5 have antioxidant activity similar to 6 and that their mono and dihydroxyl derivatives (7–10) are more efficient antioxidants. Results also indicate that compounds 1–10 preferably interact with free radicals adopting the H atom transfer rather than the sequential electron transfer proton transfer mechanism. The study gives insight into the structural requirements for the design of highly efficient antioxidants. Keywords: Pyrazoles, Pyrazolones, Natural pyrazole, Tautomerism, DFT calculations, Antioxidants, Structural design

Herein, a feasible chemical reduction method followed by intensive mixing was applied for the preparation of an attractive material based on graphite studded with cuprous oxide nanoparticle-based cubes (Cu2ONPs–C@G). Transmission electron microscope (TEM), scanning electron microscope (SEM), X-ray diffraction (XRD) and cyclic voltammetry (CV) were utilized for characterization. Cuprous oxide nanoparticles (Cu2ONPs), with a diameter range mainly distributed from 4 to 20 nm, aggregate to form microcubes (Cu2ONPs–C) with an average diameter of about 367 nm. Paste electrode was prepared using Cu2ONPs–C@G (Cu2ONPs–C@G/PE) for voltametric quantification of the musculotropic antispasmodic drug: mebeverine hydrochloride (MEB). The electrochemical behavior of MEB was studied using CV, and the optimum analytical parameters were investigated using square wave adsorptive anodic stripping voltammetry (SWAdASV). Moreover, density functional theory (DFT) was used to emphasize the ability of MEB to form a complex with Cu2+, confirming the suggested electrochemical behavior of MEB at Cu2ONPs–C@G/PE. With good stability and high reproducibility, SWAdASV of Cu2ONPs–C@G/PE shows successful quantification of MEB over the concentration range of 5.00 × 10−11–1.10 × 10−9 M with lower limit of detection (LOD) and lower limit of quantification (LOQ) values of 2.41 × 10−11 M and 8.05 × 10−11 M, respectively. Finally, accurate quantification of MEB in dosage forms (tablets) and biological fluids (spiked human urine and plasma samples) was achieved using Cu2ONPs-C@G/PE.