• Quantum Computational, Molecular Docking, Dynamics, PASS, and ADMET Analyses of Methyl α-D-Glucopyranoside Derivatives 

  Labib, M. F.؛ Saha, S.؛ Kawsar, Dr S M Abe (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 

  Salim, Ahmed؛ Nour, Hassan؛ Chraka, Anas؛ Chtita, Samir؛ A, El bouari؛ Mohammed, Tahiri؛ Tanane, Omar (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) 

  Nour, Hassan؛ Salim, Ahmed؛ Chtita, Samir (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 

  Soleimani Borujerdi, Mohammad؛ Oftadeh, Mohsen؛ Soodbar, Davood؛ Sohrabi, Nasrin (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 

  Shabanian, Fatemeh؛ Sohrabnezhad, Shabnam (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 

  Siddiqui, Zohra؛ Maurya, Anushree؛ Pal, Mamta؛ Shukla, Raj؛ Pathak, Shilendra؛ Srivastava, Ruchi؛ Shukla, Vikas؛ Prasad, Onkar؛ Sinha, Leena (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 

  Afshar Torbati, Mahdi؛ Ghazi Tabatabaei, Zohreh (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 

  Vasu, Gade؛ Anjaneyulu, N؛ Aswini, Ch؛ Ravikumar, RVSSN (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)13 and Na+(N2)13 Complexes 

  Dawoud, Jamal (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 

  Badaoui, Hassan؛ Ouabane, Mohamed؛ Alaqarbeh, Marwa؛ Elbouhi, Mhamed؛ Choukrad, M’barek؛ Lakhlifi, Tahar؛ Bouachrine, Mohammad (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 

  Barghi Janni, Paraa؛ Rahimpour, Elaheh؛ Jouyban, Abolghasem؛ Fathi Azarbayjani, Anahita؛ Kouhkan, Mehri (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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• Computational DFT Study on Donor and Spacer Substitution in Arylamine-Based Push-Pull Molecules for Enhanced Photovoltaic Performance 

  Mouad, Boutkbout Nait Moudou؛ Hayat, EL Ouafy؛ Loubna, Halil؛ Mouna, Aamor؛ Soukaina, Naciri؛ Mohamed, Reda Chriyaa؛ Walid, Iken؛ Tarik, EL Ouafy (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 ...

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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 

  Arzideh, Seyyed Mohammad؛ Movagharnejad, Kamyar؛ Pirdashti, Mohsen (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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• DC High Resistance Measurement as a Simple Technique for In Situ Corrosion-monitoring of Epoxy/Glass Flake Coated Carbon Steel 

  Zhiani, Mohammad؛ Yani, Pegah؛ Mohammadi Taghiabadi, Mohammad (Iranian Chemical Society, 2025-03-01)

  This study aims to conduct in-situ corrosion monitoring of epoxy/glass-flake coated carbon steel under actual operating conditions using DC resistance measurements. The corrosion resistance of glass-flake/epoxy (GFE) coated ...

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• Exploring of Novel Thymol-based Amino-thiazole Hybrids: Computational Evaluation of Anticancer Activity 

  Bouribab, Amal؛ Rossafi, Bouchra؛ Errougui, Abdelkbir؛ Touti, Rodouan؛ Chtita, Samir (Iranian Chemical Society, 2025-03-01)

  This study is designed to assess the anticancer potential of innovative amino-thiazole-based thymol derivatives using advanced computational methods. To achieve this, we utilized density functional theory (DFT) with the ...

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• Carbon Nanotubes Effectiveness Incorporated in the Poly(Methyl Methacrylate) Matrix to Make a Nano Coating As a Selective Surfaces that Enhance Solar Energy Absorption 

  Kareem, Ali؛ Abed, Rasheed (Iranian Chemical Society, 2025-03-01)

  New spectrally selective surface films of the nano coatings to achieve high absorption performance. The poly(methyl methacrylate) (PMMA) dissolved in chloroform with various concentrations of carbon nanotube (CNT) (1, 2, ...

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• Revealing Intermolecular Interactions and Electronic Properties in the Hydrogen-Bonded Complexes of Alcohols-Acetaldehyde at 308 K by Ultrasonic and DFT Studies 

  C P, Devipriya؛ V, SabAari؛ J, Udayaseelan؛ M, Aravinthraj؛ M, Punithavathi (Iranian Chemical Society, 2025-03-01)

  In this study, we investigated the densities, viscosities, and ultrasonic velocities of binary mixtures of methanol, ethanol, and phenol with acetaldehyde at 308K. We found a positive correlation between concentration and ...

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• Multiphased Carbonaceous Periwinkle Shell and Styrofoam Nanocomposites For Toxic Contaminants Treatment 

  Nkwoada, Amarachi؛ Iwu, Irenus؛ Kalu, Samuel؛ Nweze, Chike؛ Anukam, Basil (Iranian Chemical Society, 2025-03-01)

  This study reported a multiphased nanocomposite based on the carbonaceous periwinkle shell (CPS) and styrofoam (C8H8) decorated with titanium dioxide (TiO2). A sol-gel protocol at mild conditions was adopted to synthesize ...

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• Antidepressant-like Activities of Boldine Analogues Combined with in Silico Computational Studies 

  Xiaopeng, Wei؛ Qianqian, Chang؛ Fenghe, Bi؛ Hao, Xu؛ Yuheng, Sun؛ Wei, Qiao (Iranian Chemical Society, 2025-03-01)

  ABSTRACT: In order to investigate the potential antidepressant activity of Boldine (BO), five derivatives were synthesized whose structures were confirmed by 1H-NMR and 13C-NMR. MTT assay was employed to evaluate the ...

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• Experimental and Theoretical Study of Cis-1,4-polyisoprene Pyrolysis 

  Raeisian, Maysam؛ Izadi, Mohammad Ebrahim؛ Ajloo, Davood (Iranian Chemical Society, 2025-03-01)

  Pyrolysis of natural rubber (NR) is environmentally friendly solution as a clean recycling process. The pyrolysis of cis-1,4-polyisoprene is studied with a focus on the quantity and quality of final products from experimental ...

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