A series of N-(5-(alkylthio)-1,3,4-thiadiazol-2-yl)acetamides and their 2-chloro analogues were synthesized via the acylation of 2-alkylthio-5-amino-1,3,4-thiadiazoles using acetyl chloride and chloroacetyl chloride. Structural characterization was performed using spectroscopic methods, with selected derivatives further confirmed by single-crystal X-ray analysis. The in vitro cytotoxic activity of the synthesized compounds was evaluated against a panel of cancer cell lines (CCRF-CEM, HEp-2, HeLa, and HBL-100) and normal cells. While the parent compounds and acetyl derivatives exhibited negligible activity, the chloroacetyl-substituted derivatives showed significantly enhanced cytotoxicity. The most potent derivatives demonstrated IC50 values of approximately 10 μM against CCRF-CEM cells, comparable to the reference drug cytarabine. However, the compounds displayed low selectivity toward cancer cells over normal cell lines. These results indicate that the incorporation of a chloroacetyl moiety is critical for increasing the cytotoxic potency, although its high reactivity may reduce therapeutic selectivity. Therefore, further structural optimization is required to improve selectivity and therapeutic potential.

The alcohol C₁₅H₂₄O was synthesized via the hydroboration–oxidation of α′-trans-himachalene using 9-BBN in tetrahydrofuran (THF), followed by oxidation with H₂O₂/NaOH in an aqueous medium. The chemoselectivity of the reaction was investigated theoretically through Molecular Electron Density Theory (MEDT). Computational results, supported by Parr functions, Electron Localization Function (ELF) analysis, and energy calculations, accurately predict the preferred reaction pathway. Molecular docking studies against SARS-CoV-2 main protease (PDB: 6LU7) suggest that the functionalized alcohols may serve as promising antiviral candidates.

The study included calculating levels of lead, cadmium, zinc, copper, nickel, chromium, and iron in the Baghdad Belt region using geochemical indicators, including the Integrated Pollution Index (IPI) and the Risk Index (RI). Data variations were observed between the agricultural and industrial areas studied, reflecting differences in heavy metal levels. The highest concentrations of lead (89 mg/kg), cadmium (1.9 mg/kg), zinc (133 mg/kg), copper (77 mg/kg), nickel (91 mg/kg), chromium (100 mg/kg), and iron (25,000 mg/kg) were recorded in Abu Ghraib. Pollution indices showed moderate to severe levels, ranging from 1.23 in Al-Tarmiya to a maximum of 2.28 in Abu Ghraib.

Pesticides are extensively used in agriculture to protect crops from pests and diseases, but their persistence in soil can pose environmental and health hazards. Sustainable pest control and environmental preservation depend on an understanding of the variables that affect pesticide degradation. This study synthesizes current knowledge on the biotic and abiotic factors impacting pesticide degradation in agricultural soils. Key determinants include soil physicochemical parameters such as pH, texture, and organic matter, ambient conditions including temperature, moisture, and light, as well as biological activity and farming practices.

The design of new high-performance donor materials remains a major challenge for improving organic solar cells (OSCs). In this study, four N-fused heterocyclic small-molecule donor analogues symmetrically end-capped with 2-(2-thienylmethylene)malononitrile units were theoretically investigated by DFT and TD-DFT methods. The studied systems consist of a zolpidem-inspired analogue (M1), a temozolomide-inspired analogue (M2), a tryptanthrin-inspired analogue (M3), and an extended tryptanthrin-like fused analogue (M4). Their electronic, optical, and photovoltaic properties are analyzed to evaluate their suitability for OSC applications.

In the present paper, the super-magnetic iron oxide nanoparticles (Fe₃O₄), functionalized with amine (–NH₂) and carboxyl (–COOH) groups were developed as efficient heterogeneous catalysts for synthesizing the fentanyl citrate compound. The structural analyses (FT-IR, SEM, TEM) have confirmed the successful surface modification while preserving particle morphology and magnetic behavior. The catalysts have exhibited excellent performance across key synthetic steps, enabling high yields under mild conditions and maintaining substantial activity after three consecutive cycles.

The degradation of pesticides plays a crucial role in mitigating their environmental impact and determining their persistence in soil and water systems. This review explores the underlying mechanisms and pathways involved in the degradation of various pesticides, emphasizing hydrolysis, photolysis, oxidation, and microbial degradation processes. The influence of environmental factors such as pH, temperature, and light on degradation rates is also discussed. Understanding these mechanisms is essential for developing effective pesticide management strategies and designing environmentally friendly compounds.

This theoretical study examines six bipyridine-based organometallic dye-sensitized complexes (DSSCs) formulated to improve photovoltaic performance. We did quantum chemical studies on six different bipyridine complexes with the general formula M LL′ (where LL′ = NN, PN, or PP). The metal center M was either Ni or Ru. Using DFT/TD-DFT/B3LYP/SDD/6-31+G(d,p), we looked at the electronic structures, frontier molecular orbitals (FMOs), and other electronic and optical properties. We calculated important parameters, including (UV-Vis) absorption spectra, (Voc), energy gap (Eg), and others, to find the complexes that would work best for photovoltaic applications

Pyrrole and its derivatives are representatives of azaheterocyclic systems with a powerful synthetic range, pronounced biomedical potential, and wide application. In addition, the pyrrole cycle is a basic structural element of vital porphyrin macrocycles, which are key fragments of chlorophyll, heme, vitamin B12, and bile pigments. In recent decades, significant attention of researchers focused on developing methods for obtaining various types of functionalized pyrroles as potential sources of bioactive compounds. Among them, pyrrole derivatives with a synthetically significant aldehyde group and halogen atoms are of particular interest. At the same time, the mass of accumulated original works devoted to the synthesis and chemical transformations of most of their types requires generalization. This, in turn, became a strong basis for a detailed analysis and systematization of methods for the synthesis and directed structural modification of halogenated (di)formylpyrroles in reports published during 2000-2025.

Through cyclization of 4-(dichloromethylene)-5-(aminosulfonylimino)imidazolidin-2-ones by formaldehyde action series of 8-(dichloromethylene)-3,4,7,8-tetrahydro-6H-imidazo[5,1 c][1,2,4,6]-thiatriazin-6-one 2,2-dioxides were synthesized. The PMB-deprotection from the 3rd position of created heterocyclic system and further 3N-alkylation were realized. Their structure parameters were discovered by NMR experiments and X-Ray analysis. The separate products (with allyl, carbethoxymethyl, 2-N-Boc-aminoethyl, 2-(N-Boc-N-isopropoxymethylamino)ethyl substituents in position 3) demonstrated high antiproliferative activity.