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Catalytic Hydrogenation of <i>p</i>-Chloronitrobenzene to <i>p</i>-Chloroaniline Mediated by γ-Mo<sub>2</sub>N
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Promoting the production of industrially important aromatic chloroamines over transition-metal nitrides catalysts has emerged as a prominent theme in catalysis. This contribution provides an insight into the reduction mechanism of p-chloronitrobenzene (p-CNB) to p-chloroaniline (p-CAN) over the γ-Mo2N(111) surface by means of density functional theory calculations. The adsorption energies of various molecularly adsorbed modes of p-CNB were computed. Our findings display that, p-CNB prefers to be adsorbed over two distinct adsorption sites, namely, Mo-hollow face-centered cubic (fcc) and N-hollow hexagonal close-packed (hcp) sites with adsorption energies of −32.1 and −38.5 kcal/mol, respectively. We establish that the activation of nitro group proceeds through direct pathway along with formation of several reaction intermediates. Most of these intermediaries reside in a significant well-depth in reference to the entrance channel. Central to the constructed mechanism is H-transfer steps from fcc and hcp hollow sites to the NO/–NH groups through modest reaction barriers. Our computed rate constant for the conversion of p-CNB correlates very well with the experimental finding (0.018 versus 0.033 s–1 at ∼500 K). Plotted species profiles via a simplified kinetics model confirms the experimentally reported high selectivity toward the formation of p-CAN at relatively low temperatures. It is hoped that thermokinetics parameters and mechanistic pathways provided herein will afford a molecular level understanding for γ-Mo2N-mediated conversion of halogenated nitrobenzenes into their corresponding nitroanilines; a process that entails significant industrial applications.

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Publication Date
Tue Jan 09 2018
Journal Name
Research Journal Of Pharmacy And Technology
Sequencing of Mitochondrial COI gene in new Iraqi record Paropeas achatinaceum L. P. Feiffer, 1846, Gastropoda: Subulinidea
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Fifty snails of Paropeas achatinaceum specimens were collected and classified from four areas in Baghdad-Iraq from the period between June and July, 2017. The snails were divided into two groups (each group contain 25 snails). Two environment conditions were used in this study. Natural environment considered as control and experimental environment contains Citrus sinensis (L.) roots as snail’s source food. The comparison result between snail weights in the nature and experimental environment was not significant (0.497, 95% confidence interval [CI] 0.01209–0.02309). Also, the comparison between snail weights in the nature environment and the food mean weight was significant (0.014, 95% confidence interval [CI] 0.00591-0.04109), while the

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Publication Date
Mon Sep 25 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Preparation and Characterization of the Complex Attuplgite-polyazo m-phenelen p-kresole as a Composite nano Material
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    In this study a new composite nano material was prepared and characterized through the polymerization of inter attuplgie layered m-phenylendiamine with p-kresol. The results indicated that the propagated polymer separated the clay aluminosilicate layers as a two dimensional nano-sheets soaked in the prepared polymer matrix with losing the original fibrous structure of Attuplgite clay.

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Publication Date
Wed Apr 01 2015
Journal Name
Journal Of The Faculty Of Medicine Baghdad
Immunohistochemical study of p-53 protein expression in chronic lymphocytic leukemia and its correlation with clinicopathological factors
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Background: several factors render chronic lymphocytic leukemia an interesting subject for study by researchers. These include marked progress in understanding the molecular biology of normal and neoplastic lymphoid cells and recent advances in molecular genetics techniques. Among molecular markers, p-53 cancer suppressor gene has been widely studied.
Objectives: is to correlate p-53 protein expression in chronic lymphocytic leukemia, as examined by immunohistochemical method, with some pathological and clinical parameters.
Patients and methods: this is a retrospective study; whereby archival paraffin-embedded bone marrow tissue blocks along with the clinical and hematological records of fifty patients (35 males and 15 females), wi

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Publication Date
Mon Feb 04 2019
Journal Name
Iraqi Journal Of Physics
Evaluated the level density for proton induced nuclear resonances in (P+48Ti) reaction using different models
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The experimental proton resonance data for the reaction P+48Ti have been used to calculate and evaluate the level density by employed the Gaussian Orthogonal Ensemble, GOE version of RMT, Constant Temperature, CT and Back Shifted Fermi Gas, BSFG models at certain spin-parity and at different proton energies. The results of GOE model are found in agreement with other, while the level density calculated using the BSFG Model showed less values with spin dependence more than parity, due the limitation in the parameters (level density parameter, a, Energy shift parameter, E1and spin cut off parameter, σc). Also, in the CT Model the level density results depend mainly on two parameters (T and ground state back shift energy, E0), which are app

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Publication Date
Tue Oct 02 2018
Journal Name
Iraqi Journal Of Physics
Synthesis and characterization of carbon nanospheres by catalytic CVD method
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Carbon nanospheres (CNSs) were successfully prepared and synthesized by Catalytic Chemical Vapor Deposition (CCVD) by using camphor as carbon source only, over iron Cobalt (Fe-Co) saturated zeolite at temperature between (700 oC and 900 °C), with different concentrations of camphor, and reaction time. The synthesized CNSs were characterized using Scanning Electron Microscopy (SEM), X-ray diffraction spectroscopy (XRD), and Fourier Transform Infrared (FTIR). The carbon spheres in different sizes between 100 nm and 1000 nm were investigated. This work has done by two parts, first preparation of the metallic catalyst and second part formation CNSs by heat treatment.

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Publication Date
Tue Dec 29 2020
Journal Name
Journal Of Accounting And Financial Studies ( Jafs )
Evaluating the disclosure level due to Standards & Poor’s (S&P) Indicators And its effect on relevant accounting information An applied research in Baghdad bank
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The world and the business environment are constantly witnessing many economic changes that have led to the expansion of the business' volume due to mergers and the increase in an investments volume and the complexity of business and the transformation of some systems, which was reflected on the size of the risk and uncertainty which led to necessity of a presence of transparent and objective accounting information In the way that reflects the financial performance of the economic units to be available to all users of that information, therefore, The need for the existence of indicators for transparency in the disclosure of accounting information that these units adhere to. Standards & Poor's indicators, which included items

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Publication Date
Thu Dec 09 2021
Journal Name
Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)
Thymoquinone Attenuates Immune Mediated Liver Injury Induced by Concanavalin A in Mice
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Autoimmune hepatitis is an inflammatory disease and its incidence has been increasing. The features of hepatitis are the release of inflammatory cytokines, the elevation of AST and ALT, and hepatocyte apoptosis and necrosis. Concanavalin A considered as essential model represents the acute immune-mediated liver damage in rodents. Thymoquinone is well known herbal compound that exert hepatoprotective, anti-inflammatory, and antioxidant activity. In this study, we focus on the immunoregulatory and liver protective effect of thymoquinone in a mouse model of concanavalin A-induced liver injury.

Twenty-four male mice were randomly divided into four groups each containing six animals: Negative control group, concanavalin A model group,

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Publication Date
Mon Jul 20 2020
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Applying Shrinkage Estimation Technique of P(Y<Max X1, X2,…, Xk) in Case of Generalized Exponential Distribution
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     This paper concerned with estimation reliability (­ for K components parallel system of the stress-strength model with non-identical components which is subjected to a common stress, when the stress and strength follow the Generalized Exponential Distribution (GED) with unknown shape parameter α and the known scale parameter θ (θ=1) to be common. Different shrinkage estimation methods will be considered to estimate ­ depending on maximum likelihood estimator and prior estimates based on simulation using mean squared error (MSE) criteria. The study approved that the shrinkage estimation using shrinkage weight function was the best.

 

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Publication Date
Sat Dec 01 2007
Journal Name
Electrochimica Acta
Scale-up of a fixed bed electrochemical reactor consisting of parallel screen electrode used for p-aminophenol production
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Publication Date
Sat Sep 30 2023
Journal Name
Iraqi Journal Of Science
Climate Parameter Uses as Indices For Assessment of Climate Change and Water Balance in Erbil Sub-Basin North –Iraq
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     The main goal of this study was to assess the climatic parameters in a valuable basin in northern part of Iraq, Erbil central sub-basin. Rainfall, relative humidity, temperature, evaporation, sunshine duration, and wind speed are the climate variables used in this study. The investigated periods (1980-2021) of Erbil meteorological data were used to assess the climatic and drought conditions in the studied basin. The results show a noticeable drop in relative humidity and rainfall over the past two decades, as well as a considerable rise in temperature and evaporation. The mean annual rainfall was 416mm, relative humidity is 48.74% used as term of water availability, and mean annual temperature is 22°C, total an

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