Journal of the Iranian Chemical Society最新文献

The synthesis and characterization of a series of Tb(III) complexes with 6-methyl-4-oxo-4H-1-benzopyran-3-carboxaldehyde (L) and ancillary ligands bathophenanthroline, 1,10-phenanthroline, and 2,2’-bipyridine are presented. Extensive spectral analyses, including FTIR, UV–visible, and photoluminescence studies, confirmed the coordination between the Tb(III) ions and the ligands. All complexes exhibited intense green luminescence, characterized by sharp emission at 546 nm (⁵D₄ → ⁷F₅). Among the complexes, the [Tb(L)₃.Bipy] complex showed the highest quantum yield (61.71%) and the longest luminescence decay lifetime (0.634 ms), highlighting the importance of optimized ancillary ligands in suppressing non-radiative decay pathways. The complexes also displayed semiconducting optical band gaps (2.57–2.71 eV) and high refractive indices (2.11–2.14), further supporting their potential for optoelectronic applications. Thermal analysis indicated enhanced stability, while chromaticity measurements demonstrated excellent color purity, establishing these complexes as promising candidates for advanced photonic devices and green light-emitting technologies.

The current approach uses benzyl halides instead of benzaldehydes as key reagents because trimethylamine N-oxide is a safe and efficient oxidizing reagent to synthesize imidazo[1,2-a] pyrimidine analogues from different benzyl halides in one pot. Trimethylamine N-oxide generated in situ by the reaction of trimethylamine and hydrogen peroxide, catalyzes the three-component reaction with benzyl halide, 2-aminobenzimidazole/2-aminobenzthiazole, and phenyl acetylene to yield imidazo[1,2-a]pyrimidine analogues.

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Water conservation and wastewater treatment have emerged as a worldwide challenge. Excessive concentrations of organic dyes in water can damage both humans and aquatic life. One of the most used azo dye, Congo red (CR), needs specific attention because of its high persistence in aquatic environments and potential for damage. This work aims to eradicate Congo red dye from wastewater utilizing a soluble polymer anion exchange membrane, i.e., ethylene glycol-functionalized benzyl dimethyl tetradecyl ammonium bromide (EG-BDTAB). The membrane’s structural, functional, and thermal properties were estimated using SEM, FTIR, and TGA. The thermal data were analyzed using the Coats Redfern technique to calculate the kinetic triplet: activation energy (E_a), g(α) function, and frequency factor (A). The experimental parameters (including the effect of solution pH, contact time, and initial concentration, on the elimination of CR dye by the utilization of an (EG-BDTAB) membrane in batch adsorption mode) were optimized through the response surface methodology that further helped to assess the inter-parameter interdependence and the maximal uptake capacity (q_e). Several kinetic models, including the pseudo-first-order, pseudo-second-order, liquid film diffusion, Bangham, Elovich, and Freundlich models, were employed on the experimental data. The adsorption of CR on the EG-BDTAB membrane closely matched the pseudo-second-order model (R² > 0.992). The adsorption of CR onto the (EG-BDTAB) was studied by using both linear and nonlinear isotherms models. The membrane was tested for its recyclability, and it showed a negligible loss in efficiency for three consecutive cycles.

Inorganic and organic contaminants in water body cause enough harm to the living systems with varying degree. Proper addressing the issue with sustainable solutions is on the prime focus. Various groups in last decade have contributed significantly with diversified class of materials using multi-faceted techniques. This review examines and compares the significant research works that have enhanced the field of wastewater treatment. Recent additions of smart phytomagnetic bio-composites are also introduced. Relative adsorption efficiencies in working condition have been mentioned. Agricultural and synthetic adsorbents have been critically assessed to rank their suitability in small and large scale usage. The pros and cons of various techniques have been outlined. Future perspective is also mentioned.

In this study, a solvent-assisted dispersive solid-phase extraction (SA-DSPE) method followed by a gas chromatography equipped with a flame ionization detector (GC-FID) was applied for the extraction and determination of some polycyclic aromatic hydrocarbons (PAHs) in various real samples. N,N′-bis(salicylidene)ethylenediamine (salen), as a sorbent, was simply synthesized and characterized. Under the optimal conditions (solution pH: 6.0, amount of sorbent: 0.5%, disperser solvent type: acetonitrile, disperser solvent volume: 500 µL, and centrifugation condition: 3743 g for 3 min), preconcentration factors and extraction recoveries for PAHs were obtained ranging from 140 to 183 and 70 to 92%, respectively. Linear dynamic ranges were from 2.0 to 200.0 ng mL⁻¹ with the regression coefficients (R²) exceeding 0.99, limits of detection from 0.6 to 0.9 ng mL⁻¹, and the repeatability values (RSD%) ≤ 8.4% (n = 5). The proposed method can be effectively applied for extracting and determining PAHs in both food and environmental samples.

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This study focuses on the design and synthesis of a magnetic heterogeneous catalyst using fluorescent carbon quantum dots (CQDs) as a sustainable support material. This approach addresses the challenges associated with the difficult catalyst separation and functionalization of iron oxide nanoparticles. The core–shell support, named Fe₃O₄@CQD@Si(CH₂)₃NH@CC@Ad, was developed to load a maximum amount of acid groups (–SO₃H) onto the support. The core is composed of magnetic Fe₃O₄, while the outer shell is composed of functionalized CQDs. The synthesized catalyst was characterized to confirm its structure and properties. The efficiency of this nanocatalyst was then evaluated in the synthesis of 2-amino-3-cyano pyridines and 4,4′-(aryl methylene) bis(3-methyl-1H-pyrazol-5-ol)s derivatives using a multi-component reaction (MCR). Reactions conducted with the magnetic nanocatalyst under optimized conditions resulted in reasonable yields within a short duration. The authors suggest that the high immobilization of the –SO₃H groups on the Fe₃O₄@CQD@Si(CH₂)₃NH@CC@Ad support was favored by the aggregation of the –NH groups. This aggregation promoted the catalytic efficiency and activity of the catalyst by increasing the availability of acidic active sites. The overall results indicate that the designed catalyst maintains a relatively high level of efficiency even after several cycles of use. This robustness and the sustained catalytic activity highlight the catalyst’s potential for practical applications in various industrial processes.

Graphic Abstract

Pyridine, 1,3,4-oxadiazole and 1,2,3-triazole are known for their wide range of biological properties such as anticancer, antifungal, antimicrobial and anti-tubercular activities. It is evident that Click reactions have evolved as one of the most powerful tools to deduce such types of heterocyclic moieties. In this study, a library of pyridine-linked 1,2,3-triazol-4-yl-1,3,4-oxadiazole derivatives was synthesized through a multi-step process. This involved the propargylation of 5-(2-arylaminopyridin-3-yl)-1,3,4-oxadiazole-2(3H)-thiones, followed by a Click reaction, to produce 2-(3-arylaminopyridin-3-yl)-5-[{(1-(aryl)-1H-1,2,3-triazol-4-yl)methyl}thio]-1,3,4-oxadiazoles. The synthesized compounds were characterized by elemental analysis, FT–IR, LC–MS, ¹H NMR, and ¹³C NMR techniques. The electron donor properties of the derivatives were validated using a quantum chemical approach. The in vitro anticancer activity of the synthesized derivatives was evaluated against A549 (lung), HepG2 (liver), and PC-3 (prostate) cancer cell lines using the MTT assay, where compounds 4b, 4c, 4f, and 4k demonstrated significant cytotoxicity. Clonogenic and wound healing assays revealed that compounds 4c and 4f effectively inhibited colony formation and cell migration in a time-dependent manner. In addition, compounds 4e and 4c exhibited notable antidiabetic potential by inhibiting α-amylase and α-glucosidase enzymes with IC₅₀ values of 46.53 ± 0.56, 49.31 ± 0.83 µg/mL and 32.54 ± 0.89, 33.13 ± 1.02 µg/mL, respectively, surpassing the activity of the standard drug acarbose. Molecular docking studies were conducted against the EGFR kinase domain (PDB ID: 1XKK), revealing favorable binding interactions for the active compounds, thereby supporting their potential mechanism of action at the molecular level. Collectively, these findings highlight the therapeutic promise of pyridine-linked oxadiazole-triazole hybrids as multifunctional agents with anticancer and antidiabetic activities.

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The present study shows the successful synthesis and characterization of the magnesium nitrate–urea coordination compound, Mg(NO₃)₂·4CO(NH₂)₂·2H₂O, using a mechanochemical method, achieving an 84.0% product yield. Elemental analysis confirmed the compound’s composition, with magnesium (5.02% found vs. 5.08% calculated), nitrogen (29.44% vs. 29.66%), carbon (10.11% vs. 10.17%), and hydrogen (4.08% vs. 4.23%). X-ray diffraction patterns revealed a distinct crystalline structure, corroborated by significant shifts in the IR spectra, indicating successful coordination of urea with magnesium nitrate. Thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC) analysis identified three endothermic and two exothermic effects, with a total mass loss of 76.5%, leading to the formation of magnesium oxide. The crystalline structure of the compound, analyzed via X-ray diffraction, exhibited a unique hexagonal coordination involving acetamide and water molecules. The compound demonstrated significant potential as a plant growth enhancer, increasing wheat root length by 169.2% and stem height by 117.8% at a 0.00001% concentration. Molecular docking studies indicated strong binding affinities with cancer-related proteins 1JNX and 1X2J, with docking scores of −4.40 kcal/mol and −7.30 kcal/mol, respectively. ADME analysis revealed high water solubility and moderate lipophilicity (consensus Log Po/w of −2.47), along with high gastrointestinal absorption, making it a promising candidate for oral drug administration. Hirshfeld surface analysis highlighted significant hydrogen bonding interactions, constituting 45.9% and 7.6% of the crystal packing for O–H/H–O and N–H/H–N interactions, respectively. Energy framework analysis demonstrated robust intermolecular interactions, with the strongest interaction energy recorded at − 51.41 kJ × mol^− 1. Small-plot experiments on cotton further validated the compound’s effectiveness, showing an increased yield of raw cotton from 22.4 g per plant in control to 32.5 g per plant. Detailed analysis of coordination bond lengths and crystal parameters confirmed the compound’s unique structural characteristics, with unit cell parameters for triclinic crystals determined as a = 10.683(1) Å, b = 10.9615(9) Å, c = 13.5156(11) Å, α = 97.726(7)°, β = 105.798(8)°, γ = 98.315(7)°, and a calculated density of 1.342 g/cm³. These findings underscore the promising applications of Mg(NO₃)₂·4CO(NH₂)₂·2H₂O in both agricultural productivity and potential drug development.

Photocatalytic water splitting offers a viable and sustainable method for hydrogen production. MXenes, a class of 2D transition-metal carbides/nitrides, have emerged as potential photocatalysts and cocatalysts due to their tunable electronic properties, high conductivity, and surface functionality. This review explores recent advances in MXene-based photocatalysts for hydrogen production, discussing their synthesis, electronic structures, and photocatalytic mechanisms. The key challenges, including stability issues, charge recombination, and bandgap optimisation, are critically analysed. Finally, future research directions are outlined to improve MXene-based systems for large-scale hydrogen production.

Donepezil HCl (DH) is commonly used for the treatment of different neurological disorders such as dementia, Alzheimer’s, and Parkinson’s diseases. So far, there is no stability-indicating spectrofluorimetric assay method for the estimation of DH that has been reported. Therefore, this study aims to develop and validate a green and eco-friendly stability-indicating spectrofluorimetric assay method for the estimation of DH in pure, dosage form, and degraded solutions. The green and eco-friendly spectrofluorimetric method was developed and validated by the International Council on Harmonization guidelines, and the parameters mentioned in the guidelines were studied. The maximum pH for the fluorescence intensity of DH has been studied in the pH range 1.0–14.0, and found that from pH 1.0 to 8.0, there is no considerable difference in the fluorescence intensity of DH. Therefore, pH 7.0 was selected for the assay of DH, and the pK_a value was determined as 8.20. The calibration curve for DH is linear in the 0.50–3.50 × 10^–5 M concentration range. The accuracy and precision of the method are in the range of 100.07–100.70% and 0.57–0.65% (%RSD), respectively. The limit of detection (LOD) and quantification (LOQ) are found to be 0.89 and 2.71 × 10^–6 M, respectively. Stress degradation studies were also carried out on DH and found that the degradation products formed were not altering the accurate and precise determination through the proposed method.