Background: In the era of resistance, the design and search for new “small” molecules with a narrow spectrum of activity that target a protein or enzyme specific to a certain bacterium with high selectivity and minimal side effects remains an urgent problem of medicinal chemistry. In this regard, we developed and successfully implemented a strategy for the search for new hybrid molecules, namely, the not broadly known [2-(3-R-1H-[1,2,4]-triazol-5-yl)phenyl]amines. They can act as “building blocks” and allow for the introduction of certain structural motifs into the desired final products in order to enhance the antistaphylococcal effect. Methods: The “one-pot” synthesis of the latter is based on the conversion of substituted 4-hydrazinoquinazolines or substituted 2-aminobenzonitriles and carboxylic acid derivatives to the target products. The possible molecular mechanism of the synthesized compounds (DNA gyrase inhibitors) was investigated and discussed using molecular docking, and their further study for antistaphylococcal activity was substantiated. Results: A significant part of the obtained compounds showed high antibacterial activity against Staphylococcus aureus (MIC: 10.1–62.4 µM) and 5-bromo-2-(3-(furan-3-yl)-1H-1,2,4-triazol-5-yl)aniline and 5-fluoro-2-(3-(thiophen-3-yl)-1H-1,2,4-triazol-5-yl)aniline, with MICs of 5.2 and 6.1 µM, respectively, approaching the strength of the effect of the reference drug, “Ciprofloxacin” (MIC: 4.7 µM). The conducted SAR and ADME analyses confirm the prospects of the further structural modification of these compounds. The obtained [2-(3-R-1H-[1,2,4]-triazol-5-yl)phenyl]amines reveal significant antimicrobial activity and deserve further structural modification and detailed study as effective antistaphylococcal agents. The SAR analysis revealed that the presence of a cycloalkyl or electron-rich heterocyclic fragment in the third position of the triazole ring was essential for the antibacterial activity of the obtained compounds. At the same time, the introduction of a methyl group into the aniline moiety led to an enhancement of activity. The introduction of halogen into the aniline fragment has an ambiguous effect on the level of antistaphylococcal activity and depends on the nature of the substituent in the third position. Conclusions: Obtained [2-(3-R-1H-[1,2,4]-triazol-5-yl)phenyl]amines reveal significant antistaphylococcal activity and deserve for further detailed study as effective antibacterial agents.

TNT (2,4,6-trinitrotoluene) and its derivatives make a significant contribution to the pollution of the water environment caused by hostilities in Ukraine, but the effects of TNT on hydrobionts have been little studied. In a model experiment, the effect of TNT in concentrations of 10 –75 mg/L on the mortality rate of Daphnia magna crustaceans was observed during 96 hours, and LD₅₀ = 41.8 mg/L was calculated. Impact of TNT on Carassius gibelio fish metabolic processes and red blood cells characteristics were studied during chronic (21 days at a dose of 5 mg/L) and acute (eight hours at a dose of 35 mg/L) experiments. A sharp increase in lipid peroxidation and glutathione S-transferase activity were recorded in the blood and spleen of Carassius gibelio during the chronic TNT action indicating the state of power oxidative stress and detoxification mechanisms activation. Both chronic and acute exposure to TNT caused an increase in the destructive changes in red blood cells of Carassius gibelio as compared to control, including size and shape variation, decreased hemoglobin content, nuclear shift, and cell division disruption. Cytoplasmic vacuolization in fish erythrocytes was detected under the influence of both TNT concentrations, while karyolysis only under acute exposure. The obtained data testify to the severe pathological consequences of 2,4,6-trinitrotoluene impact on the viability and functional state of aquatic organisms under the model conditions and dictate the need to conduct similar studies in the natural polluted aquatic ecosystems to identify ways of their restoration. 

In this paper, we have examined the performance of PbO₂ anodes in the EC degradation of MTBE. It was shown that electrochemical oxidation of MTBE at lead dioxide anodes is effective method of anodic conversion of the organic pollutant to acetic acid as untoxic product. Proposed method is formally reagent treatment of water at the same time it does not need addition of any reagent in reaction media. All needed reagents formed directly from the solvent (water) thanks to electrochemical reactions. According to obtained data the main electrochemical stages of the process of anodic conversion of MTBE are formation of hydroxyl-radicals and molecular oxygen. Then formed compounds take part in stages of chemical MTBE oxidation and intermediate species that led to deeper oxidation to form acetic acid as the result. Proposed mechanism of MTBE electrochemical oxidation is in satisfactory agreement with experimental data. Dependence of MTBE conversion rate from the nature of micro-doped and composite lead dioxide anodes is explained by difference in hydroxyl-radical bond strength with an electrode surface that determined it reaction ability in secondary chemical reactions of organic compounds oxidation.

The chemotaxonomic value of phytocompounds heterogeneity in inflorescences of different plants the same genus was tested by analyzing the phytochemical profiles of inflorescences hexane extracts of Sorbus aria species and three natural hybrids for which this species is the parental. Specific distribution of saturated and unsaturated fatty acids, aldehydes, alcohols, alkanes, terpenoids, nitrogen-containing and sulfur-containing compounds identified by the GC-MS was found in the floral extracts. Multivariate analysis of obtained data determined two principal components that described 84.4 % of metabolites total variance, and established the phytocompounds that corresponded to the greatest extent to the inflorescence’s identity. Cluster analysis showed different relatedness levels between the parental species S. aria and the hybridogenic species S. hybrida, S. latifolia, and S. intermedia. The multivariate analysis results agree with the studied natural hybrids known genetic data, which confirms the chemotaxonomic value of the inflorescences chemical diversity and determines the prospects of such a direction of research.