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Hydrogenation of pyridine and hydrogenolysis of piperidine over $γ$-Mo2N 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.

Publication Date
Fri Sep 01 2023
Journal Name
Iraqi Journal Of Physics
Fabrication and Characterization of Silicon Nanowires Heterojunction Solar Cell
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Silicon nanowire arrays (SiNWs) are created utilizing the metal-assisted chemical etching method with an Ag metal as a catalyst and different etching time of 15, 30, and 60 minutes using n-Si (100). Physical properties such as structural, surface morphology, and optical properties of the prepared SiNWs are studied. The diameter of prepared SiNWs ranged from 20 to 280 nm, and the reflectance in the visible part of the wavelength spectrum was less than 1% for all prepared samples. The obtained energy gap of prepared SiNWs was around 2 eV, which is higher than the energy gap of bulk silicon. X-ray diffraction (XRD) has diffraction peaks at 68.70o for all prepared samples. The heterojunction solar cell was fabricated based on the

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Publication Date
Tue Jun 30 2009
Journal Name
Al-kindy College Medical Journal
Isolation, Identification, and Antimicrobial Susceptibility of Uropathogenic Morganella Morganii
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Background: Morganella morganii is one of the important nosocomial pathogens that may cause urinary tract infection and bacteremia.Methods: The above bacterium was identified from 250 bacterial strains which were isolated from 220 urine samples of patients with urinary tract infection. Antimicrobial susceptibility, by using disk diffusion method, of isolates was tested against some antibiotics.Results: Two M. moganii strains were isolated from female catheterized urinary tract patients, and identified by conventional biochemical tests and API20E system at the first time in Iraq. Both of them produced urease and hemolysin. Antimicrobial susceptibility test showed that these strains are resistant to, amoxicillin-clavulanate, cephalothin, g

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Publication Date
Thu Oct 01 2015
Journal Name
Journal Of Engineering
Wear Rate and Hardness of Boride Low Carbon Steel
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There are no single materials which can withstand all the extreme operating conditions in modern technology.  Protection of the metals from hostile environments has therefore become a technical and economic necessity.  

In this work, for enhancing their wear-resistance, boride layers were deposited on the surface of low carbon steel by a pack cementation method at 850 °C for (2, 4, and 6) h using vacuum furnace. The boronizing process was achieved using different concentration of boron source (20, 25, and 30) % wt. into coating mixture to optimize the best conditions which ensure the higher properties with lower time. The coating was characteristic by X ray diffraction (XRD), and it is confirmed t

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Publication Date
Fri Jun 29 2018
Journal Name
Journal Of Engineering
Preparation and Characterization of AgNp/PVDF Cmposite Ultrafiltration Membrane
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In this study, polymeric ultrafiltration (UF) membranes were prepared by phase inversion method to obtain both antibacterial and organic antifouling properties. The membranes were cast from a solution of polyvinylidene fluoride (PVDF) and formative silver (Ag) nanoparticles were successfully immobilized on a polymer. This was done using a solvent N, N-dimethylformamide (DMF) which is a solvent for the PVDF polymer meanwhile it is a reducing agent for silver ion. The effect of silver nanoparticles additives on the performance of polymeric ultrafiltration membrane was verified. Chemical composition and morphology of the surfaces of the membranes were characterized by Fourier transform infrared spectroscopy

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Publication Date
Mon Mar 08 2021
Journal Name
Baghdad Science Journal
Structural and mechanical properties of dental amalgam record locally
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The dental amalgam of radioactive materials in the restoration of teeth because of its readily adaptable to existing materials in the oral cavity in addition to mechanical properties such as hardness mechanical resistance Alndgat and others in this study were prepared Almlagm used Guy dental restoration of silver alloy tin plus some elements to improve the characteristicsmechanical such as copper, zinc or indium in addition to mercury

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Publication Date
Sat Jun 19 2021
Journal Name
Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)
Synthesis, Characterization and Antibacterial Evaluation of Some Coumarin Derivatives
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Coumarin derivatives have shown different biological activities, such as antifungal, antibacterial   antiinflammatory, and antioxidant activities, besides antibiotic resistance modulating effects, and anti-HIV, hepatoprotective, and antitumor effect. So, new coumarin derivatives (hydrazones and an amide) were synthesized through multisteps reactions. All the synthesized target compounds were characterized by FT-IR spectroscopy, 1HNMR analysis. The compounds then evaluated for their anti-bacterial activity by means of well-diffusion method against two gram-positive bacteria (Staphylococcus aureus, Streptococcus pneumoniae) and two gram-negative bacteria  (E.coli and Pseudomonas aeruginosa). The highest activity was demonstr

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Publication Date
Sun Feb 10 2019
Journal Name
Journal Of The College Of Education For Women
The Inheritance of Women: Stolen Money and Refunded Rights
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Praise be to Allaah Mahmoud every tongue, the idol of all time, which is not without
his knowledge everywhere, not occupied like for like, most of all likes and peer, and picnic
for wife and children, and carried out his reign in all the subjects, neither representative by the
brains to think, nor fancy hearts photography, (is not nothing like Him, He is the All-Seer),
and prayer and peace be upon the Messengers Muhammad and his family and companions
and followed them in truth until the Day of Judgment.
After…..
Has spoken in this search for The inheritance of women before and after Islam
legislative provisions which, because of its importance to show the right of women's rights,
which began Msluba before Isl

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Publication Date
Sun Dec 02 2012
Journal Name
Baghdad Science Journal
Synthesis and Characterization of Derivatives Based on 4, - Dimercaptobiphenyl
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Starting from 4, - Dimercaptobiphenyl, a variety of phenolic Schiff bases (methylolic, etheric, epoxy) derivatives have been synthesized. All proposed structure were supported by FTIR, 1H-NMR, 13C-NMR Elemental analysis all analysis were performed in center of consultation in Jordan Universty.

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Publication Date
Mon Dec 01 2014
Journal Name
Journal Of Economics And Administrative Sciences
The Organiational challenges and thier effect of organiational rituals
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Administrative leaders conserned to understand the challenges which are faced their organizations and try to assimilate and adapt with the extent that achieves to it efficiency and effective- ess, and standing face to face to faceing any challenge.that threaten it’s existence thro- ugh using modern inputs reached to that level of these  challenges and applied the study on a sample deliberate random from teaching hospitals of the Directorate General for Health Baghdad Karkh, and the Directorate General for Health Baghdad Rusafa and the City of Medicine , The importance of t

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Publication Date
Mon Nov 05 2018
Journal Name
Iraqi National Journal Of Nursing Specialties
Evaluation and Comparison of Complete Dentures’ Complaints: Post-insertion
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Aims: This study aims to compare patients’ complaints and problems of wearing complete dentures.
Methodology: The sample included 40 Iraqi patients who are wearing complete dentures from about five years ago. They
were selected randomly with a age range between (55–65) years. The questions asked to the patients were listed according
to the recent classification of post-insertion problems.
Result: The results showed that the percentage of patient's complaint from adaptation problems (62.1%) was higher than
looseness problems (61.3%) and discomfort problems (39.3%) as followed.
Recommendation: Dentists need thorough knowledge of anatomy, physiology, pathology and psychology. The assessing
of the psyche and emotions

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