Murat Beytur

1,2,4-Triazole derivatives are widely investigated as bioactive heterocyclic compounds with diverse biological properties; however, their potential effects on avian embryonic development remain insufficiently characterized. This study aimed to synthesize selected Mannich-type 1,2,4-triazol-5-one derivatives and evaluate their in vitro biological activities, predicted enzyme interactions, and in ovo hatchability outcomes in broiler embryos. Three derivatives (3a–3c) were synthesized and structurally characterized using Fourier-transform infrared (FT-IR), proton nuclear magnetic resonance (¹H-NMR), and carbon-13 nuclear magnetic resonance (¹³C-NMR) spectroscopy. Their reducing capacity, 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical-scavenging activity, metal-chelating capacity, and antimicrobial activity were evaluated. Molecular docking analyses were performed against carbonic anhydrase II and catalase, using acetazolamide and 3-amino-1,2,4-triazole as reference inhibitors, respectively. For the in ovo assessment, fertilized Ross 308 eggs were allocated to non-injected control, vehicle control, and compound-treated groups. Compounds 3a, 3b, and 3c were administered on incubation day 17 at 20, 10, and 5 mg/egg, respectively, as literature-supported, compound-specific exploratory exposure levels. The compounds exhibited weak reducing capacity, negligible DPPH radical-scavenging activity, pronounced metal-chelating capacity, and selective antimicrobial activity against several bacterial strains, whereas no inhibition was observed against Escherichia coli. Docking analysis predicted favorable interactions with both enzyme targets, with compound 3c showing the most favorable binding energies. Baseline egg weights were comparable among groups, indicating that initial egg weight was unlikely to influence hatchability outcomes. Complete hatch failure occurred in all compound-treated groups, whereas hatchability was observed in the control groups. These findings suggest that the tested derivatives may adversely affect embryonic development under the applied in ovo conditions. Their pronounced metal-chelating capacity, together with the predicted interactions with carbonic anhydrase II and catalase, provides a plausible mechanistic framework for interpreting the observed embryonic outcomes. The molecular docking results complement the experimental findings and provide supportive in silico evidence for these potential interactions. These findings contribute to the limited literature on the in ovo evaluation of synthetic Mannich-type 1,2,4-triazol-5-one derivatives and provide preliminary evidence regarding their embryotoxic potential. Further dose-dependent, mechanistic, histopathological, and enzyme-based studies are required to clarify the biological basis of the observed effects and to guide future evaluation of these compounds in in ovo, biomedical, and veterinary applications.

Çalışmanın sentez bölümünde, ilk olarak 3 adet 3-aril-4-amino-4,5-dihidro-1H-1,2,4-triazol-5-on bileşiğinin bir benzaldehid türevi olan 3-etoksi-4-hidroksibenzaldehidin trietilamin varlığında benzensulfonil klorür ile muamelesinden sentezlenen 3-etoksi-4-(benzensulfoniloksi)-benzaldehid ile ayrı ayrı muamelesinden karşın olan 3 adet 3-aril-4-(benzensulfoniloksi)-benzilidenamino-4,5-dihiro-1H-1,2,4-triazol-5-on bileşiği elde edilmiştir. 3 Adet 1,2,4-triazol türevli Schiff bazı bileşikleri olan 3-aril-4-[3-etoksi-4-(benzensulfoniloksi)-benzilidenamino]-4,5-dihidro-1H-1,2,4-triazol-5-on’ların Klebsiella pneumoniae, Pseudomonas aeruginosa, Echerichia coli, Staphylococcus aureus, Entercoccus faecalis bakterileri üzerindeki antimikrobiyal etkileri disk difüzyon yöntemi ile araştırılmıştır. Yapılan araştırma sonucunda 3-p-klorobenzil-4-[3-etoksi-4-(benzensulfoniloksi)-benzilidenamino]-4,5-dihidro-1H-1,2,4-triazol-5-on’un E. coli ve K. pneumoniae üzerinde antimikrobiyal etki gösterdiği, 3-m-klorobenzil-4-[3-etoksi-4-(benzensulfoniloksi) benzilidenamino]-4,5-dihidro-1H-1,2,4-triazol-5-on’un da yalnızca K. pneumoniae üzerinde etkili olduğu belirlenmiştir.

This study evaluated the effects of extracts prepared using two different methods (decoction extraction and, soxhlet ethyl acetate/hexane extraction) from Inula viscosa on H2O2-induced oxidative stress and wound healing model in mouse L929 fibroblast cells. The cytotoxic effect started to disappear statistically (p

In the present theoretical study, the 2-[1-acetyl-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one-4-yl]-phenoxyacetic acide was optimized by B3PW91 and HF methods 6-311+G (d.p) basis set using the Gaussian G09W program. The molecular structure, HOMO and LUMO energy analysis, electronic transitions, total static dipole moment, the mean polarizability, the anisotropy of the polarizability, the mean first-order hyperpolarizability, electronegativity, chemical hardness, molecular electrostatic potential maps (MEP) and Mulliken charges of 2-[1-acetyl-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one-4-yl]-phenoxyacetic acide molecule have been investigated by using B3PW91 and HF methods with the 6-311+G (d, p) basis set. The calculated IR data of titled compound were calculated in gas phase by using of 6311+G (d, p) basis sets of B3PW91 and HF methods and are multiplied with appropriate adjustment factors. Theoretical infrared spectrums are formed from the data obtained according to B3PW91 method. In the identification of calculated IR data was used the veda4f program. 1H-NMR and 13C-NMR spectral data values were calculated according to the method of GIAO using the program package Gaussian G09W Software. Experimental data were obtained from the literature. Experimental and theoretical values were inserted into the graphic according to equitation of δ exp=a+b. δ calc. The standard error values were found via SigmaPlot program with regression coefficient of a and b constants. In addition, in vitro antioxidant properties of this compound was investigated.

It is known that acetyl derivatives, Schiff bases, and Mannich bases obtained from 1,2,4-triazol-5-ones have significant antibacterial and antioxidant activities. Herein, 27 new 1,2,4-triazole derivatives were synthesized, and their antioxidant and antibacterial properties were investigated. The metal chelating activity of the synthesized compounds and especially the effect against gram-positive bacteria were found to be significant. The effect against gram-negative strains was also important. Structure determination of the synthesized com­pounds was performed on the basis of their ¹H and ¹³C NMR, IR, and high-resolution mass spectra.

The potential organic electroluminescent properties of 4,5-dihydro-1H-1,2,4-triazol-5-one derivatives that have recently attracted much of the scientists' interest is discussed. The electronic features of these heterocyclic organic compounds are examined with computational methods. The calculation operations were conducted with the high-performance server systems running on Windows operating systems. The geometries of the studied molecules were plotted using the GaussView 5.0 computer program. Theoretical calculations were conducted using the Gaussian09W program. Then, the HOMO-LUMO shapes of the molecules that were optimized with theoretical calculations were obtained. The HOMO-LUMO energy difference (ΔE) of each molecule was calculated in terms of eV. The results were compared with the values obtained from relevant literature. According to the theoretical and simulation results obtained from the B3LYP 6-311G++(d,p) and CAMB3LYP 6-311G++(d,p) basic set calculations of the DFT (Density Functional Theory) method used in this study; when the HOMO-LUMO energy differences were examined, it was determined that from among the studied candidate molecules, there were potential molecules that have/could have optoelectronic features. Therefore, it is expected that the study will shed light on synthetic organic chemistry procedures in terms obtaining optoelectronic materials. Organic electronic devices are quite remarkable due to their optoelectronic features. These devices can be examined under three main headings. These are organic light emitting diode (OLED), organic thin-film transistors (OTFT) and organic solar cells. These devices are usually structured in the form of anode-organic material-cathode layers placed on top of each other.

A series of 2-ethoxy-4-{[3-alkyl(aryl)-4,5-dihydro-1H-1,2,4-triazol-5-on-4-yl]-azomethine}-phenyl benzenesulfonates (3) were synthesized from the reactions of 3-alkyl(aryl)-4-amino-4,5-dihydro-1H-1,2,4-triazol-5-ones (1) with 2-ethoxy-4-formyl-phenyl benzenesulfonate (2). N-acetyl derivatives (4) of compounds 3 were also obtained. Then, the compounds 3 have been treated with morpholine and 2,6-dimethylmorpholine in the presence of formaldehyde to synthesize 2-ethoxy-4-{[1-(morpholine-4-yl-methyl)-3-alkyl(aryl)-4,5-dihydro-1H-1,2,4-triazol-5-on-4-yl]-azomethine}-phenyl benzenesulfonates (5) and 2-ethoxy-4-{[1-(2,6-dimethylmorpholine-4-yl-methyl)-3-alkyl(aryl)-4,5-dihydro-1H-1,2,4-triazol-5-on-4-yl]-azomethine}-phenyl benzenesulfonates (6), respectively. The structures of twenty-six new compounds were identified by using elemental analysis, IR, ¹H NMR, ¹³C NMR, and MS spectral data. In addition, in vitro antibacterial activities of the new compounds were evaluated against six bacteria such as Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus, Bacillus subtilis, Bacillus cereus and Klepsiella pneumonia according to agar well diffusion method. Furthermore, in order to determine the possible antidiabetic properties of the synthesized 1,2,4-triazole derivatives, inhibition effects on the AR enzyme were investigated and molecular docking studies were carried out to determine the receptor-ligand interactions of these compounds. IC₅₀ values of triazole-derived compounds (6a, 6b, 6d-g) against AR enzyme were determined as 0.95 µM, 0.75 µM, 1.83 µM, 0.62 µM, 1.05 µM, 1.06 µM, respectively. Considering the docking scores and binding energies obtained docking studies, it has been shown that molecules fit very well to the active site of the AR enzyme.

Fuel cells have important applications in recent decades due to high-energy demands, fossil fuel depletions and environmental pollution throughout world. A fuel cell is an electrochemical cell that converts a source fuel into an electrical current. It generates electricity inside a cell through reactions between a fuel and an oxidant, triggered in the presence of an electrolyte. In this study, preparation of Platinum nanoparticle (PtNPs)/boron nitride quantum dots (BNQDs)/6-methyl-2-(3-hydroxy-4-methoxybenzylidenamino)-benzothiazole (ILs) nanocomposite (PtNPs/BNQDs/ILs) has been made. Afterwards, using various equipment and methods, characterization has been carried out. These equipment and methods are as follows: Transmission Electron Microscope, Scanning Electron Microscope, X-Ray Photo Electron Spectroscopy, Energy-Dispersive X-Ray Spectroscopy and X-Ray Diffraction Method. The catalyst developed on PtNPs/BNQDs/ILs has proven to be cost-effective. Moreover, the PtNPs/BNQDs/ILs nanocomposite has achieved a higher peak for the current oxidation of methanol, when compared to BNQDs/ILs and ILs. Therefore, this catalyst has a better catalytic activity.