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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
Wed Mar 20 2019
Journal Name
International Journal Of Research In Social Sciences And Humanities
THE WATER ECOSYSTEM OF THE MARSHES OF MAYSAN GOVERNORATE USING REMOTE SENSING AND GIS
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The study addressed the water ecosystems of the marshes of Maysan Governorate as one of the important areas in Iraq in terms of the environmental, economic and tourism aspects. This area was exposed to great environmental changes due to natural and human factors which greatly affected the water ecosystem and made the area susceptible to many problems that affected the biological life of living organisms. The marshes of Maysan Governorate was affected by vital factors and non-vital factors. The marshes of Maysan Governorate was characterized by the UN Organization as one of the most important centers of biodiversity in the world because of the abundance of different and rare living organisms such as birds, fish, and reptiles as well as the e

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Publication Date
Sun Dec 07 2008
Journal Name
Baghdad Science Journal
Synthesis of New Heterocyclic Compounds Derived from Anthrone and Evaluation of Their Biological Activity
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In this research, Schiff bases derived from the reaction of anthrone with different heterocyclic amines have been described. The resulted Schiff base compounds were reacted with various nucleophiles in order to obtain new heterocyclic derivatives. Chemical structures of all products were confirmed by IR, 1H-, 13C-NMR spectral data and elemental analysis. All synthesized compounds were in vitro tested against a standard strain of pathogenic microorganism including Gram +ve bacteria (Staphylococcus aureus), Gram –ve bacteria (Escherichia coli), and fungi (Candida albicans).

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Publication Date
Thu Aug 01 2019
Journal Name
Biochemical And Cellular Archives
PARTIAL PURIFICATION AND CHARACTERIZATION OF ACID PHOSPHATASE FROM SERA OF OBESE DIABETES MELLITUS PATIENTS
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The study aimed to purification of acid phosphatase (ACP) from sera of obesetype 2 diabetes mellitus patients, this study included from thirty T2DM patients and thirty control, purification process was done with several steps included precipitation with inorganic salt (NH4 ) 2SO4 30%-80%, dialysis, ion exchange chromatography by DEAE sepharose anion column and size exclusion chromatography by Sepharose 6B.ACP, BMI, FBS, HbA1c, Lipid profile, Urea, Creatinie, Insuline, Homa-IR were determined. Results showed the precipitate and concentrated protein appeared four peaks in ion exchange column. ACP located in the first and second peak with purification fold (21.1), (37.2) yield of enzyme and specific activity (173.3) IU/ml, which obtained a si

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Scopus
Publication Date
Sat Jul 28 2018
Journal Name
Journal Of Engineering
Effects of Subsurface Water Retention Technology on Crop Coefficient and Crop Evapotranspiration of Eggplant
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In this paper, the effects of subsurface water retention technology (SWRT) on crop coefficient (kc) and crop evapotranspiration (ETc) of eggplant were investigated in sandy loam soil. For this purpose, two treatments plot (with SWRT and without using SWRT) were adopted during 93 days of cultivation. The study was conducted in open field within Al-Fahamah Township, Baghdad, Iraq during summer growing season 2017. The accumulated ETc of eggplant was 403.3 and 515.2 mm for SWRT treatment and control plot, respectively by reduction percentage 21.7 %. The average values of ETc during the growing season were 4.3 and 5.5 mm/day, respectively. The crop coefficients value during the gro

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Publication Date
Mon Oct 21 2024
Journal Name
Iraqi Statisticians Journal
On Inference of Finite Mixture of Rayleigh Distribution by Gibbs Sampler and Metropolis-Hastings
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Inferential methods of statistical distributions have reached a high level of interest in recent years. However, in real life, data can follow more than one distribution, and then mixture models must be fitted to such data. One of which is a finite mixture of Rayleigh distribution that is widely used in modelling lifetime data in many fields, such as medicine, agriculture and engineering. In this paper, we proposed a new Bayesian frameworks by assuming conjugate priors for the square of the component parameters. We used this prior distribution in the classical Bayesian, Metropolis-hasting (MH) and Gibbs sampler methods. The performance of these techniques were assessed by conducting data which was generated from two and three-component mixt

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Publication Date
Wed May 10 2023
Journal Name
Journal Of Planner And Development
The role of historical memory on social and Cultural mobility of Hilla Old city
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As long as the place in which a person lives has a meaning and temporal dimensions , memory is the main axis of these dimensions , today , city centers and old historical sectors of cities are abandoned , and began to turn into slums , the contradiction between old and historical sectors led cities to lose their identity while people lost their sense of belongingness to the old sectors where their ancestors used to live . The old city of Hilla used to have social , historical and cultural role on determining the identity . The study problem can be summarized as the ( lack of studies regarding the impact of historical memory related to Hilla old city on social and cultural mobility ) , the study hypothesis claims that the social , histori

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Publication Date
Wed Aug 28 2019
Journal Name
Journal Of Engineering
Influence of Liquid Asphalt on Resilient Modules and Permanent Deformation of Recycled Asphalt Concrete
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Tests were performed on Marshall samples and were implemented for permanent deformation and resilient modulus (Mr) under indirect tensile repeated loading (ITRL), with constant stress level. Two types of liquid asphalt (cutback and emulsion) were tried as recycling agents, aged materials that were reclaimed from field (100% RAP), samples were prepared from the aged mixture, and two types of liquid asphalt (cutback and emulsion) with a weight content of 0.5% were utilized to prepare a recycled mixture. A group of twelve samples was prepared for each mixture; six samples were tested directly for ITRL test (three samples at 25˚C and three samples at 40˚C), an average value for ITRL for every three samples was calculated (

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Publication Date
Thu Apr 21 2016
Journal Name
Iraqi Journal Of Agricultural Sciences
EFFECT OF SHEEP MANURE EXTRACT ON THE GROWTH AND NUTRIENTS CONTENT OF TOMATO SEEDLINGS
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The experiment was conducted under shading (with the aid of Saran) condition on a nursery managed by the Baghdad Mayoralty during the season of 2014-2015 to study the effect of composed sheep manure extract on the growth and leaf nutrients content of tomato seedlings var. Wijdan. The experiment was composed of 6 treatments included the extract of sheep manure by hot (425C)and lmbient(205C) temperature water .The extract was diluted to the half by water and foliar applied to seedlings (multible application) or to the soil . Treatments also included the application of NPK chemical fertilizers as recommended and a control treatment through applying distilled water as foliar .The experiment was designed according to the randomized compl

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Publication Date
Wed Aug 01 2018
Journal Name
International Journal Of Hydrogen Energy
Synergistic effects and optimization of photo-fermentative hydrogen production of Rhodobacter sphaeroides DSM 158
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Publication Date
Wed Jan 01 2014
Journal Name
Evidence-based Complementary And Alternative Medicine
Evaluation of Antioxidant Activity and Acute Toxicity of <i>Clausena excavata</i> Leaves Extract
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Clausena excavata (Lour.), locally known as “Kemantu hitam,” is a common plant in Malaysian folklore medicine. This study evaluated the antioxidant properties of the solvent extracts of C. excavata leaves and determined the acute toxicity of methanolic extract C. excavata (MECE) leaves in Sprague‐Dawley rats. Harvested leaves were dried and subjected to solvent extraction using petroleum ether, chloroform, ethyl acetate and methanol in succession. The antioxidant activity of each extract was determined using the ferric‐reducing antioxidant power (FRAP) and 2,2‐diphenyl‐1‐picryl dihydrazyl (DPPH) radical scavenging activity. The total pheno

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