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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
Sat Sep 01 2018
Journal Name
2018 11th International Conference On Developments In Esystems Engineering (dese)
Sustainability Analysis and Shear Capacity of BubbleDeck Slabs with Openings
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Publication Date
Sat Mar 29 2025
Journal Name
Jurnal Hama Dan Penyakit Tumbuhan Tropika
Detection and biocontrol of Tobamovirus tabaci infecting tomato in Iraq
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The antiviral activity of leaf extracts from Datura stramonium and tomato plants inoculated with TMV, combined with 20% skimmed milk, was investigated. A TMV isolate was confirmed using bioassay, serological, and molecular approaches and subsequently used to inoculate plants. Tomato plants, both pre- and post-inoculated with TMV, were sprayed with leaf extracts from either TMV-free or infected plants, alone or mixed with 20% skimmed milk. Enzyme-linked immunosorbent assay (ELISA) using tobamovirus-specific antibodies and local lesion tests were conducted to assess antiviral activity based on virus concentration and infectivity in treated plants. The experiment followed a completely randomized design (CRD), and the Least Significant

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Publication Date
Mon Feb 04 2019
Journal Name
Journal Of The College Of Education For Women
The archaeological and religious sites on the city of Babylon
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The archaeological and religious sites play a prominent role in the rest of the other tourist activities as cultural and spiritual needs that can not be dispensed with. Archaeological sites represent cultural origins of the nation. Religious sites represent the state of man's orientation to God in places of worship . The focus was on the city of Babylon because it is an ancient city and tourist because of its characteristics and elements. The importance of the city of Babylon is illustrated by highlighting its archeological and religious status through its geographical distribution. This gives the subject special importance for the purpose of knowing the city's important sites. And come out with a number of results and a set of recommend

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Publication Date
Wed Mar 15 2023
Journal Name
Al-academy
Scenography and the effectiveness of meaning in the theatrical space
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The elements of theater formation that fall within the spatial experience of the scenography of the show, which the directors work in in the imaginary theater, are important and have an aesthetic, intellectual and cognitive dimension, working to highlight reality in an aesthetic image surrounding space and space. And its relationship to the distinct, multiple and variable spaces above the stage, to produce theatrical signals and endless meanings through the possibility of infinite reconfiguration of the theater's space and its public and private space through the distribution of a group of blocks within the scenic image.
I dealt with in the first chapter (the methodological framework), which includes the research problem identified

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Publication Date
Wed Mar 15 2023
Journal Name
Bionatura
Effect of traditional and automated sorting on some tomato's properties
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This study was conducted in a laboratory experiment at the University of Baghdad, College of Science, computing Department, 5 km from the center of Baghdad city, in 2021 to evaluate the sorting method for the tomato crop. The experiments were conducted in a factorial experiment under a complete randomized design with three replications and using SAS analysis, artificial neural network, image processing, the study of external characteristics, and physical features; fruit surface area and fruit circumference were 1334.46 cm2,57.53 cm2 and free diseases. The error value was less than zero, while training with outputs recorded the highest value and which was 5. The neural network's performance between the input and the mean square of th

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Publication Date
Sun Jun 12 2011
Journal Name
Baghdad Science Journal
Electrical behavior and Optical Properties of Copper oxide thin Films
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In this work the structural, electrical and optical Properties of CuO semiconductor films had been studied, which prepared at three thickness (100, 200 and 500 nm) by spray pyrolysis method at 573K substrate temperatures on glass substrates from 0.2M CuCl2•2H2O dissolved in alcohol. Structural Properties shows that the films have only a polycrystalline CuO phase with preferential orientation in the (111) direction, the dc conductivity shows that all films have two activation energies, Ea1 (0.45-0.66 eV) and Ea2 (0.055-.0185 eV), CuO films have CBH (Correlated Barrier Hopping) mechanism for ac-conductivity. The energy gap between (1.5-1.85 eV).

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Publication Date
Thu Jan 01 2015
Journal Name
International Journal Of Science And Research
Synthesis and Spectroscopic Characterization of some Mixed Schiff Base Complexes
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Publication Date
Wed Dec 11 2019
Journal Name
Journal Of The College Of Education For Women
Evaluation of Raw and Drinking Water for Diyala Governorate (2017)
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The study examined the assessment of raw water and drinking water projects of  Diyala Governorate for the year 2017, amounting to (24) projects, The average per capita supply of potable water (0.396 m3 / day/person), which is less than the global standard for the average per capita of drinking water, and constitute water rumors within the network of water transport in the province (3%), and the water of raw and drinking value within the limits allowed to be used by Iraq and the global indicators of {Total acidity, alkaline, acidic function, chlorides, magnesium, Electrical conductivity, total soluble salts, sodium, potassium, sulfates, turbidity other than (raw water)}. While the index of calcium only a value higher than the limits

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Publication Date
Mon May 31 2021
Journal Name
Modern Perspectives In Language, Literature And Education Vol. 4
Pragmatics of Humor in Operah Winfrey and Piers Morgan Shows
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Publication Date
Sun Mar 03 2013
Journal Name
Baghdad Science Journal
Antibacterial and Wound Healing Activity of Some Agrimonia eupatoria Extracts.
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The antibacterial activity of some extracts of A. eupatoria (aqueous and ethanolic) against some pathogenic bacteria (Staphylococcus aureus, Pseudomonas aeruginosa and Escherichia coli ) and their activity on wound healing in rats , also the presence of some active compounds in both extracts were detected . The results showed that the ethanolic extract was more effective on inhibiting tested bacteria than the aqueous extract . P.aeruginosa was the most resistant bacteria, while highest inhibition zone appeared on E.coli (20 mm) .There was a moderate activity against S.aureus with inhibition zone 15 mm. by using ethanolic extract (10 mg/ml) . The phytochemical analysis for detection of active compounds revealed the presence of Carbohydrate

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