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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 Apr 01 2019
Journal Name
Materials Science In Semiconductor Processing
Synthesis and annealing process of ultra-large SnS nanosheets for FTO/SnS/CdS/Pt photocathode
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SnS has been widely used in photoelectric devices due to its special band gap of 1.2-1.5 eV. Here, we reported on the fabrication of SnS nanosheets and the effect of synthesis condition together with heat treatment on its physical properties. The obtained band gap of the SnS nanosheets is in the rage of 1.37-1.41 eV. It was found that the photo-current density of a thin film comprised of SnS nanosheets could be enhanced significantly by annealing treatment. The maximum photo-current density of the stack structure of FTO/SnS/CdS/Pt was high as 389.5 mu A cm(-2), rendering its potential application in high efficiency solar hydrogen production.

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Publication Date
Sun Jun 20 2021
Journal Name
Baghdad Science Journal
The Synoptic Characteristics, Causes, and Mechanisms of Kahlaa Tornado in Iraq on 14th April 2016
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In this study, an analysis of the synoptic characteristics, causes and mechanisms of Kahlaa tornado event was carried out. This tornado occurred on 10:30 UTC (1:30 pm Iraq Local Time) on 14 April 2016 to the north of Kahlaa town in Maysan governorate. We analyzed surface and upper charts, weather conditions, the damage indices, the dynamical features and the instability of the tornado. The analysis showed that there was a low pressure system which was an extension of the Monsoon low in addition to a supercell thunderstorm and a jet stream aloft. The cold trough and high relative vorticity at 500 hPa level, the humid warm wind blowing from the south and the dry cold wind from the north contributed to the initiation of the tornado. Accordi

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Publication Date
Fri Sep 27 2019
Journal Name
Journal Of Baghdad College Of Dentistry
Antimicrobial efficacy of silver, zinc oxide, and titanium dioxide nanoparticles incorporated in orthodontic bonding agent
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Background: One of the most important complications of fixed orthodontic treatment is formation of white spots, which are initial carious lesions. Addition of antimicrobial agents into orthodontic adhesive material might be wise solution for prevention of white spots formation. The aim of this study was to evaluate the antibacterial properties of orthodontic adhesive primer against S. Mutans after adding the three different types of nanoparticles (Ag, ZnO, or TiO2). Materials and methods: Discs were prepared using empty insulin syringe approximately 2 mm×2 mm rounded in shape specimens (40 discs) were divided into four groups (ten discs for each group): The first group was the control (made from primer only), the second group (10 dis

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Publication Date
Sat Jan 10 2015
Journal Name
British Journal Of Applied Science & Technology
The Use of Cubic Bezier Interpolation, Biorthogonal Wavelet and Quadtree Coding to Compress Color Images
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In this paper, an efficient method for compressing color image is presented. It allows progressive transmission and zooming of the image without need to extra storage. The proposed method is going to be accomplished using cubic Bezier surface (CBI) representation on wide area of images in order to prune the image component that shows large scale variation. Then, the produced cubic Bezier surface is subtracted from the image signal to get the residue component. Then, bi-orthogonal wavelet transform is applied to decompose the residue component. Both scalar quantization and quad tree coding steps are applied on the produced wavelet sub bands. Finally, adaptive shift coding is applied to handle the remaining statistical redundancy and attain e

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Publication Date
Tue Feb 01 2022
Journal Name
Journal Of Engineering Science And Technology
CORROSION of STEEL REINFORCEMENT in INTERNALLY CURED SELF-COMPACTING CONCRETE USING WASTE BRICK and THERMOSTONE
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Internal curing is a method that has been advised to decrease the primary age cracking, mainly of concrete mixes using low (water to cementitious materials - w/cm) ratios corresponding to the self-compacting concrete-(SCC). This research aims to study the effect of the internal curing using saturated lightweight aggregate- (LWA) on the steel reinforcing corrosion in SCC. In this research, crushed bricks or thermostone were partially replaced by (20%) by the weight of sand and volumetrically measured. The results showed that the steel reinforcement of internally cured concrete showed a slight increase in corrosion up to 300 days of exposure to the saline solution (containing 3.5% NaCl). The ability of using the crushed bricks or thermostone

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Publication Date
Wed Aug 26 2020
Journal Name
Iraqi Journal Of Agricultural Sciences
EFFECT OF GAMMA RADIATION AND ETHYL METHANESULFONATE (EMS) ON POTATO SALT STRESS TOLERANCE IN VITRO
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An experiment was conducted in the Date Palm Research Units labs / College of Agricultural Engineering Sciences / University of Baghdad to assess the tolerance toward salinity stress in potato after two mutagens treatments in vitro. Potato cv. Arizona and Rivera nodal segments were irradiated with four dosages of gamma rays at 0, 10, 20, and 30 Gray and immersed in (EMS) with four concentrations included 0, 10, 20, and 30 mM. The survival rates after mutagenesis treatments were calculated and 449 lines were obtained. The lines were tested for salinity tolerance by growing in MS medium supplemented with four concentrations of NaCl at 0, 100, 150, and 200 mM and data were analyzed according to the CRD with 10 replicates and means were

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Publication Date
Fri Mar 15 2024
Journal Name
Alustath Journal For Human And Social Sciences
Assessing Iraqi ESL Fourth Year College of Physical Education and Sport Sciences Students' Writing Anxiety
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يعد القلق من الكتابة مؤشرا هاما قد يعيق القدرات الكتابية ويؤدي إلى عدم كفاءة الأداء. تهدف هذه الدراسة إلى تقييم القلق الكتابي لدى طلاب السنة الرابعة في كلية التربية البدنية وعلوم الرياضة العراقيين دارسي  اللغة الإنجليزية كلغة ثانية (ESL) , حيث واجهوا صعوبات وعقبات في هذا المجال. ان تصميم الدراسة الحالية هو  تصميم وصفي واداة القياس لهذه الدراسة تتالف من مقياس مكون من (20) فقرة. ان عينة الدراسة الحالية  مختارة

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Publication Date
Fri Jan 01 2016
Journal Name
Der Pharmacia Lettre
Synthesis, characterization and anticonvulsant evaluation of new derivatives derived from 5-methoxy-2-mercapto benzimidazole
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A new series of 5-methoxy-2-mercapto benzimidazole derivatives were synthesized by the reaction of 5-methoxy- 2-mercaptobenzimidazole with chloroacetic acid and affords 2-((5-methoxy-1H-benzo[d]imidazol-2-yl)thio) acetic acid (1),which on cyclization with acetic anhydride and pyridine gives 7- methoxybenzo[4,5]imidazo[2,1-b]thiazol- 3(2H)-one(2), which on condensation with different aryl aldehydes in the presence of anhydrous sodium acetate in glacial acetic acid, furnishes a arylidene thiazolidinone. The purity of the synthesized compounds was confirmed by melting point and TLC.The structures were established by different spectral analysis such as FTIR,1HNMR, and CHN analysis. The newly synthesized compounds (3a-d) were in vivo evaluated f

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Publication Date
Tue Mar 01 2022
Journal Name
Evergreen
Development, Validation, and Performance Evaluation of An Air-Driven Free-Piston Linear Expander Numerical Model
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Publication Date
Sat Dec 03 2011
Journal Name
Ibn Al-haitham Journal For Pure And Applied Science
Detection of shoreline change in AL-Thirthar Lake using remotely sensed imagery and topography map
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