Search Results - "Shibl, Mohamed F."
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AEO7 Surfactant as an Eco-Friendly Corrosion Inhibitor for Carbon Steel in HCl solution
Published in Scientific reports (19-02-2019)“…The impact of AEO7 surfactant on the corrosion inhibition of carbon steel (C-steel) in 0.5 M HCl solution at temperatures between 20 °C and 50 °C was…”
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Pyrolytic elimination of ethylene from ethoxyquinolines and ethoxyisoquinolines: a computational study
Published in Scientific reports (17-04-2023)“…This work reports a thermo-kinetic study on unimolecular thermal decomposition of some ethoxyquinolines and ethoxyisoquinolines derivatives…”
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Wide Nematogenic Azomethine/Ester Liquid Crystals Based on New Biphenyl Derivatives: Mesomorphic and Computational Studies
Published in Molecules (Basel, Switzerland) (28-06-2022)“…The thermal stability and mesomorphic behavior of a new biphenyl azomethine liquid crystal homologues series,…”
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Vanadium Carbide (V 4 C 3 ) MXene as an Efficient Anode for Li-Ion and Na-Ion Batteries
Published in Nanomaterials (Basel, Switzerland) (17-08-2022)“…Li-ion batteries (LIBs) and Na-ion batteries (SIBs) are deemed green and efficient electrochemical energy storage and generation devices; meanwhile, acquiring…”
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Development of Biocompatible Electrospun PHBV-PLLA Polymeric Bilayer Composite Membranes for Skin Tissue Engineering Applications
Published in Molecules (Basel, Switzerland) (01-05-2024)“…Bilayer electrospun fibers aimed to be used for skin tissue engineering applications were fabricated for enhanced cell attachment and proliferation. Different…”
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Thermochemistry and Kinetics of the Thermal Degradation of 2-Methoxyethanol as Possible Biofuel Additives
Published in Scientific reports (14-03-2019)“…Oxygenated organic compounds derived from biomass (biofuel) are a promising alternative renewable energy resource. Alcohols are widely used as biofuels, but…”
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Removal of antibiotics from aqueous solutions: insights of competitive adsorption onto Ni-impregnated biochar of spent coffee grounds
Published in Applied water science (01-09-2024)“…Antibiotics are among the most widely used pharmaceutically active compounds. Possessing the capability to adversely impact the ecological system, existence of…”
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Ab initio chemical kinetics of Isopropyl acetate oxidation with OH radicals
Published in Green chemistry letters and reviews (02-01-2023)“…Global reactivity descriptors of isopropyl acetate (IPA) and thermo-kinetic aspects of its oxidation via OH radicals have been studied. Transition state theory…”
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Mandarin Peels-Derived Carbon Dots: A Multifaceted Fluorescent Probe for Cu(II) Detection in Tap and Drinking Water Samples
Published in Nanomaterials (Basel, Switzerland) (17-10-2024)“…Carbon dots (CDs) derived from mandarin peel biochar (MBC) at different pyrolysis temperatures (200, 400, 600, and 800 °C) have been synthesized and…”
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Cost estimation of synthesis and utilization of nano-adsorbents on the laboratory and industrial scales: A detailed review
Published in The Science of the total environment (01-06-2023)“…The recent regulations pertaining to the circular economy have unlocked new prospects for researchers. In contrast to the unsustainable models associated with…”
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High-dimensional exciton-vibrational wave-packet dynamics in the FMO complex. influence of site-specific spectral densities
Published in EPJ Web of Conferences (2019)“…The correlated exciton-vibrational dynamics of the Fenna-Matthews-Olson (FMO) complex is studied using Multi-layer Multi-configuration Time-dependent Hartree…”
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Geometric H/D Isotope Effects and Cooperativity of the Hydrogen Bonds in Porphycene
Published in Chemphyschem (02-02-2007)“…We investigate the primary, secondary, and vicinal hydrogen/deuterium (H/D) isotope effects on the geometry of the two intramolecular hydrogen bonds in…”
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Isotope and Phase Effects on the Proton Tautomerism in Polycrystalline Porphycene Revealed by NMR
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (12-03-2009)“…Using high resolution solid state 15N and 2H spectroscopy and longitudinal relaxometry we have studied the tautomerism of porphycene in the solid state,…”
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Simulated kinetics of the atmospheric removal of aniline during daytime
Published in Chemosphere (Oxford) (01-09-2020)“…Oxidations of aniline (AN) initiated by OH-radicals are simulated in the temperature range 200–400 K using DFT/M06-2X/6-311++G(2df,2p) and ab initio ROCBS-QB3…”
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Adsorption and diffusion of potassium on layered SnO: a DFT analysis
Published in Journal of materials science (01-02-2023)“…Owing to their low cost, potassium-ion batteries (PIBs) are considered the best alternatives to Li-ion batteries (LIBs) due to the high abundance and…”
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Computational Studies on the Thermodynamic and Kinetic Parameters of Oxidation of 2-Methoxyethanol Biofuel via H-Atom Abstraction by Methyl Radical
Published in Scientific reports (25-10-2019)“…In this work, a theoretical investigation of thermochemistry and kinetics of the oxidation of bifunctional 2-Methoxyethanol (2ME) biofuel using methyl radical…”
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Multi-cavity molecular descriptor interconnections: Enhanced protocol for prediction of serum albumin drug binding
Published in European journal of pharmaceutics and biopharmaceutics (01-01-2024)“…The role of human serum albumin (HSA) in the transport of molecules predicates its involvement in the determination of drug distribution and metabolism…”
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What Happens Without Nickel? Cyclization Reactions of Ethylene with Ethanedithial and Related Molecules
Published in Journal of computational chemistry (05-07-2018)“…We present a computational study of the mechanism of the formation of 6‐member heterocycles through the binding of ethylene to oxaldehyde, ethanedithial, and…”
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Inherent Efficacies of Pyrazole-Based Derivatives for Cancer Therapy: The Interface Between Experiment and In Silico
Published in Future medicinal chemistry (01-09-2023)Get full text
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1H/2H NMR Studies of Geometric H/D Isotope Effects on the Coupled Hydrogen Bonds in Porphycene Derivatives
Published in Journal of the American Chemical Society (17-01-2007)“…The 1H and 2H NMR spectra of porphycene (1), 2,3,6,7,12,13,16,17-octaethylporphycene (2), 2,7,12,17-tetra-n-propylporphycene (3), and…”
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