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Abstract: Abstract Four β-keto ester derivatives containing 1,2,4-triazole (A7 and A8) or 1,3,4-oxadiazole (A13 and A14) thioether units were synthesized by S-alkylation of the corresponding thiol/thione precursors with ethyl 4-chloro- 3-oxobutanoate in ethanol using sodium acetate as a stoichiometric basic additive. The proposed structures are supported by FT-IR, 1H NMR, and 13C NMR data, including disappearance of the precursor S–H resonances and appearance of signals attributable to the β-keto ester fragment. Solvent-dependent keto–enol behavior was examined qualitatively by 1H NMR spectroscopy in DMSO-d6 and CDCl3 at 298 K. Only keto-form diagnostic resonances were resolved in DMSO-d6. In CDCl₃, A7 displayed signals of both keto and enol species; A8 and A14 displayed resolved enol-form signals without a resolved keto methylene signal; and A13 retained a resolved keto methylene signal without detectable enol resonances. UV/Vis spectra showed intense absorptions mainly in the ultraviolet region and weaker solvent- and concentration-sensitive features at longer wavelengths. Cyclic voltammetry in DMF containing 0.10 M tetrabutylammonium perchlorate revealed multiple cathodic processes that were predominantly irreversible on the experimental time scale. Because the Ag quasi-reference electrode was not calibrated against an internal ferrocene standard, the electrochemical results are interpreted comparatively within this data set rather than as absolute formal potentials. The combined results demonstrate qualitative relationships among heterocycle identity, methoxy substitution, solvent-dependent tautomeric signatures, and electrochemical response.
Abstract: Abstract Magnetic nanoparticles are currently gaining significant attraction in various fields, including modern engineering and ecology, particularly in biomedical, therapeutic, and diagnostic technologies. An environmentally friendly electrochemical synthesis method was used to produce magnetic nanoparticles. Iron sulfate was dissolved in a mixture of water-ethanol, while polyvinylpyrrolidone (PVP) was used to enhance the biocompatibility of the magnetite nanoparticles. Particle size in a sol obtained with 1 vol% PVP, at a current density of 20-60 A/dm2, and at varying water and ethanol ratios, was measured using the dynamic light scattering (DLS) method transmission electron microscopy (TEM). Zeta potential was measured to determine the stability of the magnetite sol. In the presence of PVP, the best results (12-18 nm) were obtained with water/ethanol ratios of 50/50 and 60/40 vol.%. Magnetite nanoparticles were characterized using a Zetasizer Malvern instrument, scanning electron microscopy (SEM), X-ray diffraction (XRD) analysis, Fourier transform infrared spectroscopy (FT-IR), and thermogravimetric analysis.
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Abstract: Abstract Through this study, a number of new tetrazole derivatives were formed by reacting Schiff lead derivatives with NaN3 in the presence of DMF as a solvent using an environmentally friendly and novel approach, namely microwave. These compounds were characterized by FT-IR and 1H&13C-NMR spectra, which confirmed that the synthesized ring was successful through the disappearance of the (C=O) group and the appearance of the amine group (NH2), the azo group (N=N), and the (CH) group, which are the characteristic groups in tetrazole compounds. Compounds [E5] and [E8] were chosen because of their proven effectiveness against E. coli and S. aureus. The results showed that compound [E5] was superior to standard antibiotics in inhibiting the growth of E. coli, while compound E8 showed good activity at high concentrations where the two antibiotics were used. Laser irradiation studies also revealed a significant decrease in melting points and a change in color, indicating that the molecular structure of these derivatives is affected by photo- treatment. Computed tomography analysis of molecular docking using biotin carboxylase protein (PDB: 3jzf) showed that compound [E5] exhibits the highest binding affinity and best stability within the active site, exhibiting low binding energies and multiple interactions, including hydrogen bonds and π interactions. Furthermore, optical analysis of compounds [E5, E8] using polarized microscopy revealed that compound E5 exhibits clear phase behavior of a hexagonal columnar liquid (Colₕ) followed by a vegetative (N) phase, while compound E8 showed no liquid crystalline properties. These results confirm that the prepared tetrazole derivatives, particularly compound [E5], are promising materials for pharmaceutical and bioactive applications, with potential for future use as highly effective antibacterial agents.
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Abstract: Abstract One of the promising technological processes in the production of oils is the hydrocracking process. It is radical in destructive hydrogenation and change in the structure of raw material molecules to obtain oil products with new qualities that are absent in the original raw material. The hydrocracking process in the processing of oil fractions and residues of Baku oils is especially necessary due to their high resin content. Therefore, the solution to this issue is of a topical nature. In this paper, the possibility of using oil fractions – distillate D-11 – a mixture of Baku low-paraffin oils as a raw material for obtaining base oils, including high-index ones, was investigated. Distillate D-11 from Azerbaijani oils was subjected to hydrocracking on an industrial catalyst GKD-205 under a pressure of 4-5 MPa, at volume rate of 0.5-1.0 h-1 and at a temperature of 420 °C. The optimal process mode for the conclusion was determined in order to obtain the base of high-index oils: pressure of 5 MPa, temperature of 420 °C, volume rate of 0.5 h-1 and amount of hydrogen of 1000 l/l of raw material. The oil fractions obtained during the work (300-400 °C) do not require dewaxing, as a result of which the costs of oil production were reduced by half. Without dewaxing, along with base oils VI-4 and VI-6, all-season motor oils M-4z/6V1 and M-6z/10V, turbine oils of the T-22, T-30, T-46, T-51 brands, and light cylinder oils 11, 24, AK-15, etc. were obtained. After dewaxing the oil fractions of hydrogenates, high-viscosity oils were obtained - vapors, which significantly surpass the quality of oils from unique Baku oils.
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Abstract: Abstract New Zn(II) and Cd(II) complexes with a hydrazone based on (E)-N'-(5-bromo-2- hydroxybenzylidene)nicotinohydrazide (HL) were obtained. The structures of these complexes were studied using infrared (IR) spectroscopy, Electronic (UV–Vis) spectroscopy, derivatography, luminescence spectroscopy, and elemental analysis. It was established that Zn(II) forms a complex with the ligand (HL) in a metal-to-ligand ratio of M:L = 1:2, whereas Cd(II) forms a complex with a ratio of M:L = 1:1. Based on thermogravimetric analysis, the stages of thermal decomposition of the synthesized complexes and the composition of solid reaction products formed at these stages were determined. It was shown that the final products of thermal decomposition consist of zinc and cadmium oxides. The Zn(II) complex contains two water molecules, while the Cd(II) complex contains three water molecules. The complexes were dissolved in dioxane, and their luminescent properties were investigated. It was established that both the ligand and its complexes exhibit luminescent properties.
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Abstract: Abstract As the global energy landscape shifts toward more sustainable and high-performance storage solutions, the development of next-generation supercapacitor electrodes has become increasingly critical. Addressing this demand, we developed a straightforward chemical co-precipitation method to synthesize manganese dioxide (MnO2) and cobalt oxide (Co3O4), incorporating a conductive carbon framework as a potential electrode material for supercapacitors. The resulting mixture was further combined with poly(3,4- ethylenedioxythiophene) (PEDOT) and deposited onto a nickel foam/graphene monolayer substrate to fabricate test electrodes. This method bypasses the complexity of multi-step fabrication and post-processing, offering a streamlined, scalable approach to building multifunctional hybrid electrodes. The resulting composite exhibits rapid ion transport and enhanced charge storage, while Energy-Dispersive X-ray spectroscopy (EDS) confirmed the successful incorporation of Mn and Co elements. Furthermore, X-ray diffraction (XRD) patterns indicated that the composite possesses an amorphous structure. Cyclic Voltammetry (CV) and Galvanic Charge/Discharge (GCD) measurements revealed excellent long-term cycling stability, indicating the viability of the fabricated composite for potential supercapacitor applications. Electrochemical Impedance Spectroscopy (EIS) was also performed to evaluate the internal resistance and charge-transfer properties, providing complementary insight into the electrode’s electrochemical behavior.
Abstract: Abstract Compounds of the argyrodite family and phases based on them are of considerable interest as environmentally friendly multifunctional materials exhibiting thermoelectric, photovoltaic, and optical properties, as well as high ionic conductivity. In this work, the thermodynamic properties of the Ag7GeSe5I compound and the solid solutions Ag8-xGeSe6-xIx were studied for the first time using the electromotive force (EMF) method with a solid Ag⁺-conducting electrolyte Ag4RbI5. Based on EMF measurements of the concentration cells of the (-)Ag(s) | Ag4RbI5(s) | (Ag–in alloy) (+) type in the 300–390 K temperature range, linear equations describing the temperature dependences of the EMF were obtained. Using these equations, the relative partial thermodynamic functions of silver in the alloys were calculated. Based on the solid-phase equilibria diagram of the Ag₂Se–AgI–GeSe₂ system and several boundary systems, a fragment of the phase diagram of the quaternary Ag–Ge–Se–I system was constructed. Using this diagram, the equations of the potential-forming reactions responsible for the above-mentioned partial molar functions were derived, and the standard thermodynamic functions of formation and the standard entropies of the compound Ag7GeSe5I and the solid solutions Ag8-xGeSe6-xIx (х=0.2, 0.4, 0.6, and 0.8) were calculated.
Abstract: Abstract The electrochemical and spectrophotometric behavior of Olanzapine (OLZ) was studied for its optimal concentration ratio towards citrate buffer solution, the half-wave potential of a mercury dropping electrode, and electrochemical and spectrophotometric calibration curves for the qualitative and quantitative determination of OLZ. The influence of various solvents on the ability of OLZ to form complexes with metals has been evaluated using the quantum-chemical semi-empirical AM1 method. The energetic, electronic, and structural characteristics of the molecule have been calculated, and the donor atoms in the OLZ molecule and the rules of its coordination with the metal atom have been identified. These studies are vital for further research evaluation of OLZ presence in blood plasma and urine. The removal of OLZ from model solutions was tested using the carbonaceous materials of hazelnut and walnut shells (obtained by our method), and their adsorption capacity was compared with industrial carbon material - Activated Birch Carbon (BAU-A) - showing compatible results.
Abstract: Abstract This article presents the study of the complexation behavior of (E)-3-(((1-methyl-3-oxo-2-phenyl- 5λ³-pyrazolidin-4-yl)diazenyl)methyl)pentane-2,4-dione (R1) with Fe(III) ions using the extractive spectrophotometric method. Different organic solvents were evaluated as extractants, among which 1- butanol provided the highest extraction efficiency. Optimal conditions for complex formation and extraction were established, revealing that Fe(III) predominantly exists as Fe(OH)₂⁺ under the experimental conditions at pH=5. The absorption spectrum of the Fe(III)-R1 complex was recorded across a pH range of 1–6, showing maximum absorbance at pH 5 and λmax = 540 nm. The method obeyed Beer’s law over the concentration range of 0.112–3.36 μg/mL. The Sandell sensitivity was calculated as 0.0049 mg/cm², and the extraction efficiency reached 99.4%. The detection limit was determined to be 0.032 μg/mL. The method was successfully applied to the determination of Fe(III) in environmental water samples from the Zira district of Baku. Results were consistent with those obtained by atomic absorption spectroscopy (AAS), confirming the accuracy and reliability of the proposed technique.
Abstract: Abstract The research demonstrates that thioether-based coordination complexes obtain their physicochemical properties and biological activity from both the metal ion type and the ligand molecular structure. The synthesized complexes showed tetrahedral coordination geometries, as evidenced by spectroscopic, magnetic, and conductivity measurements, which demonstrated that sulfur atoms function as the main donor sites. The behavior follows the soft donor–soft acceptor interaction framework, which allows the creation of stable metal–sulfur chemical bonds. The biological properties of metal coordination compounds produced better antibacterial effects than the unbound ligands. The improved results stem from two factors: enhanced lipophilicity after chelation, which enables better cell membrane penetration by bacteria, and decreased metal ion polarity due to electron delocalization within the chelate ring structure. The complexes become more accessible to the cell through these combined effects. The Ni(II) complex derived from ligand L1 exhibited the most effective antibacterial activity against both bacterial species. The d⁸ electronic configuration of Ni(II) leads to enhanced activity because it produces the best possible match between structural stability and electronic flexibility when the metal center binds to a tetrahedral coordination site. The compound shows better biological performance because its L1 structure contains a short ethylene bond, which produces a compact molecular arrangement that improves metal-sulfur bonding through its optimized metal-ligand electronic interactions. The research shows that thioether metal complexes exhibit antibacterial properties because their electronic structure interacts with their coordination and ligand structures in a combined manner, leading to the development of biologically active metal-based compounds.
Abstract: Abstract This study presents a comprehensive density functional theory (DFT) investigation into the stepwise reduction of nitrobenzene to aniline via nitroso and hydroxylamine intermediates. Two mechanistic pathways were explored: a non-catalyzed route in both gas and ethanol phases and a surface-catalyzed route facilitated by a palladium (Pd) catalyst. Geometry optimizations, thermodynamic parameters, frontier molecular orbital (FMO) analysis, and vibrational frequency (IR) simulations were carried out for all key species involved: nitrobenzene (Ph-NO₂), nitrosobenzene (Ph-NO), phenylhydroxylamine (Ph-NHOH), and aniline (Ph-NH₂). A comparison of gas-phase and solvent-phase geometries revealed solvent-induced elongation of N–O and N–H bonds, particularly in polar intermediates, consistent with ethanol’s stabilizing effect. FMO analysis showed a notable decrease in HOMO–LUMO energy gaps in the solvent phase, indicating enhanced reactivity. IR spectra further supported these findings, with observable shifts in characteristic stretching frequencies upon solvation. In the Pd-catalyzed pathway, adsorption of reactants and intermediates on the Pd surface significantly altered molecular geometries and lowered reaction energy barriers. Calculated adsorption energies and bond elongations suggest strong Pd–O and Pd–N interactions that facilitate bond activation. The overall energy profile indicates a smoother and more favorable reduction pathway on the Pd surface compared to the non-catalyzed routes. These results provide mechanistic insight into the catalytic role of Pd in hydrogenation reactions and highlight the importance of solvent effects in modulating electronic and structural properties. This comparative approach enhances our understanding of nitroarene reductions and offers valuable guidance for catalyst design and process optimization.
Abstract: Abstract Polyacrylic acid has been utilized to react with a variety of substances to create novel compounds with biological activity because it is a recognized safe material to work with. In this work, the AB chemical was created by reacting polyacrylic acid with benzidine. It was then combined with a class of cyclic aldehydes to create novel Schiff-base compounds with biological advantages. FT-IR and 1H-NMR spectroscopy were used to characterize them. Their melting point, solubility in various solvents, viscosity, and biological activity against gram-positive and gram-negative bacteria were all measured. Each sample's antioxidant activity was assessed and compared to ascorbic acid.
Abstract: Abstract Efficient processing of rapidly increasing plant waste, environmental safety, and sustainable use of resources have become important areas in the chemical industry in modern times. Grape seeds are rich in highly unsaturated fatty acids and polyphenol compounds and are selected as a promising raw material for the production of environmentally friendly, plant-based grape seed oils due to their high production as a by- product in the grape processing industry. The article studies the process of extracting oil from the seeds of “Madrasa” and “Bayan-Shira” grape varieties, which are waste, with the participation of solvents (hexane, acetone). The effect of the polarity difference of grape varieties and solvents on the yield and biochemical composition of grape seed oil was studied. 15.4% oil was obtained from the extraction of the seeds of the “Madrasa” grape variety with hexane, and 7.8% from the extraction of the seeds of the “Bayan-Shira” grape variety with acetone. Polyphenols and saturated fatty acids in the grape seed oil fraction were determined by gas chromatography. The presence of components such as chromophore groups, phenols, and tocopherols in the grape seed oil was analyzed by ultraviolet (UV) spectroscopy.
Abstract: Abstract Potassium-calcium-ammonium nitrate samples were obtained by varying the amounts of dolomite mineral (DM) and potassium chloride (KCl) from 0.5 to 25 g per 100 g of ammonium nitrate (AN) melt. The carbonate-chloride-nitrate melt was granulated by the prilling method. At 170 °C, the nitrate melt activated the dolomite mineral, converting CaO and MgO into plant-available forms. The simultaneous addition of DM and KCl significantly improved the mechanical strength of the fertilizer granules while reducing caking, porosity, and diesel fuel absorbency by a factor of 2–3 compared with AN granules containing magnesite. The optimal composition (AN:DM:KCl=100:12:12) was characterized by EDS, SEM, and DTA analyses, which confirmed its favorable structural and physicochemical properties. These findings demonstrate the potential of NKCaMg as a mechanically stable and agronomically effective fertilizer formulation.
Abstract: Abstract The current research aims to evaluate the photocatalytic activity of (TiO2) with various loading ratios (5%-60%) supported on mesoporous aluminosilicate (zeolite type) called Siral, with aluminum content ranging from 20% to 70%, to enhance the performance of degradation of ibuprofen (IBP) as a pharmaceutical pollutant. The batch reactor is furnished with solarium light to simulate sunlight UV for efficient degradation. The supported substance (Siral) exhibits elevated surface area and a regular mesoporous structure; hence, it might be regarded as an efficient photocatalyst support. The characterizations and effectiveness of the prepared catalyst were achieved by X-ray diffraction (XRD), Brunauer-Emmett-Teller (BET), scanning electron microscopy (SEM) and UV-visible spectroscopy. The results exhibit the highest photo-degradation ratio (90%) for (60% TiO2/Siral40) after 4 hours. The highest surface area is 448.3685 m²/g for 15% TiO₂/Siral40. The photodegradation efficiency increases as the weight percentage of TiO2 particles rises from 5 to 60 %. TiO2/Siral NCs photocatalysts demonstrate remarkable photostability and reusability, especially in organic molecule degradation.
Abstract: Abstract Moringa oleifera leaves have long been used in conventional medicine to treat a variety of ailments, including fever and sore throat. The close relationship between plants and human health has promoted the development of plant-based therapies, such as pharmaceuticals and nutritional supplements, thereby advancing traditional medicine and adding value to agriculture. In the present study, novel thiadiazole, Schiff base, and tetrazoline derivatives (H1, H2, and H3) were synthesized from nitrile-containing precursors obtained from the aqueous extract of Moringa oleifera leaves. The synthesis involved the reaction of the nitrile compound with thiourea in the presence of glacial acetic acid to form a heterocyclic thiadiazole intermediate, followed by condensation with an aromatic aldehyde to yield Schiff bases, and subsequent reaction with sodium azide to produce tetrazoline derivatives. The synthesized compounds were characterized by Fourier-transform infrared spectroscopy (FT-IR), melting point determination, and ¹H NMR spectroscopy. The biological activities of derivatives H1–H3 were evaluated against Staphylococcus aureus (Gram-positive), Escherichia coli (Gram-negative), and the fungal strain Candida albicans. Compared with standard drugs—ciprofloxacin for antibacterial activity and ketoconazole for antifungal activity—compound H3 exhibited superior antibacterial and antifungal activities. In addition, H3 demonstrated excellent antioxidant activity relative to ascorbic acid. POM analysis was further employed to identify promising pharmacophore sites within the synthesized compounds, highlighting their potential for pharmaceutical applications.
Abstract: Abstract. This brief review presents an analysis of data from the past five years on the "green" synthesis and catalytic activity of cobalt and copper nanoferrites, which are characterized by a wide range of applications. Due to their large reserves, availability, and abundance, plants are the best bioagents for the sol-gel synthesis of ferrites, which utilizes plant extracts along with precursors. Extracts can be obtained from leaves, fruits, roots, seeds, and flowers of plants, which contain polysaccharides, carbohydrates, phenols, flavonoids, terpenoids, and amino acids, which can act as chelating, reducing, and stabilizing agents for ferrite nanoparticles. Existing literature reviews examine the synthesis and application of green nanoferrites for water purification, heavy metal removal, their antibacterial activity, photocatalytic activity in the degradation of various dyes, and their potential use in biological processes. In contrast, this brief review focuses on a comparative analysis of methods for obtaining extracts from various plants, as well as the processing conditions of precursor and extract mixtures for ferrite synthesis. The influence of extract concentration and heat treatment method on the properties of the synthesized ferrites and nanoparticle size is examined. Examples of the few catalytic reactions involving nanoferrites synthesized by the sol-gel method using plant extracts are provided. The development of new nanoferrite-based catalysts using green chemistry methods, using plants, is a promising direction for the synthesis of various catalytic systems, both from an environmental and economic perspective.
Abstract: Abstract: The features of the crystal structure of bis(tert-butylcyclopentadienyltricarbonyl)molybdenum(I)) (tBuСр)2Мo2(СО)6 (1) have been established. Molecule (1), like the molecule of the unsubstituted complex Cp2Mo2(CO)6 (2)(Cp – C5H5), is in the trans-form. Both complexes (1) and (2) are sterically strained. However, the steric strain of molecule (1) is more pronounced, which is due to the steric interaction of the tert-butyl substituent with the trans-carbonyl (C12O3) group. Comparative analysis of structural parameters of complexes (1) and (2) made it possible to show that this interaction is reflected in changes in most structural parameters of complex (1). First of all, it is reflected in an increase in the Ct–Mo–C12 angle (Ct – is the centroid of the C5-ring), in a decrease in the Moi–Mo–C12 and C12–Mo–C11 angles, as well as in the rotation of the tBuСр ring around the Ct–Mo axis, away from the trans-С12О3 group. The rise of the cis-C11O2 group relative to the middle plane of the C5-ring is also accompanied by a reduction in non-valent contacts between cis-carbonyl ligands bonded to different Mo atoms ((С11О2)С…С(С10iО1i), ((С10О1)С…С(С11iО2i) (2.771 Å). The appearance of shorter non-valent contacts between the two halves (tBuCpMo(CO)3) of molecule (1) is not reflected in the length of the Mo–Mo bond (CIF file CCDC № 2243119).
Abstract: Abstract The stable metal complexes of transition metals with benzimidazole derivatives lead to improved physicochemical and biological properties of these compounds. The development of antimicrobial agents becomes possible through complex design based on benzimidazole-derived compounds. The research focused on creating and analyzing bis((1H-benzo[d]imidazol-2-yl)methyl)sulfane (L) as a benzimidazole-derived ligand and studying its Mn(II), Co(II), Ni(II), Cu(II), and Zn(II) metal complexes. The researchers synthesized the ligand and its metal complexes through sequential steps before using elemental analysis and FTIR and UV–Vis and 1H-NMR and conductivity and magnetic measurements for identification. The agar well diffusion method served to evaluate the antibacterial properties of the compounds against Staphylococcus aureus and Escherichia coli. The spectroscopic and analytical results showed that the imidazole nitrogen atoms of the ligand act as binding sites, while the thioether sulfur atom does not participate in coordination. The complexes showed tetrahedral structures that existed as [M(L)2]Cl2 or [M2(L)2(H2O)2]Cl2 compounds. The results from antibacterial tests revealed that metal complexation led to substantial improvements in biological activity. The Cu(II) complexes produced the largest inhibition zones, while the Zn(II) complexes showed the second-highest activity, and both complexes displayed better effects against S. aureus than E. coli. Benzimidazole-based ligands serve as effective building blocks for creating transition metal complexes, which show promising antimicrobial activity according to the research findings. The improved activity of Cu(II) and Zn(II) complexes indicates that chelation enhances both lipophilicity and bacterial membrane permeability.
Abstract: Abstract This study reports the synthesis of a series of oxazepine derivatives via a condensation reaction between amines and various benzaldehyde derivatives, using benzene as the solvent. The resulting intermediates were subsequently reacted with pyridine-5,7-dione anhydride in dry benzene to afford oxazepine derivatives (H1–H6). The synthesized compounds were characterized by Fourier-transform infrared (FT-IR) spectroscopy, proton nuclear magnetic resonance (¹H-NMR) spectroscopy, and mass spectrometry. Reaction progress was monitored using thin-layer chromatography (TLC). The antioxidant activity of compounds H1–H6 was evaluated and compared with that of vitamin C. In addition, molecular docking studies were performed for selected compounds (H1, H4, and H6) against tyrosinase (PDB ID: 3NM8) to identify optimal binding sites and evaluate interactions with neighboring residues. The docked complexes exhibited RMSD values of 1.16, 1.40, and 1.30 Å for H1, H4, and H6, respectively. Among the tested compounds, H4 showed the highest binding affinity, in good agreement with the experimental results. Overall, the synthesized oxazepine derivatives demonstrated moderate antioxidant activity, warranting further in vivo investigation.