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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
Sun Jun 01 2014
Journal Name
Baghdad Science Journal
Space-Charge Effect on the Theoretical Design of Electron Gun Operated under Zero Magnification Condition
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A computational investigation is carried out in the field of charged –particle optics with the aid of numerical analysis method using the personal computer. The work is concerned with the design of electron gun with space-charge effect. The Finite element method (FEM) used in the solution of Poison's equation for determine the axial potential distribution of the two-electrode immersion lens operated under zero magnification condition , and from the solution of the paraxial ray equation the optical properties such as the focal length , spherical and chromatic aberration coefficients are determined, also a calculation of the brightness and perveance for the lens. The electrodes geometry was determined in two and three dimensi

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Publication Date
Wed Jun 07 2023
Journal Name
Journal Of Educational And Psychological Researches
The Application of the Alternative Evaluation Strategy in Social Studies In General Education in KSA
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The study aims to reveal the degree of application of the alternative evaluation strategy in social studies in public education in the Kingdom of Saudi Arabia. It also aims to identify the opinions of experts on how to implement this. The study adopted the mixed methodology, which represented in the descriptive-analytical method, and qualitative methods through the grounded theory. The study used two tools namely: a questionnaire for assessments of social studies teachers and semi-structured interview questions. The results of the study showed a medium degree of appreciation for the application of alternative evaluation strategies by social studies teachers in general education with an average of (2.28). The results also showed that ther

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Publication Date
Sun Feb 03 2019
Journal Name
Iraqi Journal Of Physics
Effect of Ag nanoparticles on R6G laser dye hosted by PMMA polymerized by plasma jet
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This work aim to prepare Ag/R6G/PMMA nanocomposite thin
films by In-situ plasma polymerization and study the changes in the
optical properties of fluorophore due to the presence of Ag
nanoparticles structures in the vicinity of the R6G laser dye. The
concentrations of R6G dye/MMA used are: 10-4M solutions were
prepared by dissolving the required quantity of the R6G dye in
MMAMonomer. Then Silver nanoparticles with 50 average particles
size were mixed with MMAmonomer with concentration of 0.3, 0.5,
0.7wt% to get R6G silver/MMA in liquid phase. The films were
deposited on glass substrates by dielectric barrier discharge plasma
jet. The Ag/R6G/PMMA nanocomposite thin films were
characterization by UV-Visible

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Publication Date
Wed May 29 2019
Journal Name
Iraqi Journal Of Physics
The influence of various pH values on the aerogel physical properties by sol-gel technique
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Hydrophobic silica aerogels were successfully preparation by an ambient pressure drying method from sodium silicate (Na2SiO3) with different pH values (5, 6, 7, 8, 9 and 10). In this study, acidic HCl (1M), a basic NH4OH (1M) were selected as a catalyst to perform the surface modification in a TMCS (trimethylchlorosilane) solution. The surface chemical modification of the aerogels was assured by the Fourier transform infrared (FTIR) spectroscopic studies. Other physical properties, such as pore volume and pore size and specific surface area were determined by Brunauer-Emmett- Teller (BET) method. The effect of pH values on the bulk density of aerogel. The sol–gel parameter pH value in the sol, have marked effects on the physical proper

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Publication Date
Sun Jun 30 2024
Journal Name
Wasit Journal For Pure Sciences
Design Polynomial IIR Digital Filters of the Integer Parameters Space Use to Compress Image Data
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Polynomial IIR digital filters play a crucial role in the process of image data compression. The main purpose of designing polynomial IIR digital filters of the integer parameters space and introduce efficient filters to compress image data using a singular value decomposition algorithm. The proposed work is designed to break down the complex topic into bite-sized pieces of image data compression through the lens of compression image data using Infinite Impulse Response Filters. The frequency response of the filters is measured using a real signal with an automated panoramic measuring system developed in the virtual instrument environment. The analysis of the output signal showed that there are no limit cycles with a maximum radius

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Publication Date
Fri Oct 01 2021
Journal Name
Journal Of Medical And Surgical Practice
Incidence of Stenosis in Graft Renal Arteries Anastomosis in Kidney Transplantation Using Two Different Techniques
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Summary Kidney transplantation is widely performed nowadays as an optimal treatment of end stage kidney diseases. Complications such as stenosis in graft renal arteries anastomosis may occur. Different suturing techniques are available for renal artery anastomosis. We aimed to compare the incidence of renal artery stenosis of the transplanted kidney when two suture techniques (continuous or interrupted) used for renal artery anastomosis. Therefore, a retrospectively comparative study was conducted on 44 patients managed with kidney transplantation during the years 2009-2011. Patients assigned into two groups; first group included 20 patients namely, continuous suture group, and the second group included 24 patients in whom the allograft art

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Publication Date
Tue Apr 15 2025
Journal Name
Journal Of Neonatal Surgery
Resveratrol Administration Reverses The Osteoporotic Bone In Independent-Manner Of Ahr-Esr1 Axis In Rats
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The objective  of this work was to analyze the involvement of AhR in bone metabolism using a rat model of experimental osteoporosis and to analyze the mechanisms behind its activity. Rats were assigned randomly to the subsequent groups; Control, received no treatment; ovariectomized (OVX) rats; Sham; Sham+RES received resveratrol; OVX+RES and OVX+CH received AhR’s antagonist, CH223191 (CH); and finally OVX+CHR group received both AhR antagonist along with resveratrol. Resveratrol and AhR antagonist treatment started 7 days after surgery and continued to 45 days. The serum of osteocalcin (OC) and Ca+2  was measured by ELISA and spectrophotometer, respectively. X-ray was used to estimate bone density of rats. In molecular levels,

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Publication Date
Tue Sep 15 2020
Journal Name
Al-academy
Aesthetic Presence Hypothesis of the Role Character in the Actor's Theatrical Performance: يــاسين إسماعيل خلـف
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The current study monitors the mechanisms of formation of the actor's performance expressive system (voice and motion) and the levels of their construction consistent with the aesthetic premise of the theatrical performance through incorporating what is natural, materialistic (physiological) and artistic and philosophical virtual (aesthetic ), through which the creative actor seeks not to repeat the image and substance of a thing according to its natural life image, in favor of new aesthetic reproduction governed by a group of significant relationships formed according to (artistic and philosophical) characteristics and features that distinguish the artistic accomplishment from its reality(its natural and functional reference). According

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Publication Date
Tue Jan 31 2023
Journal Name
Iraqi Geological Journal
Geological Model for Jeribe/Euphrates Formation, Tertiary Reservoir in Qaiyarah Oil Field, North of Iraq
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Visualization of subsurface geology is mainly considered as the framework of the required structure to provide distribution of petrophysical properties. The geological model helps to understand the behavior of the fluid flow in the porous media that is affected by heterogeneity of the reservoir and helps in calculating the initial oil in place as well as selecting accurate new well location. In this study, a geological model is built for Qaiyarah field, tertiary reservoir, relying on well data from 48 wells, including the location of wells, formation tops and contour map. The structural model is constructed for the tertiary reservoir, which is an asymmetrical anticline consisting of two domes separated by a saddle. It is found that

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Publication Date
Thu Dec 01 2011
Journal Name
Journal Of Engineering
ORGANIZATION OF MEMORY CHIPS IN MEMORY SYSTEMS THAT HAVE WORD SIZE WIDER THAN 8-BIT
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This paper presents a method to organize memory chips when they are used to build memory systems that have word size wider than 8-bit. Most memory chips have 8-bit word size. When the memory system has to be built from several memory chips of various sizes, this method gives all possible organizations of these chips in the memory system. This paper also suggests a precise definition of the term “memory bank” that is usually used in memory systems. Finally, an illustrative design problem was taken to illustrate the presented method practically

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