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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
Wed Jan 01 2025
Journal Name
Lecture Notes In Networks And Systems
Comparison Between the Performance of Human Translators and AI-Supported Applications
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This study aims to conduct an exhaustive comparison between the performance of human translators and artificial intelligence-powered machine translation systems, specifically examining the top three systems: Spider-AI, Metacate, and DeepL. A variety of texts from distinct categories were evaluated to gain a profound understanding of the qualitative differences, as well as the strengths and weaknesses, between human and machine translations. The results demonstrated that human translation significantly outperforms machine translation, with larger gaps in literary texts and texts characterized by high linguistic complexity. However, the performance of machine translation systems, particularly DeepL, has improved and in some contexts

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Publication Date
Wed Jul 01 2020
Journal Name
International Journal Of Pharmaceutical Research
Synthesis, Design, Docking and biological activity of new benzo hydrazide derivatives.
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Publication Date
Tue Mar 30 2021
Journal Name
College Of Islamic Sciences
Evidence of news and constructional sentences in the book Forty nuclear
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I have written my most important findings in my research are as follows:

 The book forty nuclear is one of the writings of the nuclear imam "God's mercy" in which he had collected ahaadeeth from several different sections and diverse, has been described by scientists as the orbit of Islam are all valid conversations.

 the duty to pay attention to the Sunnah of the Prophet from the linguistic point of view because it is very rich news and constructional evidence in all sections contained the forty nuclear talks on the news sentences in (30) places divided between the news request, as stated in (13)  

 home and primary news in (14) home and the news denial in (3) c

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Publication Date
Fri May 01 2015
Journal Name
Iraqi Journal Of Biotechnology
Production, Extraction and Purification of Bacillus licheniformis FH4-IRQ Alkaline Phosphatase
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Publication Date
Mon Aug 19 2024
Journal Name
Chalcogenide Letters
Influence of copper on zinc oxide films and solar cell performance
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Copper doped Zinc oxide and (n-ZnO / p-Si and n-ZnO: Cu / p-Si) thin films thru thickness (400±20) nm were deposited by thermal evaporation technique onto two substrates. The influence of different Cu percentages (1%,3% and 5%) on ZnO thin film besides hetero junction (ZnO / Si) characteristics were investigated, with X-ray diffractions examination supports ZnO films were poly crystal then hexagonal structural per crystallite size increase from (22.34 to 28.09) nm with increasing Cu ratio. The optical properties display exceptional optically absorptive for 5% Cu dopant with reduced for optically gaps since 3.1 toward 2.7 eV. Hall Effect measurements presented with all films prepared pure and doped have n-types conductive, with a ma

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Publication Date
Wed Mar 01 2023
Journal Name
Iraqi Journal Of Physics
FTIR and Electrical Behavior of Blend Electrolytes Based on (PVA/PVP)
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Polymer electrolytes were prepared using the solution cast technology. Under some conditions, the electrolyte content of polymers was analyzed in constant percent of PVA/PVP (50:50), ethylene carbonate (EC), and propylene carbonate (PC) (1:1) with different proportions of potassium iodide (KI) (10, 20, 30, 40, 50 wt%) and iodine (I2) = 10 wt% of salt. Fourier Transmission Infrared (FTIR) studies confirmed the complex formation of polymer blends. Electrical conductivity was calculated with an impedance analyzer in the frequency range 50 Hz–1MHz and in the temperature range 293–343 K. The highest electrical conductivity value of 5.3 × 10-3 (S/cm) was observed for electrolytes with 50 wt% KI concentration at room

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Publication Date
Thu Sep 01 2022
Journal Name
Iraqi Journal Of Physics
Structural and Morphological Characterization of MEH-PPV Nanocomposite Doped with FeCl3
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Poly [2-methoxy-5-(2-ethylhexyloxy)-1, 4-phenylenevinyl] (MEH-PPV) thin films were created in this study using both spin coating and drop casting processes. MEH-PPV thin films generated by Ferric Chloride (FeCl3) doping (0.03, 0.06, 0.09, and 0.12 wt%) were studied for some physical features using Fourier-Transform Infrared Spectroscopy (FTIR), Field Emission Scanning Electron Microscopy (FE-SEM), and Energy Dispersive X-ray Spectroscopy (EDX). An FTIR test showed that there was no chemical reaction that occurred between Ferric Chloride (FeCl3) and MEH-PPV, but rather a physical one, that is, an organic material composite occurred. As for FE-SEM, the pure sample MEH-PPV formed uniformly, but when FeCl3 was added by weight, we have differ

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Publication Date
Wed Mar 30 2011
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
REUSE OF DOMESTIC WASTEWATER FOR IRRIGATION: CONCEPTUAL AND BASIC DESIGN ELEMENTS
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In Iraq, water shortages and drought, especially during the hot summer months, necessitates that municipal authorities adopt water reuse projects like reusing treated domestic wastewater for crop irrigation. This work gives the conceptual and basic design elements for the necessary steps of filtration, UV irradiation and chlorination to make such a wastewater fit for agricultural use. A typical rural community of 50,000 people is considered as an example case for which functionality and relative simplicity of the proposed designs are prime factors. The objectives are 1) to show what is required and 2) that the presented information may be utilized to embark on the following phases of detailed design and execution of such projects.

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Publication Date
Sun Mar 01 2009
Journal Name
Journal Of Economics And Administrative Sciences
Simulation of five methods for parameter estimation and functionExponential distribution reliability
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The estimation process is one of the pillars of the statistical inference process as well as the hypothesis test, and the assessment is based on the collection of information and conclusions about the teacher or the community's teachers on the basis of the result
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Publication Date
Thu Feb 06 2020
Journal Name
Political Sciences Journal
The effect of the media in forming knowledge and political awareness
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Abstract The dissemination of knowledge is no longer confined to schools and universities, not even books. For nearly two centuries, the media have become prominent in disseminating knowledge and culture, in its public and particularly political aspects. After the development of the media from newspapers and magazines to the visual media, their role has increased from the dissemination of abstract information and abstract knowledge towards the process of forming new knowledge through what it publishes and broadcasts from different programs such as drama, news and talk shows. The impact of the media has changed the overall community awareness. Half a century ago the media was not so powerful and widespread. The evolution of the 1990s made

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