Search Results - "Elanany, Mohamed"
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1
An overview of organic liquid phase hydrogen carriers
Published in International journal of hydrogen energy (28-12-2016)“…An overview study for assessing the feasibility of using organic compounds as hydrogen carriers is conducted. A literature survey and preliminary molecular…”
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2
Design and synthesis of novel cytotoxic fluoroquinolone analogs through topoisomerase inhibition, cell cycle arrest, and apoptosis
Published in Scientific reports (13-03-2023)“…To exploit the advantageous properties of approved drugs to hasten anticancer drug discovery, we designed and synthesized a series of fluoroquinolone (FQ)…”
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3
Progress in the development of sour corrosion inhibitors: Past, present, and future perspectives
Published in Journal of industrial and engineering chemistry (Seoul, Korea) (25-11-2019)“…[Display omitted] Metallic pipelines and gathering tanks play a vital role during oil and gas exploration, production, transmission, and processing. These…”
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4
Computer-assisted catalyst development via automated modelling of conformationally complex molecules: application to diphosphinoamine ligands
Published in Scientific reports (25-02-2021)“…Simulation of conformationally complicated molecules requires multiple levels of theory to obtain accurate thermodynamics, requiring significant researcher…”
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5
Screening a Panel of Topical Ophthalmic Medications against MMP-2 and MMP-9 to Investigate Their Potential in Keratoconus Management
Published in Molecules (Basel, Switzerland) (02-06-2022)“…Keratoconus (KC) is a serious disease that can affect people of any race or nationality, although the exact etiology and pathogenic mechanism are still…”
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6
Chemical and Biological Review of Endophytic Fungi Associated with Morus sp. (Moraceae) and In Silico Study of Their Antidiabetic Potential
Published in Molecules (Basel, Switzerland) (10-02-2023)“…The chronic nature of diabetes mellitus motivates the quest for novel agents to improve its management. The scarcity and prior uncontrolled utilization of…”
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7
XTBDFT: Automated workflow for conformer searching of minima and transition states powered by extended tight binding and density functional theory
Published in SoftwareX (01-12-2022)“…Recent developments have greatly increased accuracy, applicability, and accessibility of extended tight binding theory (XTB), allowing for rapid semi-empirical…”
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8
Tuning a Cr-Catalyzed Ethylene Oligomerization Product Profile via a Rational Design of the N-aryl PNP Ligands
Published in Catalysts (01-07-2024)“…An approach towards incorporating varied degrees of steric profiles around the ligand’s backbone, which were envisaged to alter the catalytic paths leading to…”
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9
Exploring the sedative properties of natural molecules from hop cones ( Humulus lupulus ) as promising natural anxiolytics through GABA receptors and the human serotonin transporter
Published in Frontiers in chemistry (10-07-2024)“…This research work aimed to identify the main components that are responsible for the sedative properties of hop cones and allocate their targets. This…”
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Identification of Some Promising Heterocycles Useful in Treatment of Allergic Rhinitis: Virtual Screening, Pharmacophore Mapping, Molecular Docking, and Molecular Dynamics
Published in Russian journal of bioorganic chemistry (2022)“…Rhinitis is an allergic disease that causes troubles and restlessness for patients. In this research work we will focus on finding promising organic molecules…”
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11
A Quantum Molecular Dynamics Simulation Study of the Initial Hydrolysis Step in Sol−Gel Process
Published in The journal of physical chemistry. B (20-02-2003)“…The dynamic behavior of the hydrolysis reaction of Si(OCH3)4 under neutral, basic, and acidic conditions was investigated, for the first time, at the atomic…”
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12
Design of new captopril mimics as promising ACE inhibitors: ADME, pharmacophore, molecular docking and dynamics simulation with MM-PBSA and PCA calculations
Published in Journal of Taibah University for Science (31-12-2023)“…New pyrrolidine derivatives with more than 50% structural similarity with captopril were designed to get new captopril mimics with superior potential to act on…”
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13
Formation and Characterization of High Surface Area Thermally Stabilized Titania/Silica Composite Materials via Hydrolysis of Titanium(IV) tetra-Isopropoxide in Sols of Spherical Silica Particles
Published in Journal of colloid and interface science (15-05-2002)“…A direct synthetic route leading to titania particles dispersed on nonporous spherical silica particles has been investigated; 5, 10, and 20% (w/w)…”
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14
Periodic density functional investigation of Brønsted acidity in isomorphously substituted chabazite and AlPO-34 molecular sieves
Published in Microporous and mesoporous materials (17-06-2004)“…The relative strength of Brønsted acid sites in isomorphously substituted chabazite (M–CHA; Me=Al 3+, Ga 3+, B 3+, Sc 3+ and Fe 3+) and aluminophosphate-34…”
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15
Tight-binding quantum chemical molecular dynamics simulation of boron activation process in crystalline silicon
Published in Applied surface science (15-05-2005)“…The precise control of dopant atom is one of the most important challenges to fabricate ultra-shallow and highly doped junctions. In the present study, the…”
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Calendula officinalis Phytochemicals for the Treatment of Wounds Through Matrix Metalloproteinases-8 and 9 (MMP-8 and MMP-9): In Silico Approach
Published in Natural product communications (01-05-2022)“…Diabetic foot ulceration is a common complication of an uncontrolled diabetic regimen and is considered a serious type of wound. Matrix metalloprteinases…”
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17
Chemical and Biological Review of Endophytic Fungi Associated with IMorus/I sp. and In Silico Study of Their Antidiabetic Potential
Published in Molecules (Basel, Switzerland) (01-02-2023)“…The chronic nature of diabetes mellitus motivates the quest for novel agents to improve its management. The scarcity and prior uncontrolled utilization of…”
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18
Alkyl carbon number limits the ring-number separation of polycyclic aromatic compounds in petroleum analysis
Published in Fuel (Guildford) (15-01-2021)“…[Display omitted] •Application of a normal-phase liquid chromatographic method for the separation of a crude oil according to the number of aromatic…”
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19
Design and development of N-vinylcaprolactam copolymers as kinetic hydrate inhibitors for sour gas environments
Published in Fuel (Guildford) (01-03-2022)“…This work presents the design, development and performance evaluation of new copolymers of N-Vinylcaprolactam and N-acryloyl comonomers as kinetic hydrate…”
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20
Synthesis and Evaluation of a New Acryloyl-Based Copolymer as Kinetic Hydrate Inhibitor for Sour Gas Environments
Published in Energy & fuels (19-11-2020)“…Blockage of gas flow lines by gas hydrates is a major problem in the oil and gas industry, which leads to severe safety issues and causes economic losses…”
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