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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
Wed Jan 01 2020
Journal Name
International Journal Of Chemtech Research
Biological Assessment, Heamatological Study, and Environmental Detection of Eugenol
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Eugenol is found in essential oils of many plants. It belongs to a class of naturally occurring phenolic monoterpenoids, chemically it is an allyl chain-substituted guaiacol. A study was conducted on the compound of Eugenol, which included different studies. The first study was the determination of eugenol in body fluid, which includes serum, saliva and urine has been found the highest concentration was in urine then serum and saliva. The second study was the hematological study. Complete blood count was accomplished on the volunteers alredy administrated with eugenol contained mouthwash the analysis was accomplished before and after the mouth wash use. The result observed a slightly negative results and was not that significant, wh

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Publication Date
Sun Sep 06 2009
Journal Name
Baghdad Science Journal
Study and Analysis the Mathematical Operations of Fuzzy Logic
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The last decade of this 20th century provides a wide spread of applications of one of the computer techniques, which is called Fuzzy Logic. This technique depends mainly on the fuzzy set theory, which is considered as a general domain with respect to the conventional set theory. This paper presents in initiative the fuzzy sets theory and fuzzy logic as a complete mathematics system. Here it was explained the concept of fuzzy set and defined the operations of fuzzy logic. It contains eleven operations beside the other operations which related to fuzzy algebra. Such search is considered as an enhancement for supporting the others waiting search activities in this field.

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Publication Date
Fri Sep 15 2017
Journal Name
Journal Of Baghdad College Of Dentistry
Validity of Digital and Rapid Prototyped Orthodontic Study Models
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Background: The integration of modern computer-aided design and manufacturing technologies in diagnosis, treatment planning, and appliance construction is changing the way in which orthodontic treatment is provided to patients. The aim of this study is to assess the validity of digital and rapid prototyped orthodontic study models as compared to their original stone models. Materials and methods: The sample of the study consisted of 30 study models with well-aligned, Angle Class I malocclusion. The models were digitized with desktop scanner to create digital models. Digital files were then converted to plastic physical casts using prototyping machine, which utilizes the fused deposition modeling technology. Polylactic acid polymer was chose

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Publication Date
Tue May 23 2023
Journal Name
Journal Of Engineering
EXPERIMENTAL AND THEORETICAL STUDY OF TWO-PHASE HEAT PIPE
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In this study, thermal characteristics of a two-phase closed heat pipe were investigated experimentally and theoretically. A two-phase closed heat pipe (copper container, Fluorocarbon FC-72 (C6F14) working fluid) was fabricated to examine its performance under the effect of input heat flux range of 250–1253 W/m2 , 70% fill charge ratio and various tilt angles. The temperature distribution along the heat pipe, input heat to evaporator section, and output heat from condenser were monitored. A comprehensive mathematical model was developed to investigate the steadystate heat transfer performance of a two-phase closed heat pipe. A steady state analytical model, is presented to determine important parameters on the design of two-phase close

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Publication Date
Fri Mar 01 2019
Journal Name
Al-khwarizmi Engineering Journal
Comparison Study of Electromyography Using Wavelet and Neural Network
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In this paper we present a method to analyze five types with fifteen wavelet families for eighteen different EMG signals. A comparison study is also given to show performance of various families after modifying the results with back propagation Neural Network. This is actually will help the researchers with the first step of EMG analysis. Huge sets of results (more than 100 sets) are proposed and then classified to be discussed and reach the final.

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Publication Date
Tue Sep 01 2020
Journal Name
Journal Of Coloproctology
Epidemiological and prognostic single center study of anal carcinoma
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Abstract<p> Background Anorectal carcinoma includes the anal margin, the anal canal, and the lower rectum. The incidences of anal tumors represent 1.4 % of all gastrointestinal tumors.</p><p> Patients and methods Our study is retrospective and was conducted at Baghdad Medical City. Patient’s data were collected from the medical records through a predesigned sheet that included the following information: demographic data, medical history, past-history, presenting symptoms, pathological data, and treatment details.</p><p> Results The median age was 49 years. As regard tumor extension, 85.71 % of patients had anal disease, while anorectal cancer was encount</p> ... Show More
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Publication Date
Mon Jan 01 2024
Journal Name
Journal Of Clinical And Experimental Dentistry
Eradication of mature biofilm from the isthmus region using Er, Cr: YSGG Laser as an activator of 2% chlorhexidine gluconate
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Publication Date
Thu Jun 30 2022
Journal Name
Pakistan Journal Of Medical & Health Sciences
Protecting Oil Flowlines from Corrosion Using 5-ACETYL-2-ANILINO-4-DIMETHYLAMINOTHIAZOLE
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Oil flow lines are used to transport oil and its derivatives from a well over long distances, and because oil wells produce other potentially corrosive products, such as carbon dioxide and Hydrogen sulfide, it is necessary to take methods to protect the pipeline from corrosion. One of these methods is the use of corrosion inhibitors in this study. Prepare 5-acetyl-2-anilino-4-dimethylaminothiazole and test it as a corrosion inhibitor on a sample of the Rumaila flow line at a constant temperature 25°C in (3.5%) NaCl and (3.5%) KCl solution in the absence and presence of different concentrations of inhibitor (0 mM, 0.01 mM, 0.03 M, 0.05 mM). by using liner polarization (Tafel slope). The inhibiter exhibited the best performance at hi

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Publication Date
Wed Jul 01 2015
Journal Name
The Sai 2015
An optimal defuzzification method for interval type-2 fuzzy logic control scheme
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Publication Date
Sun Jan 01 2006
Journal Name
Acta Crystallographica Section E
(OC-6-32)-Bis[5-bromo-2-(4-bromophenyldiazenyl) phenyl]dicarbonylruthenium(II)
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The title compound, [Ru(C12H7Br2N2)2(CO)2], possesses a distorted octahedral environment about the Ru atom, with two cyclometallated 4,40-dibromoazobenzene ligands and two mutually cis carbonyl ligands. The donor atoms are arranged such that the N atoms are respectively trans to a carbonyl ligand and an aryl C atom. Comment The title compound, (I), has been prepared as a minor product of the reaction of Ru3(CO)12 and 4,40-dibromoazobenzene in refluxing n-octane; the major product is the cluster complex Ru3(3-NC6H4Br)2(CO)9 (Willis et al., 2005). Two strong (CO) absorptions at 2039 and 1991 cm1 in the IR spectrum of (I) are consistent with the presence of two mutually cis carbonyl groups. The crystal structure was investigated to ascertai

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