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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
Mon Feb 01 2016
Journal Name
Journal Of Economics And Administrative Sciences
Variables yet and future help in the development of human resources
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 This research aims to study a range of yet and future variables that can affect human resources in Iraq and public organizations that influence the size of each, and the extent of its contribution to the development of human resources through the National Investment Commission of Baghdad. The identified research problem in a set of questions was the most important, what are the variables that help in the development of human resources to the Investment Commission of Baghdad theme of the search, in order to achieve the goal of research and answer questions about the problem, applied research on both the research community's (55) individual executives and employees.

 Researcher has identified a r

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Publication Date
Fri Dec 22 2023
Journal Name
Al-rafidain Journal Of Medical Sciences ( Issn 2789-3219 )
Clinical Characteristics and Therapeutic Management of Osteogenesis Imperfecta in Iraqi Children
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Background: Osteogenesis imperfecta (OI) is a rare congenital condition that results in bone fragility, recurrent fractures, and various extra-skeletal manifestations. Currently, intravenous bisphosphonate is the mainstay of medical treatment in OI. Objective: To identify the effect of current management strategies on Iraqi children diagnosed with OI. Methods: A retrospective study enrolled OI patients who were registered in Central Child Teaching Hospital, Baghdad, Iraq, from January 2015 to December 2022. We enrolled confirmed OI cases (either clinically and/or radiologically) who received cyclic pamidronate therapy for at least 3 cycles. They neither received other types of bisphosphonates nor underwent surgical intervention. Res

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Publication Date
Sun Dec 01 2013
Journal Name
Baghdad Science Journal
Effect of Pregnancy on Selenium, Cupper ,Zinc and Others Biochemical Feacture
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Pregnancy is a stressful condition in which many physiological and metabolic functions are altered to a considerable extent . Pregnancy is a physiological state accompanied by a high-energy demand and an increased oxygen requirement. The present study aim to study selenium ,zinc cupper in the first trimester of pregnancy. The study group comprised of Fourty five pregnant women and twenty six non pregnant women as control . The samples were taken from pregnant women who come to several heath center in Baghdad city to cheak up. Laboratory investigations including Cupper, Ceruloplasmin, Total Antioxidant (TAA), malondialdehyde (MDA), glutathione (GSH), Zinc, Uric acid, and Selenium had been measured in pregnant women and control . Th

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Publication Date
Wed Dec 30 2009
Journal Name
Iraqi Journal Of Physics
Photostability of PMMA-TiO2 micro composites and PMMA-TiO2 nano composites
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Comparison for the optical energy gap between pure
PMMA , PMMA-TiO2 micro composites and PMMA-TiO2 nano
composites have been investigated under uv – radiation , the
effect of time irradiation (0,6,12,24,48,72,96 and 120) have been
studied for these specimens to study the photic stability .The
results show that the photostability of the PMMA-TiO2
nanocomposite is higher than that of the pure PMMA and
PMMA-TiO2 micro composite under UV-light irradiation

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Publication Date
Sun Jan 01 2017
Journal Name
J. Of University Of Anbar For Pure Science
Synthesis , characterization and electrical properties of conductive polyaniline/ functionalized MWCNT nanocomposites
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by in situ polymerization of aniline monomer, conducting polyaniline (PANI) nanocomposites containing various concentrations of carboxylic acid functionalized multi-walled carbon nanotubes (f-MWCNT) were synthesized. The morphological and electrical properties of pure PANI and PANI /MWCNT nanocomposites were examined by using Fourier transform- infrared spectroscopy (FTIR), X-ray diffraction (XRD) and Atomic Force Microscopy (AFM) respectively. FTIR spectra shows that the carboxylic acid groups formed at the both ends of the sidewalls of the MWCNTs. The aniline monomers were polymerized on the surface of MWCNTs, depending on the -* electron interaction between aniline monomers and MWCNTs and hydrogen bonding into interaction between t

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Publication Date
Sun Jan 22 2012
Journal Name
Arabian Journal Of Geosciences
Geohistory analysis and basin development of the Neogene succession, NE Iraq
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Publication Date
Fri Mar 31 2023
Journal Name
2nd International Conference On Mathematical Techniques And Applications: Icmta2021
Annealing effect on structural and optical properties of Sb2S3 thin film
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The effect of annealing on the structural and optical properties of Antimony trisulfide (Sb2S3) is investigated. Sb2S3 powder is vaporized on clean glass substrates at room temperature under high vacuum pressure to form thin films. The structural research was done with the aid of X-ray diffraction (XRD) and atomic force microscopy (AFM). The amorphous to the polycrystalline transformation of these thin films was shown by X-ray diffraction analysis after thermal annealing. These films' morphology is explained. The absorption coefficient and optical energy gap of the investigated films are calculated using transmission spectra. Both samples have strong absorption in the visible spectrum, according to UV-visible absorption spectra. The optical

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Publication Date
Fri Sep 17 2021
Journal Name
Canadian Journal Of Physics
Synthesis, characterization, photoluminescence, and antibacterial activities of silica-graphene oxide composites
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In this research, a novel thin film Si-GO10 and nanopowders Si-GO30 of silica-graphene oxide (GO) composite were prepared via the sol–gel method and deposited on glass substrates using spray pyrolysis. X-ray diffraction (XRD) results showed a relatively strong peak in the graphite layer that corresponds to the (002) plane. Transmission electron microscope (TEM) images showed that SiO2 nanoparticles were randomly distributed on the surface of GO plates, and the particle size in these nanopowders was below 50 nm. Field emission scanning electron microscopy (FESEM) analysis demonstrated that silica nanoparticles on the surface of GO plates exhibited almost spherical and rod-like nanoparticle shape, which in turn confirmed the formation of Si

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Publication Date
Thu Dec 15 2022
Journal Name
Al-academy
Philosophy of values and its epistemological representations in industrial product design
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The research dealt with the concepts of the philosophy of values ​​and its epistemological variables according to specific propositions represented in their scientific approaches to value theory in the field of industrial design. As the epistemological propositions of the theory of values ​​were dealt with based on the epistemological fields that dealt with the concept and what values ​​are, starting with the modernist propositions and postmodern, passing through the propositions of sociological and psychological thought, which was a prelude to extracting the concepts of value theory and adopting it in the field of industrial product design. The epistemological approaches to value theory in industrial product design were repr

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Publication Date
Sat Mar 01 2014
Journal Name
Eeng. &tech.journal
Preparation and Characterization of High Quality SnO2 Films Grown by (HPCVD)
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ABSTRACT: In this research SnO2 thin films have been prepared by using hot plate atmospheric pressure chemical vapor deposition (HPCVD) on glass and Si (n-type) substrates at various temperatures. Optical properties have been measured by UV-VIS spectrophotometer, maximum transmittance about (94%) at 400 0C. Structure properties have been studied by using X-ray diffraction (XRD) , its shows that all films have a crystalline structure in nature and by increasing growth temperature from(350-500) 0C diffraction peaks becomes sharper and grain size has been change. Atomic force microscopy (AFM) uses to analyze the morphology of the Tine Oxides surface structure. Roughness & Root mean square for different temperature have been investigated. The r

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