Acta Chimica Slovenica最新文献

Cancer remains a leading cause of death worldwide, necessitating novel therapeutic approaches. In this study we synthesized and characterized 2-amino-3-carbonitrile chromene derivatives and evaluated their cytotoxic effects on 3T3 and MCF-7 cell lines. Characterization included melting point, IR, NMR, and elemental analysis. Cytotoxicity was assessed via MTT assay, with IC50 values calculated, while apoptosis induction was confirmed by flow cytometry using annexin V/propidium iodide staining. Compounds 4f and 4h demonstrated significant cytotoxicity against breast cancer cells, with IC50 values of 4.74 and 21.97 µg/ml and selectivity indices of 3.83 and 2.80, respectively. Increased apoptotic cell populations support their pro-apoptotic potential. These findings indicate that the chromene derivatives, synthesized via a one-pot method, may serve as promising candidates for further anticancer drug development.

Novel families of thiazolidine-2,4-dione and imidazolidine-2,4-dione derivatives were synthesized. Thiazolidine-2,4-dione 3 was prepared using chloroacetic acid and thiourea, followed by condensation with terephthalaldehyde to form 4-((2,4-dioxothiazolidine-5-ylidene)methyl)benzaldehyde 4. This compound reacted with 2-aryloxyacetohydrazides 8a-b to yield Schiff bases 9a-b. Imidazolidine-2,4-diones 13a-c were synthesized via cyclizing of anilines 10a-c, urea 11, and chloroacetic acid 12. The compounds 9a-b and 13a-c were evaluated for antitumor activity against the Caco-2 cell line, compounds 13b and 13c exhibiting the highest potency (IC50 values of 41.30 ± 0.07 μM and 109.2 ± 0.027 μM, respectively). DFT calculations, including HOMO-LUMO analysis, energy gap estimation, and molecular docking, were conducted to evaluate and optimize the molecular properties of the target compounds.

In this study, the plants Eucalyptus globulus (E. globulus), Jasminum officinale (J. officinale), and Solanum nigrum (S. nigrum) are investigated for their antibacterial, antioxidant, and therapeutic properties. The extraction solvents (aqueous, methanol, ethanol, and butanol) were used for phytochemical screening, antibacterial activity while aqueous extracts were specifically used for antioxidant analysis. The quantitative determination showed that the highest phenolic and tannin content was found in J. officinale, while highest flavonoid and alkaloids levels were found in E. globulus among the tested species. The disc diffusion method was followed for assessing the antibacterial activity against Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus). All extracts of E. globulus leaves showed antibacterial activity against E. coli and S. aureus. The aqueous extracts on FTIR showed quercetin, benzoic, salicylic, gallic, ferulic, and ascorbic acid. Furthermore, in silico analysis to assess the interaction of selected bioactive compounds, quercetin and benzoic acid, found in E. globulus, were docked with haemagglutinin and neuraminidase, as these influenza virus surface proteins play an important role in the virus's ability to infect host cells. Salicylic, gallic, ferulic, and ascorbic acid from J. officinale and S. nigrum, were docked with GABA receptor-associated proteins, which are important in synaptic transmission and plasticity.

The present study evaluated the inhibition performance of expired prednisolone against the corrosion of AISI 1020 carbon steel in a 3.5% sodium chloride medium. The inhibition effectiveness was evaluated using electrochemical impedance spectroscopy, potentiodynamic polarization, gravimetric measurements, and surface characterization techniques. Data obtained from the polarization studies indicated that prednisolone acted as mixed-type inhibitor. Electrochemical impedance spectroscopy results revealed an increase in charge transfer resistance with rising inhibitor concentration. The inhibitor showed a maximum inhibition efficiency of 90% at 298 K. The interaction between the steel surface and the inhibitor was determined to be physisorption, consistent with the Langmuir adsorption isotherm model. The corrosion inhibition performance of prednisolone decreased with increasing temperature, reaching 79.42% at 328 K. Surface characterization showed that the inhibitor significantly reduced the corrosion on the metal surface.

A copper complex containing mixed ligands [Cu(MCA)(Phen)·3H2O)] (HMCA = 3-hydroxy-2-methylquinoline-4-carboxylic acid, Phen = 1,10-phenanthroline) was prepared by the hydrothermal method. Structure was characterized by single crystal X-ray diffraction. Solid state fluorescence photoluminescence measurement shows a strong emission peak at 620 nm, which is attributed to the characteristic electronic transitions and molecular stacking effects within the ligand. CIE color difference analysis indicates that the title complex exhibits red photoluminescence (chromaticity coordinates of 0.1256, 0.2418). In addition, solid-state UV-Vis diffuse reflectance experiments revealed that the titled complex has an energy band gap of 1.578 eV.

To extend the use of supported ionic liquids as effective heterogeneous catalysts, in this research, the ionic liquid immobilized on magnetic lignin (Fe3O4-lignin-SO3/IL) was used as an environmentally friendly, and recyclable catalyst for the synthesis of dihydropyrano[3,2-c]chromene derivatives via a one-pot reaction between aromatic aldehydes, malononitrile, and 4-hydroxycoumarin. This method offers the benefits of high yield, short reaction times, straightforward processing, and its potential for green applications in pharmaceutical and chemical sectors. Furthermore, the detailed role of Fe3O4-lignin-SO3/IL as a catalyst in chemical reactions was examined, providing insights into its mechanism and potential uses in organic synthesis and other chemical processes.

Two series of new 1,3,4-thiadiazole derivatives were synthesized through heterocyclization of methyl 2-(3,5-dibromo-2-hydroxybenzylidene)hydrazine-1-carbodithioate (4) and methyl (E)-2-(1-(5,7-dibromobenzofuran-2-yl)ethylidene)hydrazine-1-carbodithioate (5) with various hydrazonoyl chlorides, respectively. The structures of the newly synthesized products were elucidated through elemental analysis and spectral data. Eight new compounds from the first series (i.e. containing dibromohydroxybenzene moiety) were evaluated for their antimicrobial activity against Staphylococcus aureus ATCC 6538-P as the Gram-positive bacteria, Escherichia coli ATCC 25933 as the Gram-negative bacteria, Candida albicans ATCC 10231 as a yeast, and the filamentous fungus Aspergillus niger NRRL-A326 in comparison with neomycin as a reference drug in the case of S. aureus, E. coli and C. albicans whereas cyclohexamide was used as a reference for filamentous fungi. The results showed that some of the novel compounds have promising antimicrobial activity.

In this study, a series of new condensation products L1-L5 have been synthesized from substituted pyridinecarbaldehydes and 2-aminobenzothiazole and characterized by FTIR, UV-Visible, 1H NMR spectroscopy and ESI-MS analysis. Additionally, compound L1 was structurally characterized through single-crystal X-ray diffraction study exhibiting four crystallographically independent molecules in the asymmetric unit. All the synthesized compounds exhibited antibacterial activity against Gram-negative and Gram-positive bacteria as well as against Candida albicans ATCC 60193 and Candida tropicalis ATCC 13803. All the compounds were optimized by using DFT-D method. Total energy values for compounds were calculated then, the reactivity descriptors were theoretically proven by computing the HOMO and LUMO energies. The prediction of ADME properties indicated that all of the compounds exhibit good drug-likeness and pharmacokinetic properties.

Modelling and data fitting for the prediction of permeate flux during ultrafiltration (UF) of a model feed solution of sodium lignosulfonate was carried out following resistance in series, gel polarization and Kedem Katchalsky equations. The experiments were conducted in a laboratory UF unit equipped with PES/HFUF asymmetric membrane under specific operating conditions by altering some parameters including solute concentration, transmembrane pressure (TMP), and cross flow velocity (CFV). The maximum experimental permeate flux was observed at TMP of 3.92 bar and CFV 0.527 ms-1 was 19.6 × 10-6 m3m-2s-1. The theoretical and experimental volumetric flux was plotted, and their extent of resemblance was compared and validated statistically. The study sheds light on the effective upcycling of sodium lignosulfonate from spent liquor via ultrafiltration.

The development and identification of dual target herbicides was one of primary approach to addressing the issue of weed resistance. Protoporphyrinogen oxidase (PPO) and p-hydroxyphenylpyruvate dioxygenase (HPPD) are two important targets of photosynthesis in plants. Different from the traditional single target drug design, this study focuses on HPPD and PPO dual target drug design. Hiphop pharmacophore models of HPPD and PPO targets were constructed use commercial pesticides, and CBP pharmacophore models were constructed based on protein complexes. Over millions of molecules were screened using pharmacophore models and 8 compounds were obtained. Candidate compounds chelated with Fe (II) in HPPD and formed stable π-π interactions with key residues in HPPD active pocket. Most compounds produced hydrogen bond interactions and π-π interactions with residues in PPO. Combined with a multiple visual screen process, potential compounds with dual-target inhibition effect were obtained.