266 Result(s)
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Inorganic Chemistry
Physical Chemistry
Ben Ep**er
Article
Chemistry
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Article
Delayed Fluorescence and Amplified Chirality via Modified Substitution Position for Deep-red Circularly Polarized Organic Light Emitting-diodes
Develo** easily accessible deep-red/near-infrared circularly polarized emitters for practical organic light-emitting diodes remains a significant challenge. Here, a practical strategy has been proposed for d...
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Study on combustion characteristics and smoke components of aviation cable under low pressure
In order to study the cruise safety of aircraft under high altitude and low pressure, the combustion characteristics of protective cover and insulation layer of waxy aviation cable FXL under normal pressure an...
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Novel CuO–SiO2 nanocomposites: synthesis, kinetics, recyclability, high stability and photocatalytic efficiency for Rose Bengal dye removal
A novel CuO–SiO2 nanoadsorbent, incorporating copper oxide (CuO) and silicon dioxide (SiO2), has been successfully synthesized using three distinct preparation processes: Mode-A (solution and solution), Mode-B (s...
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A new Ni(II) metalloporphyrin: characterization, theoretical sensing calculations and catalytic degradation of methylene blue and methyl orange dyes
With the aim of studying the electronic and structural properties of metalloporphyrins, we first prepared the 4-acetoxy-3-methoxy benzaldehyde (1) then by reaction this aldehyde with pyrrole the meso-arylporphyri...
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Flucytosine Antifungal Drug in Organic-Inorganic Bismuth Chloride Material: Crystal Structure, Optical Properties, Biological Activities, and Computational Insights
In this paper, we report the synthesis and characterization of a new material, (HFlucytosine)2BiCl5. The structure studied by single crystal X-ray diffraction reveals one-dimensional (1D) il [BiCl5]n2− chains su...
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Structural, Surface Interactions, Physicochemical, and Molecular Docking Evaluation of a New Hybrid 4-Chloroanilinium Trichloromercurate (II) Hybrid Material
Using the slow evaporation process, we successfully synthesized a novel hybrid material, (C6H7ClN)[HgCl3], which was subsequently characterized through various physicochemical methods. The crystal structure was d...
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Enhanced degradation of crystal violet dye under solar light by zirconium phosphate-decorated graphitic carbon nitride
Solar light-induced aqueous crystal violet (CV) dye degradation was carried out on α-zirconium phosphate/graphitic carbon nitride (α-ZrP/g-C3N4) nanocomposite. α-ZrP was synthesized by direct precipitation of zir...
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Synthesis, Characterization of (Fe, Sn) Doped and Co-Doped Copper Oxide Nanoparticles and Evaluation of their Antibacterial Activities
Undoped, Fe, Sn doped and Fe/Sn co-doped copper oxides are prepared by precipitation synthesis. X-ray diffraction confirmed that the all synthesized powders show a monoclinic main CuO phase. The insertion of F...
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Crystal Structure, Hirshfeld Surface, Vibrational Study, Optical Properties and Biological Activities of a Novel Hybrid Material 2-Methylpiperazine-1,4-Dium Tetrachlorocobaltate(II) based on DFT Calculation
A new (C5H14N2)CoCl4 compound was synthesized by slow evaporation at room temperature. Asymmetric unit of this compound consists of one tetrahedral geometry [CoCl4]2- and one diprotonated organic cations. The str...
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Formylation boosts the performance of light-driven overcrowded alkene-derived rotary molecular motors
Artificial molecular motors and machines constitute a critical element in the transition from individual molecular motion to the creation of collective dynamic molecular systems and responsive materials. The d...
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Heat transfer and fluid flow characteristics over a backward-facing step (BFS) containing square-rectangular ribs integrated as forward-facing steps (FFS)
Modifying the geometrical structures is a potential strategy that targets the compactness of any new devices in order to produce greater cooling performance. The heat transfer enhancement over a BFS with uniqu...
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Synthesize of exfoliated poly-methylmethacrylate/organomontmorillonite nanocomposites by in situ polymerization: structural study, thermal properties and application for removal of azo dye pollutant
This paper reports the synthesis of exfoliated structure of Poly-methylmethacrylate/organomontmorillonite nanocomposites by in situ polymerization of Methylmethacrylate monomer as a cost-effective adsorbent fo...
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Three isoelectronic families of X \(_4\) Y \(_4\) cubic systems
We performed several types of ab initio calculations, from Hartree-Fock to Complete-Active-Space second-order perturbation theory and Coupled Cluster, on compact clusters of stoichiometry X
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Differential thermal measurements of phase transitions at high pressures and temperatures
Thermal measurements of high-pressure transitions in metals can provide thermodynamic insight into the properties of the high-pressure high-temperature phases and their transitions. However, these measurements...
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Pure and Stone-Wales Defect Armchair Boron Nitride Graphene Nanoribbons as Anticancer Drug Delivery Vehicles: A Theoretical Investigation
This study’s methodology employs the pristine Armchair Boron Nitride Nanoribbons (ABNNR) and Armchair Boron Nitride Nanoribbons Stone–Wales (ABNNR-SW) defects as carriers for the fluorouracil (FU), Nitrosourea...
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X-Ray Crystallography, Molecular Interactions, DFT Study, and Molecular Docking Investigation of a Novel Noncentrosymmetric Cu(II) Complex of 2,6-Dimethylpyrimidin-4-(1 H)-One Based Ligand
A new Cu(II) complex with the monodentate ligand 2,6-dimethylpyrimidin-4-(1 H)-one, [CuCl(C6H8N2O)2H2O]Cl.3H2O, was synthesized and characterized by single crystal X-ray diffraction, elemental analysis, and IR sp...
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Effect of precursors on structural, optical and surface properties of ZnO thin film prepared by spray pyrolysis method: efficient removal of Cu (II) from wastewater
In this study, ZnO thin films were prepared with different precursors using the spray pyrolysis technique, zinc acetate (ZAC-0.2), zinc chloride (ZCL-0.2), and dehydrated zinc nitrate (ZNH-0.2) precursors. The...
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Computational insights on the adsorption of glycine, methionine, tyrosine and phenylalanine on the zinc oxide nanocluster Zn12O12
The current work investigated the interaction of ZnO nanoparticles (NPs) with glycine, tyrosine, methionine and phenylalanine. (ZnO)12 cage-like cluster was modeled using the density functional theory to determin...
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Exploring the impact of vanadium on physical, structural and thermal properties of bioactive glass 46S6: a comparative study with other metallic elements
Vanadium-doped quaternary bioactive glass systems 46 SiO2, (24–x/2) Na2O, (24–x/2) CaO, 6P2O5, xV, where x = 0, 0.5, 2.5, 2.8, and 5 mass% of vanadium through the use of V2O5 oxide, were successfully synthesized ...
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Article
MLP and optimized FCM-ANFIS models proposed for inlet turbulent flow under ultrasonic vibration
In this research, two methods, the multi-layer perceptron (MLP) neural network and the adaptive neuro-fuzzy inference system (ANFIS), were employed to find the best relationship between inputs and outputs of t...
