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Hydrodesulfurization of Thiophene over $γ$-Mo2N catalyst
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Catalytic removal of the S-content from thiophene is a central step in efforts aiming to reduce the environmental burdens of transportation fuels. In this contribution, we investigate the hydrodesulfurization (HDS) mechanisms of thiophene (C4H4S) over γ-Mo2N catalyst by means of density functional theory (DFT) calculations. The thiophene molecule preferentially adsorbs in a flat mode over 3-fold fcc nitrogen hollow sites. The HDS mechanism may potentially proceed either unimolecularly (direct desulfurization) or via H-assisted reactions (hydrogenation). Due to a sizable activation barrier required for the first Csingle bondS bond scission of 54.6 kcal/mol, we predict that the direct desulfurization to contribute rather very insignificantly in the HDS mechanism. Transfer of adsorbed hydrogen atoms on the γ-Mo2N surface to the thiophene ring substantially reduces activation barrier required in the Csingle bondS bond scission to only 24.1 kcal/mol in a process that affords an adsorbed C4H6* species and an S atom. Further hydrogenation of the unsaturated C4H6* produces 2-butene. Kinetics and thermodynamics attributes dictate the occurrence of partial rather than full hydrogenation of C4H6*. Calculated rate constants for all individual steps could be utilized to construct a robust kinetic model for the overall HDS process. Estimated conversion values of thiophene predict 50–70% consumption of thiophene at 700 K and low values of gas hourly space velocities. Reaction routes and kinetic parameters provided herein are useful to design stand-alone γ-Mo2N-based catalysts for applications entailing partial hydrogenation and hydrodesulfurization of severely contaminated S-fuels.

Publication Date
Mon Oct 17 2016
Journal Name
Proceedings Of The Institution Of Mechanical Engineers, Part B: Journal Of Engineering Manufacture
Development and control of shaped metal deposition process using tungsten inert gas arc heat source in additive layered manufacturing
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Tungsten inert gas arc welding–based shaped metal deposition is a novel additive manufacturing technology which can be used for fabricating solid dense parts by melting a cold wire on a substrate in a layer-by-layer manner via continuous DC arc heat. The shaped metal deposition method would be an alternative way to traditional manufacturing methods, especially for complex featured and large-scale solid parts manufacturing, and it is particularly used for aerospace structural components, manufacturing, and repairing of die/molds and middle-sized dense parts. This article presents the designing, constructing, and controlling of an additive manufacturing system using tungsten inert gas plus wire–based shaped metal deposition metho

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Publication Date
Sun Feb 28 2021
Journal Name
Journal Of Economics And Administrative Sciences
The impact of financial development on economic growth in Iraq for the period (2004-2018):An Analytical Econometric Study
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            The objective of this study is to measure the impact of financial development on economic growth in Iraq over the period (2004-2018) by applying a fully corrected square model (FMOLS) Whereas, a set of variables represented by (credit-to-private ratio of GDP, the ratio of money supply in the broad sense of GDP, percentage of bank deposits from GDP) were chosen as indicators for measuring financial development and GDP to measure economic growth.

Major tests have been carried out, such as the stability test (Unite Root Test), the integration test (Cointegration). Results of the study showed that there

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Publication Date
Wed May 31 2023
Journal Name
Iraqi Geological Journal
Studying the Effect of Permeability Prediction on Reservoir History Matching by Using Artificial Intelligence and Flow Zone Indicator Methods
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The map of permeability distribution in the reservoirs is considered one of the most essential steps of the geologic model building due to its governing the fluid flow through the reservoir which makes it the most influential parameter on the history matching than other parameters. For that, it is the most petrophysical properties that are tuned during the history matching. Unfortunately, the prediction of the relationship between static petrophysics (porosity) and dynamic petrophysics (permeability) from conventional wells logs has a sophisticated problem to solve by conventional statistical methods for heterogeneous formations. For that, this paper examines the ability and performance of the artificial intelligence method in perme

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Publication Date
Wed Mar 01 2023
Journal Name
Journal Of Medicinal And Chemical Sciences
The Role of Monoamine Oxidase and Atherogenic Index in Newly Diagnosed and Tamoxifen Treated Women with Breast Cancer Disease
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Breast cancer (BC) is one of the most frequently observed malignancy in females worldwide. Today, tamoxifen (TAM) is considered as the highly effective therapy for treatment of breast tumors. Oxidative stress has implicated strongly in the pathophysiology of malignancies. This study aimed to investigate the changes in the levels of oxidants and antioxidants in patients with newly diagnosed and TAM-treated BC. Sixty newly diagnosed and 60 TAM-treated women with BC and 50 healthy volunteers were included in this study. Parameters including total oxidant capacity (TOC), total antioxidant capacity (TAC), and catalase (CAT) activity were determined before and after treatment with TAM. The serum levels of TOC and oxidative stress index (OSI) were

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Publication Date
Tue Jun 09 2026
Journal Name
Optical Review
Preparation and characterization of ZnO: Ga2O3 thin film via pulsed laser deposition for NO2 and H2S gas sensing application
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In this study, thin film of pure zinc oxide (ZnO) and ZnO doped with Ga2O3 films with different concentrations (0, 0.03, 0.05, 0.07 and 0.09)wt% were prepared by pulsed laser deposition. The powder mixture was then sintered in a furnace at 1273 K for 5 h. The resulting powders were thoroughly ground and then pressed using a special press to form discs with a diameter of 1 cm and a thickness of 0.5 cm. The deposition was carried out under a vacuum of 2.5×10−2 mbar on various substrates, including glass for AFM measurements and n-type crystalline silicon wafers for the gas sensor. AFM results revealed a progressive increase in both grain size and roughness with moderate doping and irregularity at high doping levels. Gas-sensing meas

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Publication Date
Fri Feb 01 2019
Journal Name
Journal Of Physics: Conference Series
Manufacturing and studying the effect of partial substitution on the properties of the compound Bi<sub>2-x</sub> Ag<sub>x</sub>Sr<sub>1.9</sub>Ba<sub>0.1</sub>Ca<sub>2</sub>Cu<sub>3</sub>O<sub>10+δ</sub> superconductors.
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Publication Date
Mon Apr 17 2017
Journal Name
Iraqi Journal Of Market Research And Consumer Protection
10.28936 STUDY OF THE KINETIC AND ADSORPTION ISOTHERM PARAMETERS FOR REMOVING COPPER AND IRON IONS FROM AQUEOUS SOLUTIONS BY USING AGRICALTURAL BY-PRODUCTS.: STUDY OF THE KINETIC AND ADSORPTION ISOTHERM PARAMETERS FOR REMOVING COPPER AND IRON IONS FROM AQUEOUS SOLUTIONS BY USING AGRICALTURAL BY-PRODUCTS.
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Wheat straw was modified with malonic acid in order to get low cost adsorbent have a good ability to remove copper and ferric ions from aqueous solutions, chemical modification temperature was 120°C and the time was 12 h. Parameters that affect the adsorption experiments were studied and found the optimum pH were 6 and 5 for copper and iron respectively and the time interval was 120 min and the adsorbent mass was 0.1 g. The values for adsorption isotherms parameters were determined according to Langmuir [qmax were 54.64 and 61.7 mg/g while b values were 0.234 and 0.22 mg/l] , Freundlich [Kf were 16.07 and 18.89 mg/g and n were 2.77 and 3.16], Temkin [B were 0.063 and 0.074 j/mol and At were 0.143 and 1.658 l/g] and for Dubinin-Radushkev

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Publication Date
Mon Jul 27 2026
Journal Name
Journal Of Baghdad College Of Dentistry
Shear bond strength of endodontic sealers to dentin with and without smear layer and gutta percha (An in vitro study)
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Background: The bond strength of root canal sealers to dentin and gutta-percha seems to be an important property for maintaining the stability of root canal filling, which potentially influences both leakage and root strength. The objective of this, in vitro, study was to evaluate the shear bond strength of three different endodontic sealers (Gutta-Flow, AH Plus, Apexit Plus) to dentin, in the presence and absence of the smear layer and gutta percha. Material and Methods: After slicing off the occlusal 2mm of 60 extracted human maxillary premolar teeth, the exposed dentin served as the tested surfaces; the teeth were fixed with cold cure acrylic, and were divided into two groups according to the smear layer presence, group A without smear

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Publication Date
Thu Nov 01 2012
Journal Name
Journal Of Cosmetics, Dermatological Sciences And Applications
Treatment of Acne Vulgaris with 5-Alpha Avocuta Cream 2% in Comparison with Tretinion Cream 0.025%(Single Blind Comparative Study)
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KE Sharquie, HR Al-Hamamy, AA Noaimi, AF Tahir, Journal of Cosmetics, Dermatological Sciences and Applications, 2012 - Cited by 2

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Publication Date
Sun Jul 02 2017
Journal Name
Journal Of Educational And Psychological Researches
The Effectiveness of Employing Microteaching in Acquiring Teaching Skills for Students Teaching The Basic Stage in Al-Aqsa University- Gaza
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The study aims to identify the effectiveness of employing microteaching in acquiring teaching skills of students teaching basic stage in Al-Aqsa University. The two researchers used the experimental method and a quota sample consisted of a group of (80) students who were distributed on the university two branches in Gaza and Khan younis and on males and females equally, and on four teaching courses counted (20) students for each. The study tool represented in an observation card ,and the results showed statistically significant differences between the level of all the skills of teaching and between the standard rate (75%) in favor of teaching skills, also showed statistically significant differences attributed to the variable of the univ

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