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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
Sun Feb 10 2019
Journal Name
Journal Of The College Of Education For Women
The face of the pressures of life styles to Riyadh parameters and the relationship with some variables
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I noticed a researcher while working in the kindergarten that there is a group of
parameters resort to the use of different methods may be some undesirable and some
undesirable So felt researcher detection methods used parameters Riyadh in the face of the
pressures of life, being engaged in kindergarten eligibility, governmental or being married or
unmarried, as well as educational attainment for this parameter.
To achieve the objectives of the research: -
The researcher prepare a scale methods face the pressures of life of the parameters
have been confirmed the veracity of the paragraphs of the scale of the presentation to a group
of experts in this area, and extracted power discriminatory clauses scale and extra

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Publication Date
Mon May 27 2019
Journal Name
Al-academy
The Use of Elements of Film Expression and their Role in Narrative Transitions: محمد أكرم عبد الجليل
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Many studies and researches related to the audio and visual medium have shed light on the creative process that has taken place through them as well as the aesthetic and artistic creation and have dealt with many fields of knowledge and creativity in this field of art, which managed to study and follow its intellectual and technical tools for creating achievements through this medium, in its forefront come the elements of the cinematic language, which is characterized by possessing multiple features of aesthetic and semantic employment to reach the recipient as it is a tool of the artistic expression that gives the material it deals with aesthetic and intellectual dimensions from various aspects. "The artistic expression cannot be achiev

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Publication Date
Wed May 01 2019
Journal Name
Thin Solid Films
Studies of annealing impact on the morphological, opto-dielectric and mechanical behaviors of molybdenum-doped CrN coatings
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Publication Date
Sun Jan 01 2023
Journal Name
Journal Of Engineering
The Effects of Different Water Types on the Dissolution, Physical Appearance, and Compressive Strength of Gypsum Rock
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Dissolution of gypsum rock in water is significant, which may result in hydrocarbon reservoir formation and evaporate deposits. However, the complexity of the gypsum dissolution process is still of interest because of its uncleanness that requires more critical analysis. The objectives of this experimental study are emphasis on the dissolution characteristics of gypsum rock under room temperature and by various types of water; namely: deionized, tap, fresh, acidic, well, and normal rainwatre. In addition, the influences of dissolution on gypsum rock's mechanical and physical characteristics. Gypsum rock was obtained from Agjalar area, in the southwest of Sulaymaniyah city, Northern Iraq. Experimental results show that we

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Publication Date
Fri Jul 01 2016
Journal Name
Journal Of Engineering And Sustainable Development
EVALUATION OF MECHANICAL PROPERTIES OF HIGH PERFORMANCE SELF-CONSOLIDATED CONCRETE ENHANCED BY DISCRETE STEEL AND POLYPROPYLENE FIBERS
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High performance self-consolidating concrete HP-SCC is one of the most complex types of concrete which have the capacity to consolidated under its own weight, have excellent homogeneity and high durability. This study aims to focus on the possibility of using industrial by-products like Silica fumes SF in the preparation of HP-SCC enhanced with discrete steel fibers (DSF) and monofilament polypropylene fibers (PPF). From experimental results, it was found that using DSF with volume fraction of 0.50 %; a highly improvements were gained in the mechanical properties of HP-SCC. The compressive strength, splitting tensile strength, flexural strength and elastic modulus improved about 65.7 %, 70.5 %, 41.7 % and 80.3 % at 28 days age, respectively

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Publication Date
Wed Jan 01 2025
Journal Name
Agricultural Engineering
The Effect of Design and the Accelerated Wear Test of Agricultural Nozzles on the Resulting Droplet Size
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Abstract<p>The change in the size of the droplets during the pesticide application process could have a negative impact on the percentage of drift or the losses of pesticides to the environment. One of the factors that could affect the droplet size produced from a single nozzle is the internal design of the nozzle itself, in addition to the wear of the nozzle orifice as a result of the usage time. In this research, three types of nozzles with different internal designs were used (Turbo TeeJet (TT), Turbo TwinJet (TTj 6011003), and Drift Guard (DG 11003)). The nozzles were subjected to an accelerated wear test for one hundred hours, and different droplet size parameters (Dv 0.1, Dv 0.5, Dv 0.9), </p> ... Show More
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Publication Date
Tue Jan 01 2019
Journal Name
Biochem. Cell. Arch.
Effect of essential oil extracted from the peels of Citrus paradisi and Citrus sinensis on some fungi
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This study examined the effect of essential oils extracted from peel of Citrus paradisi and Citrus sinensis on two species of fungi: Penicillium oxalicum and Fusarium oxysporum as well as effect of two fungicides: Carbendazim and Thiophanatemethyl against above fungi. Results showed that the essential oil of Citrus paradisi inhibited the radial growth of Penicillium oxalicum and Fusarium oxysporum at concentration 4%. Nevertheless, the essential oil of Citrus sinensis inhibited the radial growth at concentration 5 and 4%, respectively. Furthermore, the two studied fungicides inhibited radial growth of these fungi too. Therefore, there are a positive relationship between the evaluating of concentration and the percentage of inhibiting of rad

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Publication Date
Fri Sep 29 2023
Journal Name
Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)
Evaluation of The Effect of Fisetin against Cyclophosphamide-Induced Myelosuppression and Oxidative Stress in Male Albino Rats
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Myelosuppression is a serious disease that is related to the malfunction of blood cells production that leads to cytopenia which is the most serious hematologic toxicity of cancer chemotherapies including cyclophosphamide, which is a strong oxazaphosphorine [a nitrogen mustard alkylating agent] that can be used alone or combined with other chemotherapeutic agents for the treatment of different malignant diseases. It induces severe bone marrow suppression by damaging hematopoietic stem cells through the generation of oxidative stress. Fisetin is a hydrophobic polyphenolic compound with a wide range of pharmacological properties such as antioxidant, anti-inflammatory, antimicrobial, osteoprotective, antidiabetic, and anti-carcinogenic

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Publication Date
Mon Oct 01 2018
Journal Name
Ceramics International
Influence of DC magnetron sputtering reaction gas on structural and optical characteristics of Ce-oxide thin films
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The influence of the reaction gas composition during the DC magnetron sputtering process on the structural, chemical and optical properties of Ce-oxide thin films was investigated. X-ray diffraction (XRD) studies confirmed that all thin films exhibited a polycrystalline character with cubic fluorite structure for cerium dioxide. X-ray photoelectron spectroscopy (XPS) analyses revealed that cerium is present in two oxidation states, namely as CeO2 and Ce2O3, at the surface of the films prepared at oxygen/argon flow ratios between 0% and 7%, whereas the films are completely oxidized into CeO2 as the aforementioned ratio increases beyond 14%. Various optical parameters for the thin films (including an optical band gap in the range of 2.25–3.

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Publication Date
Fri Nov 08 2019
Journal Name
Biochem. Cell. Arch.
EFFECT OF EARLY EXPOSURE TO HEAT AND ADDITION OF GINSENG EXTRACT ON PRODUCTION TRAITS IN BROILER CHICKS
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The current study was conducted on 504(Ros-308) broiler chicks during the period 28/9/2017-9/11/2018to determine the effect of heat shock in early age and additives such as ginseng in three levels on birds weight and feedconsumption. Results showed that the exposure to high temperature (38-400C) lead to significant decrease (p≤≤≤≤≤0.05 (inaverage body weight at7 day of age and significant decrease in body weight in birds expousured to high temperature inthe periods 2, 4 and 6 hours compared with control (Table 1). Significant decrease in live body weight when exposure to2hr compared with 6hr namely (138.54) and (144.21), respectively while no significant difference between 2 and 4h.Results showed no significant effect in body we

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