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Reaction pathways and transition states of the C-C and C-H bond cleavage in the aromatic pyrenemolecule - A Density Functional study
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The activation and reaction energies of the C-C and C-H bonds cleavage in pyrene molecule are calculated applying the Density Functional Theory and 6-311G Gaussian basis. Different values for the energies result for the different bonds, depending on the location of the bond and the structure of the corresponding transition states. The C-C bond cleavage reactions include H atom migration, in many cases, leading to the formation of CH2 groups and H-C≡C- acetylenic fragments. The activation energy values of the C-C reactions are greater than 190.00 kcal/mol for all bonds, those for the C-H bonds are greater than 160.00 kcal/mol. The reaction energy values for the C-C bonds range between 56.497 to 191.503 kcal/mol. As for the C-H cleavage reactions the activation energies range from 163.535 to 165.116 kcal/mol, the reaction energies are nearly constant, 117.500kcal/mol. The geometries of the transition states and reaction products are discussed too.

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Publication Date
Mon Feb 04 2019
Journal Name
Iraqi Journal Of Physics
Diagnostics of low-pressure capacitively coupled RF discharge argon plasma
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Low-pressure capacitively coupled RF discharge Ar plasma has been studied using Langmuir probe. The electron temperature, electron density and Debay length were calculated under different pressures and electrode gap. In this work the RF Langmuir probe is designed using 4MHz filter as compensation circuit and I-V probe characteristic have been investigated. The pressure varied from 0.07 mbar to 0.1 mbar while electrode gap varied from 2-5 cm. The plasma was generated using power supply at 4MHz frequency with power 300 W. The flowmeter is used to control Argon gas flow in the range of 600 standard cubic centimeters per minute (sccm). The electron temperature drops slowly with pressure and it's gradually decreased when expanding the electro

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Publication Date
Tue Jan 01 2019
Journal Name
Technologies And Materials For Renewable Energy, Environment And Sustainability: Tmrees19gr
Improvement photoluminescence of nematic liquid crystal doped with gold nanoparticles
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Publication Date
Sun Mar 01 2009
Journal Name
Baghdad Science Journal
Synthesis of Some New 1,2,4-Triazoles Derived from 2-Mercaptobenzimidazole
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New 1,2,4-triazole derivatives of 2-mercaptobenzimidazole (MB) are reported. Ethyl (benzimidazole-2-yl thio) acetate (1) has been prepared by condensing 2-mercaptobenzimidazole with ethylchloroacetate. The ester (1) on reacting with hydrazine hydrate gave the corresponding acetohydrazide(2)which was reacted separately with phenylisocyanate and phenylisothiocyanate, followed by ring closure in an alkaline medium giving 3-[(benzimidazole-2-yl thio) methyl]-4-phenyl-1,2,4-triazole-5-ol and 3-[(benzimidazole-2-yl thio) methyl]-4-phenyl-1,2,4-triazole-5-thiol respectively (6,7). Reaction of acetohydrazide (2) with CS2 and ethanol/KOH, gave dithiocarbazate salt (8). Cyclization of (8) with hydrazine hydrate gave 3-[(benzimi

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Publication Date
Sun Jun 01 2014
Journal Name
Baghdad Science Journal
Anti –phytopathogenic Activities of Cladophora glomerata extract against plant fungi
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The antiphytopathogenic effects of the crude methanol extract of Cladophora glomerata (Lin.) Kützing (Cladophoraceae) which isolated from Al Rashidiya region at north of Baghdad was investigated against two type of plant fungi (Pythium altimum and Rhizoctonia solani) which causes damping off disease where isolated from covered cucumber field in Al-Alyosifia region. Hot methanol extract showed antifungal activity against the two species of fungi in different concentrations(10,25,50 mg/ml) of extract to Cladophora glomerata as percentage inhibition (51.63 ,72.8 ,83.71) and (56.18 ,77.41 ,100)comparing with Pythium altimum and Rhizoctonia solani respectively .primary detection of active compounds showed that macroalgae (Cladoph

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Publication Date
Thu Nov 03 2022
Journal Name
International Journal Of Special Education
Adsorption of Methylene Blue from Their Aqueous Solution: Review Article
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Various industrial applications include the dyeing of textiles, paper, leather, and food products, as well as the cosmetics industry. Physic-chemical methods are required to breakdown dyes because they are known to be harmful and persistent in the environment. Many companies' treated effluents contain small amounts of dyes. When it comes to removing dye from wastewater, adsorption has verified to be aneconomical alternative to more traditional treatment procedures. It's important to degrade color impurities in industrial effluents since they constitute a serious health and environmental concern. One way that's been tried is using clay minerals as an adsorbent. Using adsorption for removing

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Publication Date
Fri Dec 01 2023
Journal Name
Baghdad Science Journal
Effect of Celery (Apium graveolens L.) Microgreens on Drosophila melanogaster
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Celery (Apium graveolens L. ; family : Apiaceae) was often used as a spice in daily food. However, this plant contains many antioxidant compounds useful for attenuating neurodegenerative disorders including Parkinson's disease. Planting celery in the form of microgreens harvested 15 days was expected to increase the content of bioactive compounds. In the current study, we intended to evaluate the neuromodulatory potential of methanol extract of celery microgreens on fruit flies (Drosophila melanogaster Meigen : family Drosophilidae ; ordo : Diptera) which were exposed to paraquat. Neuroprotective capacity was assessed by survival rate, locomotor performance, lipid peroxidation and dopamine content after being treated wi

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Publication Date
Fri Nov 02 2018
Journal Name
Iraqi National Journal Of Nursing Specialties
Evaluation of nurses practices toward patients who undergo cardiac catheterization
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Objective: To evaluate the nurse's practices and it's relationship between with thier demographic characteristic.
Methodology: A descriptive study was carried out , from January 15th 2002 to April 15th 2002 , to evaluate the
nurse’s practices toward patients who undergo cardiac catheterization . A purposive sample of ( 65 ) nurse , was
selected out of three teaching hospitals in Baghdad city . These nurses were worked at the catheterization units
and catheterization labs .A questionnaire was constructed for the purpose of the study , which comprised of three
major parts in which there were ( 45 ) items . Reliability and validity of the questionnaire were determined
through the conduct of a pilot study .
Data were c

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Publication Date
Thu Oct 18 2018
Journal Name
Applied Bionics And Biomechanics
Active Impedance Control of Bioinspired Motion Robotic Manipulators: An Overview
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There are two main categories of force control schemes: hybrid position-force control and impedance control. However, the former does not take into account the dynamic interaction between the robot’s end effector and the environment. In contrast, impedance control includes regulation and stabilization of robot motion by creating a mathematical relationship between the interaction forces and the reference trajectories. It involves an energetic pair of a flow and an effort, instead of controlling a single position or a force. A mass-spring-damper impedance filter is generally used for safe interaction purposes. Tuning the parameters of the impedance filter is important and, if an unsuitable strategy is used, this can lead to unstabl

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Publication Date
Wed Jul 01 2015
Journal Name
Political Sciences Journal
Israeli vision of Iran's nuclear program Under Iranian - US rapprochement
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Israel is one of the countries most interested in Iran's nuclear program file, and the progress of negotiations between Iran and the six countries and will end it, as well as the nature of the relationship between Iran and the United States of America. Is determined by the Israeli vision of the nature of Iran's nuclear program Iran's policy toward Israel orientations, which does not recognize the existence of Israel. Israel, therefore, one of the countries pushing to prevent Iran from acquiring nuclear technology. However, those Israeli efforts did not succeed in achieving its objectives, the United States of America and European countries is well aware of the risk of stenosis on Iran, as well as the risks and the consequences of militar

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Publication Date
Sun Jan 08 2017
Journal Name
International Journal Of Information Technology And Computer Science
Adaptive Modeling of Urban Dynamics during Armada Event using CDRs
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