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Hydrogenation of pyridine and hydrogenolysis of piperidine over <i>γ-</i>Mo<sub>2</sub>N catalyst: a DFT study
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Increasing demands on producing environmentally friendly products are becoming a driving force for designing highly active catalysts. Thus, surfaces that efficiently catalyse the nitrogen reduction reactions are greatly sought in moderating air-pollutant emissions. This contribution aims to computationally investigate the hydrodenitrogenation (HDN) networks of pyridine over the γ-Mo2N(111) surface using a density functional theory (DFT) approach. Various adsorption configurations have been considered for the molecularly adsorbed pyridine. Findings indicate that pyridine can be adsorbed via side-on and end-on modes in six geometries in which one adsorption site is revealed to have the lowest adsorption energy (–45.3 kcal/mol). Over a nitrogen hollow site adsorption site, initial HDN steps proceed by the stepwise hydrogenation of pyridine into piperidine followed by the Langmuir–Hinshelwood mechanism. The obtained findings are the first to theoretically model the hydrogenation pathways of pyridine to form piperidine and then the hydrogenolysis of piperidine producing C5H12 and NH3 over metal nitride. These paved the way for further investigations to better understanding such an important nitrogen removal reactions.

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Publication Date
Sun Mar 06 2016
Journal Name
Baghdad Science Journal
Isolation and Purification of a Cyclooxygenase-2 from the Blood of a Patient Suffering from Rheumatoid Arthritis and Studying the Effect of Natural Products of the Soapwort on the Activity of Purified Enzyme
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In this paper to isolate and study the properties of the cyclooxygenase-2 (EC: 1.14.99.1) enzyme in the blood of a patient suffering from rheumatoid arthritis and study the effect of natural products of the Soapwort on the activity of purified enzyme. The study involves taking 30 ml of blood from an adult woman 40 years old, who suffers from rheumatoid arthritis disease for 13 years. Serum is separated and subjected to a series of purification processes including: precipitation by ammonium sulfate, filtration by centrifugation radiator, dialysis in presence of ammonium bicarbonate, separation using the technology of ion exchange, lipholization and then estimating approximate molecular weight of the enzyme using gel filtration techni

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Publication Date
Sat Dec 01 2018
Journal Name
Indian Journal Of Natural Sciences
Determination of the Electron Density Variation for Ionosphere Layer Over Iraqi Zone Using IRI Model
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KA Hadi, AH Asma’a, IJONS, 2018 - Cited by 1

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Publication Date
Tue Dec 01 2009
Journal Name
Al-khwarizmi Engineering Journal
Studying the Factors Effect on the Flowability of (ZnO – CuO/ Al2O3) Catalyst with Blending of Different Lubricants through Hopper
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One of the most important problems in tablet process is to control the flow of the catalyst through the hopper; Controlling the flow can be done either by changing the size of particles or added the different lubricant (stearic acid, starch, graphite) or blending of different lubricants. The study showed that we can control (increase or decrease) on the flow of the catalyst through the hopper by blending different lubricants for the constant percentage. The flow increasing when particles size (0.6 mm) and then decrease with or without lubricants, no effect on flow when particles size lower than (0.2 mm) with use that lubricants, and good flow on (0.4 mm) when use stearic acid and starch.

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Publication Date
Tue Jul 14 2020
Journal Name
Baghdad Science Journal
The Green Synthesize of Zinc Oxide Catalyst Using Pomegranate Peels Extract for the Photocatalytic Degradation of Methylene Blue Dye
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In this study, the zinc oxide NPs have been synthesized from the fresh pomegranate peels extract using the precipitation method. The ZnO nanoparticles were produced from the reaction of fresh peels extract with zinc acetate salt which was used as zinc source in the presence of 2 M NaOH. The green synthesized nanoparticles were characterized through X-ray diffraction (XRD), UV-Vis diffuse reflection spectroscopy, Fourier transform infrared spectroscopy (FTIR), and Atomic force microscopy (AFM). The XRD patterns confirm the formation of hexagonal wurtzite phase structure for ZnO synthesized using pomegranate peels extract with average crystalline size of 28 nm. FTIR spectra identify the presence of many active functional groups for the pom

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Publication Date
Fri Nov 15 2024
Journal Name
Iraqi Journal Of Science
Investigating the Annual Cross-Correlation between HPF, OWF and BUF Ionospheric Parameters over Middle East Region
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In this work various correlation methods were employed to investigate the annual cross-correlation patterns among three different ionospheric parameters: Optimum Working Frequency (OWF), Highest Probable Frequency (HPF), and Best Usable Frequency (BUF). The annual predicted dataset for these parameters were generated using VOCAP and ASASPS models based on the monthly Sunspot Numbers (SSN) during two years of solar cycle 24, minimum 2009 and maximum 2014. The investigation was conducted for Thirty-two different transmitter/receiver stations distributed over Middle East. The locations were selected based on the geodesic parameters which were calculated for different path lengths (500, 1000, 1500, and 2000) km and bearings (N, NE, E, S

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Publication Date
Sun Jun 12 2011
Journal Name
Baghdad Science Journal
Superconducting Properties of the (Bi0.8Pb0.2)2(Sr0.9Ba0.1)2 Ca2Cu3-x Nix O10+? System.
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The effect of substitution of Ni on Cu in (Bi0.8Pb0.2)2(Sr0.9Ba0.1)2 Ca2Cu3-x Nix O10+? for (x=0,0.1….1,2,3) superconductor system and sintering time has been investigated .The samples were prepared by solid-state reaction methods. The results show that the optimum sintering temperature is equal to 850 ºC, and the sintering time is equal to 140 h. The highest transition temperature (Tc) obtained for (Bi0.8Pb0.2)2(Sr0.9Ba0.1)2 Ca2Cu3-x NixO10+? composition was 113 with x=0.8 Phase analyses of the samples by X-ray diffraction (XRD) analysis showed an orthorhombic structure with a high Tc phases (2223) as a dominant phase and low Tc phase (2212) in addition to some impurity phases.

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Publication Date
Fri Dec 01 2023
Journal Name
Chemical Methodologies
Investigations on TiO<inf>2</inf>-NiO@In<inf>2</inf>O<inf>3</inf> Nanocomposite Thin Films (NCTFs) for Gas Sensing: Synthesis, Physical Characterization, and Detection of NO<inf>2</inf> and H<inf>2</inf>S Gas Sensors
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Scopus
Publication Date
Mon Sep 01 2008
Journal Name
Al-khwarizmi Engineering Journal
Design and Simulation of GaussianFSK Transmitter in UHF Band Using Direct Modulation of ΣΔ Modulator Fractional-N Synthesizer
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This research involves design and simulation of GaussianFSK transmitter in UHF band using direct modulation of ΣΔ  fractional-N synthesizer with the following specifications:

Frequency range (869.9– 900.4) MHz, data rate 150kbps, channel spacing (500 kHz), Switching time 1 µs, & phase noise @10 kHz = -85dBc.

New circuit techniques have been sought to allow increased integration of radio transmitters and receivers, along with new radio architectures that take advantage of such techniques. Characteristics such as low power operation, small size, and low cost have become the dominant design criteria by which these systems are judged.

A direct modulation by ΣΔ  fractional-N synthesizer is proposed

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Publication Date
Sat Oct 01 2022
Journal Name
Inorganic Chemistry Communications
Synthesis, characterization, and bioactivity of several metal complexes of (4-Amino-N-(5-methyl-isaxazol-3-yl)-benzenesulfonamide)
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4-Amino-N-(5-methyl-isaxazol-3-yl)-benzenesulfonamide was synthesized by reacting the diazonium salt of sulfamethoxazole with 3-amino phenol. Complexes of Ni(II), Pd(II), Au(III), and Pt(IV) were produced and characterized by atomic absorption, elemental microanalysis, infrared spectroscopy, liquid chromatography–mass spectroscopy, thermogravimetric analysis, different scanning calorimetry, and ultraviolet–visible spectroscopy. Furthermore, the conductivity and magnetic properties were quantified. According to the analytical studies, all complexes were found to possess a 1:2 metal–ligand ratio and were non-electrolytes, except the Au(III) complex electrolyte, which had a 1:1 metal:ligand ratio. The biological activities of some of the

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Publication Date
Tue Jan 01 2019
Journal Name
Journal Of Engineering And Applied Sciences
Effect Of Aluminum On The Structural, Optical, Electrical And Photovoltaic Properties Of ZnSe/n-Si Heterojunction Solar Cell
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Aluminum doped zinc selenide ZnSe/n-Si thin films of (250∓20 nm) thickness with (0.01, 0.02 and 0.03), are depositing on the two type of substrate (glass and n-Si) to manufacture (ZnSe/n-Si) solar cell through using thermal vacuum evaporation procedure. physical and optoelectronic properties were examined for the samples. X-Ray and AFM techniques are using to study the structure properties. The energy band gap of as-deposited ZnSe thin films for changed dopant ratio were ranging from (2.6-2.68 eV). The results of Hall effect show that pure and doping films were (p-type), and the concentration carriers and the carriers mobility increases with increase Al-dopant ratio. The (C-V) have shown that the heterojunction were of abrupt type. In add

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