Volume 11, Issue 4
مرور بر اساس
ارسال های اخیر
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Novel Styrylquinoline Derivatives as Potential Anticancer Agents, In-Silico studies by 3D-QSAR, Molecular Docking, and Molecular Dynamics Simulations
(Iranian Chemical Society, 2023-12-01)Cyclin-dependent kinase 2 (CDK2) has appeared as a promising healing goal for anticancer treatments. Thus, this work seeks to predict new nominee drugs against cancer. In the present paper, a three-dimensional quantitative ...
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Methods of Recycling Expanded Polystyrene Waste: Synthesis and Characterization
(Iranian Chemical Society, 2023-12-01)This work reports the recycling of waste polystyrene that was expanded by homgeneous sulfonation reactions using different methods. The obtained sulfonates polystyrenes (PSS) were identified using various techniques such ...
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Elaboration and Characterization of Organo-Ghassoul (Moroccan Clay) as an Adsorbent Using Cationic Surfactant for Anionic Dye Adsorption
(Iranian Chemical Society, 2023-12-01)This study used the cation exchange approach to carry out significant chemical modifications in Moroccan Rhassoul clay by inserting a cationic surfactant (N-Methyl-N,N,N-trioctylammonium chloride) through the void between ...
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A Numerical Investigation of the Thermal Transport Properties of Argon + Hydrogen Plasma Working Gases in the Presence of Various TiO2 Precursor Solutions
(Iranian Chemical Society, 2023-12-01)We reported a numerical investigation of the thermal transport properties of argon (Ar) + hydrogen (H2) plasma working gases such as the dynamic viscosity and thermal conductivity under the presence of various titania ...
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Thermophysical Study of Ethylene Glycol + H2O and Ethylene Glycol + (DMF/H2O) at 298.15 K
(Iranian Chemical Society, 2023-12-01)In this research, some thermophysical properties of ethylene glycol with water (H2O) and two solvent mixtures dimethylformamide/ water (DMF + H2O) were studied. The densities (ρ) and viscosities (η) of ethylene glycol in ...
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Adsorption of Some Gas Molecules on the Surface of Graphene Nanoflakes
(Iranian Chemical Society, 2023-12-01)The adsorptions of some mono and polyatomic gases on graphene nanoflake surfaces are investigated. Graphene nanoflake surface has been modeled and a suitable model for the graphene surface is found among a set of 2, 4, 7, ...
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Removal of Formaldehyde from Aqueous Solution Using Low-cost and Reusable Adsorbents
(Iranian Chemical Society, 2023-12-01)In this paper, activated carbon (AC) was utilized to eliminate formaldehyde from synthetic sewage. To this end, three kinds of activated carbon were utilized including commercial AC (CAC), AC derived from walnut shell ...
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Interaction of Electronically Excited CO(a^3 Π_r) Molecules with H, H2, and H2O: Potential Energy Surfaces and Reaction Kinetics
(Iranian Chemical Society, 2023-12-01)The kinetics of elementary reactions of H, H2, and H2O species with electronically excited CO(triplet Π state) is theoretically studied using the multireference second-order perturbation theory. The corresponding ...
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Curcumin and Curcumin Derivatives as Green Corrosion Inhabitor-A Review
(Iranian Chemical Society, 2023-12-01)Corrosion is a phenomenon wherein metal gets degraded when it gets exposed to the environment. This deterioration of the metal leads to many impacts such as structure damage and material failure, leakage, environmental ...
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COMPUTATIONAL INVESTIGATION OF GENIPOSIDIC ACID AS AN ANTICANCER AGENT USING MOLECULAR DOCKING, MOLECULAR DYNAMIC SIMULATION, DFT CALCULATION, AND OSIRIS-MOLINSPIRATION PROFILING
(Iranian Chemical Society, 2023-12-01)Geniposidic acid is an iridoid glycoside. Iridoid glycosides showed antitumor, anti-inflammatory, cardiovascular, anti-hepatotoxic, choleretic, hypoglycaemic, hypolipidemic, antispasmodic, antiviral, immunomodulatory, and ...
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Structural Insight into 2-Aryl-4-Quinoline Carboxylic Acid-Based Dihydroorotate Dehydrogenase (DHODH) and its Potential Anti-SARS-CoV-2 Activity Through Pharmacophore Modeling, Multidimensional QSAR, ADME, and Docking Studies
(Iranian Chemical Society, 2023-12-01)Dihydroorotate dehydrogenase (DHODH) is a rate-limiting enzyme in the biosynthesis of pyrimidone that catalyzes the oxidation of dihydro-orotate to orotate. Uridine-monophosphate is biosynthesized using orotate. DHODH ...
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Synthesis of TiO2 Nanoparticles by Hydrothermal Method and Characterization of their Antibacterial Activity: Investigation of the Impact of Magnetism on the Photocatalytic Properties of the Nanoparticles
(Iranian Chemical Society, 2023-12-01)TiO2-NPs were proven to be effective antibacterial agents.In this work,hydrothermal processing was used to synthesize TiO2-NPs and their photocatalytic, antibacterial activities were investigated.In addition, this research ...
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Deactivation of Iron Fischer-Tropsch Catalyst in the Presence of Different Promoters: Model Determination and Parameter Estimation Using a Hybrid ANN/GPLE Technique
(Iranian Chemical Society, 2023-12-01)In this paper, the deactivation of the iron-based catalyst was assessed in the presence of Zr, Mn, and Cr promoters at two different loadings (5 and 10%). ANN/GPLE hybrid technique was applied for model determination and ...
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Volumetric Properties of Nanofluids by a Perturbed Hard-sphere Chain Equation of State
(Iranian Chemical Society, 2023-12-01)A perturbed hard-sphere chain equation of state (PHSC) is employed to predict the volumetric properties of some nanofluids containing Co3O4 in ethylene glycol (EG), SnO2 in EG, TiO2-anatase (-A) in EG, TiO2-rutile (-R) in ...
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Molecular Analysis of Potential Inhibitors Against SARS-CoV-2: Computational Approach
(Iranian Chemical Society, 2023-12-01)SARS-CoV-2 has ravaged numerous in the world and it is at present a subject of research. In this study, we present two potential antiviral compounds for the treatment of this disease compared with the current reference ...
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In Silico Study of the Effect of Porphyrin-Based Ligands on the Structure of G-Quadruplex in the Presence of Different Ions
(Iranian Chemical Society, 2023-12-01)The interaction of the three planar porphyrins (L1), 5,10,15,20-tetrakis (1-ethyl-1-λ4-pyridine-4-yl) porphyrin (L2), and 5,10,15,20-tetrakis (1-methyl-1-λ4-pyridine-4-yl) porphyrin (L3), with G-quadruplex in the presence ...



