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).

A sequence of 6-(6-(methylthio)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [5a], 6-(6-(ethylthio)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [5b], 3-phenyl-6-(propylthio)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [5c] has been designed. The spectral analyses validated the synthesis of novel 6-(Alkylthio)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, which was examined using FT-IR, 1H-NMR, 13C-NMR, and mass spectrometry. The ADME profiles demonstrated favorable oral bioavailability and pharmacokinetic characteristics. These parameters were investigated because many synthesized compounds often fail at later stages of drug discovery and development due to poor pharmacokinetic behavior. The SwissADME analysis provided theoretical insights into pharmacokinetics, revealing that most of the designed compounds exhibit high gastrointestinal absorption and do not cross the blood–brain barrier (BBB). This finding is particularly relevant for oral drugs targeting the gastrointestinal system, indicating their potential for good oral bioavailability. Overall, the newly synthesized compounds show promising pharmacokinetic properties, being well absorbed, distributed, metabolized, and excreted according to the SwissADME predictions. Therefore, these compounds may serve as viable candidates for further drug development. An in silico ADME evaluation was also conducted to assess their drug-likeness and support their potential as novel therapeutic agents. Anticancer evaluations demonstrated that the compounds had action against HepG2 and WRL68 cell lines. The synthesized chemical exhibited a pronounced cytotoxic impact on the HepG2 cell line (μg/mL 99.73), whereas little cytotoxicity was detected in normal human cells (WRL68 cell line).

In this study, hydrazone and thiazolidine derivatives were synthesized. The hydrazone derivatives (F2–F6) were prepared from 3-bromomethylbenzohydrazide, followed by their reaction with thioglycolic acid to form thiazolidine derivatives (F7–F11). The structures of the synthesized compounds were confirmed through physical changes, such as variations in melting point and color, in addition to spectroscopic analyses, including FT-IR, ¹H-NMR, and ¹³C-NMR. The antibacterial activity of the synthesized compounds was evaluated against two types of bacteria: Escherichia coli and Staphylococcus aureus. The compounds showed varying activity levels ranging from good to excellent.

For many years lime mortar has been an indispensable building material used in all countries of the world. The position of lime mortar for restoration work has especially increased. Since one of the main factors of durability of historical and cultural monuments is the quality of mortar, it is necessary to select such components of mortar composition that determine its quality and durability. One of the most common methods of modifying the structure of composite building materials is the introduction of highly active micro- and nano-additives into their composition. Natural zeolites are used as additives to cement. Zeolites have attracted the attention of modern builders because of their unique mineralogical, chemical, and macroscopic properties. We have carried out a study of the influence of mineral additives (natural zeolite-clinoptilolite from different deposits) on the strength of lime mortar. Its composition, structure, and mechanical properties were determined using physicochemical methods of research.

A methodology has been proposed to improve the efficiency of the industrial straight-run gasoline pyrolysis process, in which part of the gasoline deficit is compensated by propane. The procedure consists of two stages. In the first stage, a theoretically substantiated mathematical model of gasoline pyrolysis is applied to determine the operating parameters that maximize the total yield of ethylene and propylene. In the second stage, a mathematical model of propane thermal cracking is used to define the propane feed that provides the maximum yield of target products at the optimal temperature obtained in the first stage (Topt = 1123 K).

The study focused on the synthesis and characterization of mixed-ligand transition metal complexes containing the oxime-based ligand 4-(4-bromophenylaminoisonitrosoacetyl)biphenyl (HL) and the amino acid L-phenylalanine (Phe). Complexes of Co²⁺, Ni²⁺, Cu²⁺, and Zn²⁺ were prepared, and their physicochemical properties were systematically investigated. Elemental analysis, molar conductivity measurements, infrared (IR) spectroscopy, and nuclear magnetic resonance (NMR) spectroscopy were employed to elucidate the structural characteristics and coordination modes of the ligands. The results confirmed the formation of stable 1:1:1 metal–ligand–amino acid complexes, with both HL and Phe acting as bidentate ligands. Molar conductivity data indicated the non-electrolytic nature of the complexes in solution. These findings offer valuable insights into the electronic and structural features of the synthesized complexes, underlining their potential applications in catalysis, sensing technologies, and electronic devices.

The thermal reduction of ferrocene in a hydrogen atmosphere was investigated over the temperature range of 573–1173 K, focusing on both the gaseous and solid products formed during the process. The gas-phase products (hydrocarbons) and solid products (nanosized iron particles) formed during the reaction were identified. It was shown that, in contrast to the pyrolysis of ferrocene, which produces nanosized iron particles, iron carbide, and carbon, the thermal decomposition of ferrocene in a hydrogen flow yields only nanosized iron particles as the solid product. Furthermore, it was observed that the presence of hydrogen during decomposition leads to the formation of smaller nuclei, which enhances the initiation and growth of nanoparticles more intensively. FMR spectra and X-ray diffraction patterns of the solid residues from the thermal decomposition of ferrocene were obtained and analyzed. The dependence of these patterns on the conditions of thermal decomposition was also demonstrated. The presented results provide direct experimental evidence of the initial stages of the decomposition of Fe(C5H5)2 through detailed analysis of the gas-phase composition. These findings can be applied to improve the modeling of processes involved in the growth of ultra-high-temperature materials (UHTs) and thin films, thereby enabling more efficient synthesis of nanomaterials.

In the present study, office waste paper was employed as feedstock for bioethanol production. Lignocellulosic material was pre-treated with dilute sulphuric acid (5 %) to release monomeric sugars. Acid pretreatment of waste papers was carried out at different ratios of 10, 15, and 20 ml for each 1 gm of raw material to obtain the best yield of hydrolysate. After the pH adjustment of each paper hydrolysate, the hydrolysate was subjected to fermentation and distillation processes respectively. The fermentation process was performed using Saccharomyces Cerevisiae to convert the released sugars to bio-ethanol as a main product. The highest bio-ethanol yield (28.3%) was obtained at a high concentration from the yeast fermentation using waste paper pretreated with acid at a ratio of 10:1 ml/gm (liquid to solid). Economically, office waste paper is a suitable raw material for sustainable bio-ethanol production. Furthermore, bioethanol obtained was blended with pure gasoline at increasingly higher concentrations. A gasohol was homogenously mixed with four formulated fuels such as gasoline blend (E0), gasoline–5% bio-ethanol blend (E5), gasoline–10% bio-ethanol blend (E10), and gasoline–15% bio-ethanol blend (E15). It is critical to investigate the effect of various bio-ethanol blends on the characteristics and performance of internal combustion fuel. These binary mixtures were tested using density, Ried vapor pressure (RVP), and Research Octane Number (RON) tester according to the ASTM-D4052, ASTM-D6378, and ASTM-D2699 respectively under selected operating conditions. The results obtained revealed that the addition of gasoline–bioethanol blend decreases the RVP value of the fuel blend, whereas the RON and density increase because bioethanol has a high octane rating compared to conventional gasoline, resulting in enhanced gasoline’s performance in internal combustion engines. Overall, the RON of gasohol was enhanced remarkably with the increase in ethanol ratio.

The present work demonstrates the thermodynamic study of copper arsenides using electromotive force measurements with a solid Cu⁺ conductive electrolyte, Cu₄RbCl₃I₂, within the temperature range of 300440 K. Measurements were performed using the equilibrium samples from the Cu₃As + As, Cu₃As + Cu₈As, and Cu₈As + (Cu) two-phase regions of the Cu-As system. The phase compositions of all samples were controlled using the powder X-ray diffraction method. The partial molar functions of copper in alloys, as well as the standard thermodynamic functions of formation and standard entropies of the Cu₃As, Cu₈As compounds, as well as, the Cu₀.₉₄As₀.₀₆ solid solutions based on copper, were calculated. A thermodynamic study of the Cu₈As compound and the Cu₀.₉₄As₀.₀₆ solid solution has been carried out for the first time in the current contribution. Thermodynamic properties for the Cu₃As compound obtained in this work have been analyzed compared with the available literature data.

New complex compounds of palladium (II) with the biologically active ligand 2-ethyl-6 methyl-3hydroxypyridine – mexidol were synthesized in acidic (pH=5.3) and slightly alkaline (pH=7.5) media, respectively, of the following composition: (C8H12ON+)2[PdCl4] – (HL)2[PdCl4] (I) and [Pd(C8H11NO)2Cl2] – [PdL2Cl2] (II). In complex I, two ligand molecules are protonated and occupy the outer coordination sphere as singly charged cations. In complex II, the ligands are coordinated monodentately via the nitrogen atom in the trans-position to each other. Complexes I and II were tested for radioprotective properties. The toxicity of complexes I and II is LD50 - 240 mg/kg and 256 mg/kg of animal weight, respectively. The biological test showed that complexes I and II, along with radioprotective properties, also have some antitumor activity.