Doklady Chemistry最新文献

A simple and efficient method was developed to synthesize triazole, oxadiazole derivatives. The newly synthesized compounds were confirmed by their IR, ¹H and ¹³C NMR, and mass spectral data. Molecular docking studies have been performed for all the derivatives.

The article presents results of analyses on the development of a method for increasing the volume of hydrocarbon raw materials through waste processing, specifically oil sludge. The study examined and identified the optimal parameters for the mixing process of oil sludge and solvent. Results are presented on the influence of the structural parameters of a conventional mixer on mixing efficiency and the impact of the structural parameters of the proposed mixer on mixing efficiency. The number of phases separated during the division of diluted oil sludge is provided, along with the results of distillation of the oil product extracted from the oil sludge. A new process line for oil sludge processing was presented and a modernized agitator was used to stir the mixtures.

Colorectal carcinoma (CRC) is one of the most often detected tumors of the digestive tract and the leading cause of cancer-related mortality worldwide. The present study demonstrates that synthesis and inhibitory potential of 1,3-thiazin-6-ones in vitro against colorectal cancer cells and investigated the underlying mechanism. The study revealed that 1,3-thiazin-6-one effectively targets proliferation potential of HT-29 and HCT116 cells and markedly reduced colony formation capacities without any harmful effect on NCM460 normal cells. Transwell assay showed that 1,3-thiazin-6-one treatment at 32 µM markedly suppressed invasion potential of HT-29 and HCT116 cells. It was observed that 1,3-thiazin-6-one treatment could markedly reduce NRP2 expression in HT-29 and HCT116 cells. It was also observed that the expression level of E‑cadherin was significantly increased while the levels of N‑cadherin and Vimentin were significantly decreased by 1,3-thiazin-6-one treatment in HT-29 and HCT116 cells. In silico data using AutoDock vina and Discovery Studio software revealed that 1,3-thiazin-6-one binds to NRP2 and vimentin proteins with binding affinity of –6.5 and –7.4 kcal/mol, respectively. It was found that vimentin protein binds to 1,3-thiazin-6-one through LEU (D:393), ILE (C:397), ASP (C:394), GLU (D:396), ALA (C:398), and ARG (C:401) amino acid residues. Moreover, the interaction of 1,3-thiazin-6-one with NRP2 protein involves ILE (A:348), ARG (A:421), ARG (A:350), GLN (A:353) and HIS (A:312) amino acid residues. In summary, 1,3-thiazin-6-one inhibited proliferation, colony formation potential and invasiveness of the CRC cells by targeting the expression of NRP2. Moreover, it promoted the expression of E‑cadherin and targeted the levels of N‑cadherin and Vimentin in HT-29 and HCT116 cells. Thus, 1,3-thiazin-6-one may be developed as a therapeutic agent for the treatment of colorectal cancer.

This work investigates the impact of ZnO nanoparticle incorporation (at 0, 1, and 2 wt %) on the mechanical and thermal characteristics of nylon. Nylon/ZnO nanocomposites were fabricated through a two-step process involving dry mixing followed by single-screw extrusion. Tensile testing at varying strain rates (0.02–2) revealed strain rate hardening behavior for both neat nylon and nanocomposites. All three primary mechanical properties ultimate tensile strength (UTS), yield strength, and tensile modulus exhibited strain rate sensitivity. Furthermore, nanoparticle incorporation led to significant enhancements in these properties, with the 2 wt % ZnO nanocomposites displaying a 45% increase in tensile modulus and a 26% increase in UTS compared to neat nylon. Thermogravimetric analysis (TGA) demonstrated improved thermal stability for the nanocomposites, while differential scanning calorimetry (DSC) indicated a moderate increase in glass transition temperature (({{T}_{{text{g}}}})). A nonlinear model was developed to capture strain rate-dependent behavior of both neat nylon and nanocomposites based on tensile test data. This study shows 2 wt % ZnO nanocomposite exhibits superior mechanical performance, with a 23.4% increase in tensile modulus compared to neat nylon. While ZnO nanoparticles significantly enhance the mechanical properties of nylon, they have a minimal impact on ductility.

Granular activated carbon-supported nano zero-valent iron-copper bimetallic composite(nZVI-Cu@GAC) was synthesized using the chemical liquid-phase reduction method. The morphology and physicochemical properties of the material were analyzed using scanning electron microscopy (SEM), a fully automatic specific surface area analyzer (BET), Fourier-transform infrared spectroscopy (FTIR), and X-ray photoelectron spectroscopy (XPS). The removal efficiency of N-nitrosodimethylamine (NDMA) by different materials was compared, and the adsorption process was further investigated using adsorption kinetics and isotherm models. The results showed that nZVI-Cu was well dispersed on the surface and in the pores of GAC. Among the tested materials, nZVI-Cu@GAC (Fe/Cu = 1/0.05, m/m) demonstrated the best NDMA removal efficiency, achieving a removal rate of 85.8%. The degradation process of NDMA by the composite material followed pseudo-second-order kinetics and the Freundlich model, indicating that the removal process was predominantly chemical adsorption and characterized by bimolecular layer adsorption on a heterogeneous surface. The nZVI-Cu@GAC (Fe/Cu = 1/0.05, m/m) composite exhibited the fastest adsorption rate, muscular adsorption capacity, and facile adsorption process. The removal of NDMA by nZVI-Cu@GAC was accomplished through the combined effects of GAC adsorption and nZVI-Cu chemical reduction. In conclusion, the nZVI-Cu@GAC composite material can effectively remove NDMA from water and holds better application prospects.

Doped silicon nanoparticles combine material availability and biocompatibility with a wide variety of functional properties. The review focuses on the methods of fabrication of doped silicon nanoparticles, the prevalent of those being chemical vapor deposition, annealing of substoichiometric silicon compounds, and diffusion doping. Data on the achieved doping levels have been summarized. For the important case of phosphorus, it has been shown that an impurity excessive relative to its solubility in silicon crystals is electrically inactive. The patterns of intraparticle dopant distributions studied in the last decade using powerful techniques of atom probe tomography and solid-state NMR are presented. The promising optical and electrophysical properties of doped silicon nanoparticles are considered, and the significant role of the position of dopants in the design of a material with the desired properties is exemplified by plasmonic behavior.

3,5-Dioxo-1,7-heptanedials, 3,5-dioxo-1,7-heptanediols, and derivatives of 1,3-dioxo-1,7-heptanediboxylic acid have been synthesized for the first time by the low-temperature ozonolysis of 1,3-dioxepins. It has been shown that intermediate ozonolysis products, peroxy compounds, depending on decomposition conditions can produce corresponding individual dialdehydes, diols, and diesters with high selectivity.

In this work, by means of bio-strips and cytotoxic potentials of chemical reactions, the decisive impact of solvent choice on the “overall cytotoxicity” of the process is shown by example of 36 routes of 1,1′-biphenyl synthesis.

Heterocyclic compounds are crucial for medicinal chemistry and the development of therapeutic agents like broad-spectrum antibiotics. This study devised a facile procedure to synthesize novel antimicrobial bicyclic heterocycles from 2-mercapto-3-phenylquinazolin-4(3H)-one. Advanced analytical techniques including ¹H and ¹³C NMR, elemental analysis, and FT-IR spectroscopy characterized the intricate chemical structures of the products. In vitro assays tested the heterocycles against aerobic and anaerobic bacterial strains using fluconazole and ciprofloxacin as antifungal and antibacterial controls. Results demonstrated the formidable broad-spectrum antibacterial and antifungal activities of the synthesized compounds, with growth inhibition approaching that of the positive controls. These findings highlight the immense potential of these novel heterocyclic compounds as antimicrobial agents. Further research can optimize their drug-like properties for eventual clinical use in combating drug-resistant infections.

The surface of an amorphous cobalt-based alloy with a nominal composition of Co75Si15Fe5Cr4.5Al0.5 was modified with nanostructures by anodizing in an ionic liquid—1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide. The magnetic (specific saturation magnetization and coercive force) and corrosion (corrosion potential and resistance) characteristics of an amorphous alloy before and after electrochemical modification of the surface with nanostructures have been compared. Modification of the alloy surface partially changes its magnetic properties. After corrosion tests, an increase in the coercive force is observed. Corrosion tests were carried out using the polarization curve method in Ringer’s solution. The corrosion resistance of alloys modified with oxide nanostructures is higher than the corrosion resistance of an abrasive-treated alloy. The increase in corrosion resistance is determined mainly by the presence of nanostructures.