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Hydrogenation of pyridine and hydrogenolysis of piperidine over <i>γ-</i>Mo<sub>2</sub>N 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.

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Publication Date
Tue Dec 01 2009
Journal Name
Bulletin Of The Iraq Natural History Museum (p-issn: 1017-8678 , E-issn: 2311-9799)
DISTINCTION BETWEEN TWO SPECIES OF THE GENUS EXOCHOMUS REDTENB. (COLEOPTERA : COCCINELLIDAE) IN IRAQ
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The present paper attempts to establish a distinction between Exochomus negripennis (Er.) and E. quadripustulatus L., depending on the characters of femoral line, male genitalia and spermatheca.

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Publication Date
Sat Jul 30 2022
Journal Name
Gsc Biological And Pharmaceutical Sciences
Review of the freshwater snail Melanoides tuberculata (O. F. Müller, 1774) (Gastropoda, Thiaridae)
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Melanoides tuberculata (O. F. Müller, 1774), a freshwater snail native to eastern Mediterranean, eastern Africa, southeast Asia, southern Asia, India, and Malaysia, it is an effective invader and is now nearly globally distributed. This snail has been studied with interest because of its rapidly distributed, and because of being can serve as compatible intermediate host for many of trematodes in the world. We have summarized information from many articles in order to highlight the most important aspects of this invader snail life.

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Publication Date
Tue Dec 31 2019
Journal Name
Opcion
Analysis of Computer Textbook for the Second Intermediate Grade According to Digital Citizenship
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The research aims to build a list of digital citizenship axes and standards and indicators emanating from them, which should be included in the content of the computer textbook scheduled for second grade intermediate students in Iraq, and the analysis of the above mentioned book according to the same list using the descriptive analytical method ((method of content analysis)). The research community and its sample consisted of the content of the computer textbook scheduled for the second year intermediate students for the academic year 2018-2019, and the research tool was built in its initial form after reference to a set of specialized literature and previous studies that dealt with topics related to digital citizenship, and the authenticit

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Publication Date
Wed Oct 11 2023
Journal Name
Journal Of Educational And Psychological Researches
Linguistic Competencies Required for Teachers of the Arabic Language for the Preparatory Stage
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The current research aims to determine the necessary linguistic competencies for Arabic language teachers of the preparatory stage (fourth grade preparatory), which were five main competencies: Arabic grammar competencies, literary competencies, cultural competencies, rhetorical competencies, and expression competencies. To achieve the objective of the research, the researcher developed a questionnaire as the main tool for collecting data based on literature, it consists of (28) items including the five main competencies. The questionnaire was administered to (60) male and female teachers at Al-Karkh's first Education Directorate in the city of Baghdad. The findings of the research indicated that Arabic language proficiency got the highe

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Publication Date
Wed Sep 30 2015
Journal Name
College Of Islamic Sciences
Photo citation request in examples   Of ascetic poetry in the first Abbasid era
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Photo citation request in examples   Of ascetic poetry in the first Abbasid era

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Publication Date
Sun Sep 01 2019
Journal Name
Indian Journal Of Public Health Research & Development
Effect of Thyroid Hormone Abnormalities on Hemoglobin A1c in Hemodialysis Patients Taking Erythropoietin
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Background: Hemoglobin A1c (HbA1c) is a widely used test for glycemic control. It is done for chronic kidney disease (CKD) patients. Renal disease is accompanied by thyroid abnormalities, which affect HbA1c, especially in those taking erythropoiesis-stimulating agents (ESAs). We aimed to find the effect of thyroid dysfunction on HbA1c in hemodialysis patients taking ESAs and those who do not. Materials and Method: Fifty six patients were included in this study, which was done between September 2017 and June 2018, in Baghdad Teaching Hospital. Thyroid stimulating hormone, free T3, free T4 and HbA1c measurements were done. The patients were divided into 2 groups; those who took ESAs and those who did not, then they were subdivided into those

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Publication Date
Sat Jan 01 2022
Journal Name
Geotechnical Engineering And Sustainable Construction
Numerical Modeling of Under Reamed Piles Behavior Under Dynamic Loading in Sandy Soil
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Under-reamed piles defined by having one or more bulbs have the potential for sizeable major sides over conventional straight-sided piles, most of the studies on under-reamed piles have been conducted on the experimental side, while theoretical studies, such as the finite element method, have been mainly confined to conventional straight-sided piles. On the other hand, although several laboratory and experimental studies have been conducted to study the behavior of under-reamed piles, few numer­ical studies have been carried out to simulate the piles' performance. In addition, there is no research to compare and evaluate the behavior of these piles under dynamic loading. Therefore, this study aimed to numerically investigate bearing capaci

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Publication Date
Wed Dec 01 2010
Journal Name
Al-khwarizmi Engineering Journal
The Biosorption of Cr (VI) From Aqueous Solution Using Date Palm Fibers (Leef)
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The ability of Cr (VI) removal from aqueous solution using date palm fibers (leef) was investigated .The effects of pH, contact time, sorbets concentration and initial  metal ions concentration on the biosorption were investigated.

The residual concentration of Cr (VI) in solution was determined colorimetrically using spectrophotometer at wave length 540 nm .The biosorption was pH-dependent, the optimum pH was 7 and adsorption isotherms obtained fitted well with Langmuir isotherms .The Langmuir equation obtained was Ce/Cs = 79.99 Ce-77.39, the correlation factor was 0.908.These results indicate that date palm fibers (leef) has a potential effect for the uptake of Cr (VI) from industrial waste water.

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Publication Date
Mon Mar 01 2021
Journal Name
Al-khwarizmi Engineering Journal
Adsorption of Indigo Carmen Dye by Using Corn Leaves as Natural Adsorbent Material
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In this paper, the ability of using corn leaves as low-cost natural biowaste adsorbent material for the removal of Indigo Carmen (IC) dye was studied. Batch mode system was used to study several parameters such as, contact time (4 days), concentration of dye (10-50) ppm, adsorbent dosage (0.05-0.25) gram, pH (2-12) and temperature (30-60) oC. The corn leaf was characterized by Fourier-transform infrared spectroscopy device before and after the adsorption process of the IC dye and scanning electron microscope device was used to find the morphology of the adsorbent material. The experimental data was imputing with several isotherms where it fits with Freundlich (R2 = 0.9

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Publication Date
Sat Dec 14 2019
Journal Name
International Journal On Emerging Technologies
Utilizing an Artificial Neural Network Model to Predict Bearing Capacity of Stone Columns
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ABSTRACT: Ultimate bearing capacity of soft ground reinforced with stone column was recently predicted using various artificial intelligence technologies such as artificial neural network because of all the advantages that they can offer in minimizing time, effort and cost. As well as, most of applied theories or predicted formulas deduced analytically from previous studies were feasible only for a particular testing environment and do not match other field or laboratory datasets. However, the performance of such techniques depends largely on input parameters that really affect the target output and missing of any parameter can lead to inaccurate results and give a false indicator. In the current study, data were collected from previous rel

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