Journal of the Iranian Chemical Society最新文献

This study aims to synthesize zeolite P via the hydrothermal method using expanded perlite from the Bousaada deposit (Algeria) as a natural aluminosilicate material. The expanded perlite was treated with an HCl solution at 75 °C for 3 h. After washing and drying for 24 h, the recovered solid was calcined at 800 °C for 1 h. It was then combined with a NaOH solution as the synthesis medium and placed in an autoclave for 4 days at 100 °C. The obtained zeolite P was doped with silver to improve its antimicrobial activity, and the samples were loaded with 100 mg of ibuprofen, then released in simulated gastric fluid at pH 1.2 for 2 h and in simulated intestinal fluid at pH 6.8 for 8 h. The synthesized zeolite can serve as a modified-release drug delivery system in gastrointestinal media. XRD, FTIR, SEM, and XRF analyses were used to characterize the synthesized product. DFT calculations were applied as a quantum chemistry method to examine the molecular properties of ibuprofen. Molecular docking simulations were performed to predict the interaction between ibuprofen and the active site of the 5f1a protein and to calculate their binding affinities.

The escalating demand for natural colorants in the food, pharmaceutical, and cosmetic industries, driven by consumer preference and regulatory shifts against synthetic dyes, has intensified the search for efficient and sustainable extraction methodologies. Quinonoid colorants, a prominent class of pigments including benzoquinones, naphthoquinones, and anthraquinones, are widely distributed in plants, but their conventional extraction often involves prolonged heating and large volumes of hazardous organic solvents, leading to degradation and environmental concerns. This review provides a comprehensive and critical overview of the growing field of ultrasound-assisted extraction (UAE) for the recovery of quinonoid colorants. We elucidate the fundamental mechanisms of acoustic cavitation and its role in enhancing cell wall disruption, improving solvent penetration, and accelerating mass transfer. The study reveals that systematically analyzes the critical process parameter such as influence of solvent type, ultrasound frequency, temperature, extraction time and operating conditions that govern the yield, purity and stability of the target colorants. By consolidating the current state-of-the-art and identifying future research directions, this overview underscores UAE as a powerful, sustainable, and economically feasible platform technology composed to transform the commercial production of high-value quinonoid colorants.

Design of experiments (DoE) techniques have been widely used for various experimental measurements to optimize analytical methods with lower cost, reduced number of experiments, and increased efficiency. The current study intends to critically review the application of DoE in the development and optimization of dispersive liquid–liquid microextraction (DLLME) techniques for the analysis of organic pollutants in environmental samples using ultra–high performance liquid chromatography quadrupole time–of–flight mass spectrometry (UHPLC–QTOF–MS). The open literature has shown that the application of DoE is limited when it comes to the screening and optimization of DLLME factors. Full factorial design (FD), Box–Behnken design (BBD), and central composite design (CCD) were the most used among the various types of designs. According to data from the cited literature, the coupling technique was only applicable in the analysis of a few organic pollutants, which were mostly determined in surface water using the conventional DLLME technique. Additionally, illustrative examples with performance parameters demonstrating the advantages of DLLME with UHPLC–QTOF–MS optimized via DOE compared to one–factor–at–a–time (OFAT) approaches are briefly discussed. This review article also provides an overview of matrix effects (MEs) and discusses how using DoE can affect MEs during LC–MS analysis. A review of the literature indicates that applying DoE significantly enhances experimental efficiency, improves method performance, and aligns with green chemistry principles.

Novel oxidovanadium (IV) complex [VO(AcSH₂A¹)₂] I (where AcSH₂A¹, acetylsalicylhydroxamic acid = C₆H₄(OCOCH₃)CONHOH) (HL) has been synthesized by the reaction of VOSO₄.5H₂O with (AcSH₂A¹) in absolute alcohol and characterized by physicochemical (elemental analysis, molar conductivity) and spectral techniques (FTIR, UV-Visible, Electron Spin Resonance (ESR)) and Mass spectrometry techniques. Density Functional Theory (DFT) calculations with the B3LYP/6-311 + + g(d, p) basis set confirmed a distorted square-pyramidal geometry around the V^IV centre. The small HOMO-LUMO energy gap (ΔE = 0.2142 eV) indicates high chemical reactivity and low stability for the complex. Complex I showed superior antimicrobial activity over HL, notably against S. typhi MIC = 7.84 µg/mL), and enhanced antifungal efficacy against R. solani (MIC = 3.90 µg/mL). Antibacterial efficacy confirmed by MIC assay was robustly corroborated using the Agar Well Diffusion (Zone of Inhibition (ZOI)) method and demonstrated the complex’s superior activity, yielding the largest ZOI of 20.00 mm against S. aureus. A marked enhancement of antioxidant activity (up to 41.4% DPPH (2,2-diphenyl-1-picrylhydrazyl) scavenging) was attributed to the facile V^IV to V^V oxidation. Electronic absorption studies confirmed a groove binding mode to ct-DNA, with complex I exhibiting marginally higher spontaneous affinity (K_b = 0.470 × 10³ M^− 1). Crucially, Molecular docking on the S. typhi glyceraldehyde 3-phosphate dehydrogenase (PDB ID: 8I7E) protein revealed a significantly high binding affinity for complex (-7.70 Kcal/mol), which is substantially stronger than HL (-5.21 Kcal/mol). further supported the assessment of their potential as therapeutic agents. These integrated results underscore the potent antimicrobial capacity of the complex, which is mechanistically supported by its confirmed DNA binding affinity and significant radical-scavenging activity. This establishes the compound for the strategic development of novel therapeutic agent.

Ag@ZnO nanorods (ZNRs) and CdS/Ag@ZNRs were successfully synthesized via a hydrothermal route and characterized using X − ray diffraction (XRD), field-emission scanning electron microscopy (FE − SEM), energy-dispersive X − ray (EDX) spectroscopy, ultraviolet − visible (UV − Vis) spectroscopy, and photoluminescence (PL) spectroscopy. XRD analysis confirmed the wurtzite hexagonal structure of ZnO with no secondary impurity phases, while a slight shift in diffraction peaks toward lower angles in Ag@ZnO samples indicated lattice distortion due to Ag incorporation. FE − SEM images revealed vertically aligned ZnO nanorods with an average diameter of approximately 60 ± 5 nm for the pristine sample. The diameter slightly increased to about 70 ± 5 nm and 100 ± 10 nm after Ag and CdS deposition, respectively, which can be attributed to the surface coating effect. EDX confirmed the elemental composition and uniform distribution of Ag and CdS. UV − Vis spectra showed enhanced visible-light absorption and a slight redshift of the absorption edge (2.32 eV) for CdS/Ag@ZnO NRs, may arise from to localized surface plasmon resonance (LSPR) effects of Ag nanoparticles and band alignment at the CdS/ZnO interface. PL analysis revealed that Ag doping led to a noticeable quenching of the near-band-edge emission intensity of ZnO, attributed to the introduction of nonradiative recombination centers. After CdS deposition, the PL intensity increased again, likely due to partial recovery of radiative recombination through CdS − ZnO interfacial charge transfer, although it remained slightly lower than that of pristine ZnO. Overall, the CdS/Ag@ZnO heterostructure exhibited tunable emission and interfacial interactions, making it promising for optoelectronic applications where controlled emission and charge separation are essential.

This paper demonstrates the development and validation of UV-spectrophotometric method for simultaneous estimation of xanthohumol (XH) and metformin (MF) using absorption factor method. The combination of XH and MF can be used to treat type 2 diabetes mellitus (T2DM). The combination (XH and MF) analytical method reported in the present paper was novel and is reported for the first time. The method developed for quantification of XH and MF using absorption factor method and is validated according to International Council for Harmonization (ICH) Q2(R1) guidelines. The linear regression was found to be linear in the concentration range of 2–10 µg/mL for both XH and MF with R² value 0.997 and 0.996 respectively. It is found to be robust and precise with %RSD value less than 2, indicating high reliability. Also found to be accurate with the percentage recovery of greater than 97.05%. The developed and validated method was successfully applied to NLCs formulation for estimating MF and XH in various studies such as preformulation studies (solubility), in-vitro drug release and determining percentage entrapment efficiency, demonstrating its sensitivity in detecting XH and MF. This makes it suitable for routine analysis and quality control in pharmaceutical applications.

The delafossite CuAlO₂ was prepared by sol–gel method and X-ray diffraction of the oxide fired at 1100 °C is characteristic of a single phase, crystallizing in a rhombohedral structure (R (bar{{mathbf{3}}}) m) with a crystallite size of 58 (± 2 nm). A grain size of 0.55 μm and a zeta potential (− 8 mV) were determined by zetammetry. A direct optical gap of 1.83 eV, obtained from the diffuse reflectance, is due to a lifting of the degeneracy of Cu⁺: d-d in a linear crystal field. An additional transition at 3.69 eV is due to charge transfer (O₂⁻: 2p → Cu⁺: 4s). CuAlO₂ exhibits p-type conduction behavior with a lattice polaron hopping between Cu^2+/+ states due to the intercalation of O²⁻ between the reticular planes (0 0 n). The electrical conductivity varies linearly with the reciprocal temperature, indicating semiconductor character which obeys to an exponential law: σ = σ_o exp(− 0.26 eV/kT) over the range (300–500 K). The photoelectrochemical study was undertaken in Na₂SO₄ electrolyte (0.1 mol dm⁻³); a flat band of 0.20 V_SCE and a hole concentration of 1.13 × 10¹⁸ cm⁻³ were determined from the capacitance-potential graph. Electrochemical Impedance Spectroscopy (EIS) shows a semicircle centered on the real axis, indicating pure capacitive behavior. The inclined line at low frequencies (35°) indicates ionic diffusion in the crystal lattice. As application, the decolorization of methylene blue (MB, 92%) within 70 min under optimal conditions by hydroxyl (HO^⋅) and superoxide (O₂^⋅−). “Photocatalysis/ultrasound (USW)” is superior to both photocatalytic oxidation (CuAlO₂/Sunlight) and CuAlO₂/USW. A high chemical oxygen demand (COD) is obtained at low frequency ultrasonic waves (60 kHz) corresponds to high mineralization with {USW/sunlight/CuAlO₂}. The kinetics of these simultaneous processes follows a pseudo-prime model with a rate constant of 1.96 × 10⁻² min⁻¹ (t_1/2 = 35 min). The sono-photo-catalytic activity, reusability and stability of CuAlO₂ were found to be excellent.

Due to importance of developing green techniques in synthesis chemistry, design and fabricating efficient heterogenous catalysts is indispensable. In this research, we prepared Nano-Fe₃O₄@Dextrin/OSO₃H as a magnetic and acidic nanocatalyst, and employed it for synthesis of new derivatives of 3-amino-2-phenylsulfonyl-1-aryl-1H-benzo[f]chromene and known derivatives of 2-amino-3-phenylsulfonyl-4-aryl-4H-benzo[h]chromene via three-component reaction method. The core of Nano-Fe₃O₄@Dextrin/OSO₃H was iron oxide nanoparticles, which was coated by dextrin, as a natural biopolymer and source of hydroxyl groups. The surface area of the nanocatalyst was modified with chlorosulfonic acid, to find brønsted acid properties. The initial reactants contained of aromatic aldehydes, (phenylsulfonyl)acetonitrile and β-naphthol or α-naphthol in ethanol solvent under reflux conditions. The structure of Nano-Fe₃O₄@Dextrin/OSO₃H was determined by FT-IR, FE-SEM, ICP, TGA, XRD, BET, and EDX analyzes to understand better its porous surface. In addition to high efficiency, compatibility with green chemistry principles and reusability of the nanocatalyst, high yields of synthesis of chromene derivatives were observed, between 88 and 96%.

Chitosan, a natural polysaccharide derived mainly from crustacean shells by deacetylation of chitin, has attracted much research interest as an eco-friendly, biodegradable, and biocompatible adsorbent for removing hazardous dyes and heavy metals from wastewater. Its structure, consisting of β– (1→4)-linked D-glucosamine units with amino and hydroxyl functional groups, enables strong adsorption through chelation and electrostatic interactions. Chitosan-based adsorbents, including hydrogels and chemically modified forms, efficiently remove various pollutants due to their high surface area and active sites, and they can be regenerated and reused, supporting sustainable wastewater treatment. Besides water treatment, chitosan’s properties also make it valuable in agriculture and biomedical fields. This review provides a comprehensive summary of existing research done on chitosan, which helps in consolidating knowledge on chitosan’s applications, properties, and advances in research pertaining to meaningful applications. It is an easily biodegradable natural biopolymer, and its residues are non-toxic, hence can easily be biodegraded and eliminated by nature itself. It highlights that chitosan has numerous applications in various fields, including agriculture, biomedicine, and environmental science. It gives a detailed picture of how chitosan has roles in textile industries, wastewater treatments, food packaging, drug delivery, personal care, cell encapsulation, and tissue engineering.

In this work, two prepared adsorbents Na-bentonite (Na-Bnt) and nano-ZnO-bentonite composite (ZnO-Bnt) were used to study the adsorption of Congo red (CR) dye from aqueous solutions. Several analytical methods, such as Fourier-transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), energy-dispersive X-ray spectroscopy (EDX), and scanning electron microscopy (SEM), were used to characterize the adsorbents. The effects of several operational parameters such as initial pH, adsorbent dosage, temperature, and initial dye concentration were optimized. The results showed that ZnO-Bent exhibited a higher adsorption efficiency (64.66%) compared to Na-Bent (40%) at an initial dye concentration of 5 mg/L. Optimal removal was achieved at natural pH (pH = 7), with an adsorbent dose of 0.008 g, a contact time of 40 min, and a temperature of 25 °C. Kinetic, isotherm, and thermodynamic studies were also performed. The adsorption process followed the pseudo-second-order (PSO) kinetic model, with rate constants (K₂) of 0.0082 and 0.0048 g mg⁻¹ min⁻¹ for Na-Bent and ZnO-Bent, respectively. The Langmuir model provided the best fit to the equilibrium data, with maximum adsorption capacities (qₘₐₓ) of 71.43 mg g⁻¹ and 23.8 mg g⁻¹ for ZnO-Bent and Na-Bent, respectively. Thermodynamic parameters indicated that the adsorption process was endothermic. In comparison to Na-Bent, the synthesized ZnO-Bent nanocomposite showed promising adsorption performance and a higher potential for removing Congo red dye, according to the results.

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