Volume 13, Issue 2
مرور بر اساس
ارسال های اخیر
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Quantum Computational, Molecular Docking, Dynamics, PASS, and ADMET Analyses of Methyl α-D-Glucopyranoside Derivatives
(Iranian Chemical Society, 2025-06-01)Novel antimicrobial and antifungal medicines are desperately needed, as evidenced by the increase in antibiotic resistance and other fungal diseases. Previously, we designed methyl α-D-glucopyranoside derivatives (2–8), ...
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Methylene Blue Dye Removal Using Activated Carbon Derived from Argan Kernels: Experimental and Computational Studies
(Iranian Chemical Society, 2025-06-01)Industrial effluent-induced water pollution persists as a critical global concern, posing significant environmental risks. In response, the scientific community has developed a wide range of methodologies, notably ...
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Optimization of Nickel Removal and Discovery of a New Method Leading to the Synthesis of Nickel Iron Carbonate Hydroxide Hydrate (Fe2Ni2(CO3)(OH)8,2H2O)
(Iranian Chemical Society, 2025-06-01)Given its impact on human health and the environment, wastewater containing harmful metals such as nickel must be treated before being discharged. In this context, the current study focuses on the optimization of operating ...
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Luminescence Properties of Some (Z-E)-4,4'-bis(2-benzoxazolyl)stilbene Derivatives: Theoretical Study
(Iranian Chemical Society, 2025-06-01)The influence of electron-withdrawing (nitro, cyano) and electron-donating (methyl, chloro) groups on these compounds was investigated. The charge transferred between atoms in natural bond orbitals was found to be higher ...
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Boehmite Modified with β-Cyclodextrin as an Eco-friendly Adsorbent for the Removal of Toxic Organic Compounds
(Iranian Chemical Society, 2025-06-01)Boehmite (BOH) nanoparticles modified by glycine/β-cyclodextrin (BOH/Gly/βCD) and ethylenediamine/β-cyclodextrin (BOH/NH2/βCD) were synthesized and used to remove crystal violet (CV), and malachite green (MG) dyes from ...
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In Silico and in Vitro Evaluation of (1H-indol-3-ylmethylene)-pyridin-3-yl-amine as a Potent Inhibitor for VEGFR2, EGFR and Progesterone Receptors
(Iranian Chemical Society, 2025-06-01)Carcinomas arising in epithelial tissue, make up 80-90% of all cancer cases among which non-small cell lung cancer (NSCLC) and breast cancer are most commonly diagnosed. In this study, we propose (1H-indol-3-ylmethylene) ...
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Taguchi Optimization for the Efficient Removal of Diazinon by GO-ZnO Nanoparticles
(Iranian Chemical Society, 2025-06-01)Water pollution and pesticide residues in food chain have become a serious environmental challenge. The removal of pesticides in aqueous environments is essential. The present study was conducted to investigate the effects ...
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Structural, Optical and Photoluminescence Properties of Ti3+ Activated Li2Ba3(P2O7)2 Nanophosphor for Cool White LED Applications
(Iranian Chemical Society, 2025-06-01)Structural, morphological, vibrational, optical and luminescence studies on Ti3+-doped Li2Ba3(P2O7)2 nanophosphor was systematized by wet-chemical method at room temperature. X-ray diffraction, reveals orthorhombic phase ...
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Ab initio Study of the Na+(CO)13 and Na+(N2)13 Complexes
(Iranian Chemical Society, 2025-06-01)The geometries and binding energies of the Na+.(CO)1-3 and Na+.(N2)1-3 have been determined at the level of the CCSD/6-311++G(d, p) method. Our results show that the mono- and di-ligated complexes have linear configurations ...
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The Main Chemical Constituents Responsible for the Antidiabetic Properties of the Datura Metel L Plant. Decryption and In-silico Investigations
(Iranian Chemical Society, 2025-06-01)Datura metel L. stands out as a significant medicinal plant in the Solanaceae family, celebrated for its extensive range of pharmacological properties. This research delved into exploring the antidiabetic potential of ...
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Novel Freely Soluble Minoxidil Salt: The Potential of Citric Acid and Tartaric Acid in Solubilization
(Iranian Chemical Society, 2025-06-01)Androgenic alopecia is a common hair loss that affects both males and females, causes a decrease in hair follicles and may result in terminal hair loss. Minoxidil (MNX) is a heterocyclic drug with multiple hydrogen-bonding ...
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Thermodynamic Insights into Vanillin Partition in 1-Decyl-3-Methyl Imidazolium Chloride and Potassium Phosphate Salts Aqueous Two-Phase Systems at (298.15 to 313.15) K
(Iranian Chemical Society, 2025-06-01)The present study investigated the thermodynamic aspects of vanillin partition in an aqueous two-phase system (ATPS) formed by 1-decyl-3-methyl imidazolium chloride ([Dmim]Cl) + dipotassium hydrogen phosphate (K2HPO4) or ...
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Computational DFT Study on Donor and Spacer Substitution in Arylamine-Based Push-Pull Molecules for Enhanced Photovoltaic Performance
(Iranian Chemical Society, 2025-06-01)In this research, we will shed light on four simple molecules of the “push-pull" types (DPMA-T-DCV, DPMA-Se-DCV, MeCz-T-DCV and MeCz-Se-DCV) by investigating the impact of substituting the electron-donor block diphenylmethylamine ...



