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Calculation of Stabilization Energy of Tetrahedrane with its Nitrogen Substituted Derivatives by DFT Method and Driving an Empirical Relation Connect it with Charge Functions of the Molecule
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In this work the strain energy of tetrahedrane and its nitrogen substituted molecules were calculated by isodesmic reaction method according to DFT quantum chemical fashion, the used basis set was 6-31G/B3-LYP, in addition all structures were optimized by RM1 semi-empirical method. From the obtained data we estimate an empirical equation connect between strain energy of the molecule with charge functions represented by dipole moment of the molecule plus accumulated charge density involved within the tetrahedron frame plus the number of nitrogen atoms. The results indicate the charge spreading factors by polarization and processes are the most important factors in decreasing the strain energy.

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Publication Date
Sat Nov 05 2022
Journal Name
Hiv Nursing
Coordination Compounds of Carbonyl Oxygen and Indole Nitrogen Bidentate Ligand; Synthesis, Structural Characterisation and Biological Activity
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The synthesis of the bisaldehyde ligand 2-(1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)malonaldehyde (B) and its coordinated compounds with Cr(III), Mn(II), Fe(II), Co(II), Ni(II) and Cu(II) ions are reported. The synthetic route of B was completed by adopting the Vilsmeier-Haack reaction. This was based on the mixing of 1,1,2-trimethyl-1H-benzo[e]indole with phosphoryl trichloride and N, N-dimethylformamide (anhydrous) that gave the aminomethylenemalondialdehyde. The use of POCl3 and DMF was aimed to give the Vilsmeier-Haack intermediate, which was kept at 5°C and then heated with stirring at 85°C. The addition of an aqueous NaOH solution (35%) to the reaction mixture resulted in the isolation of B. The monomeric coordinated comp

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Publication Date
Tue Mar 28 2017
Journal Name
Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)
Comparative Analysis of the Fatty Acid Pattern of Silybum marianum with Nigella sativa by Gas Chromatography-Mass Spectrometry
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Many studied were conducted to evaluate the antihepatotoxic and antioxidant activities of Silybum marianum and proved these actions. The Naturally grown seed in Iraqi-Kurdistan Region also were studied for its chemical contents and biological activities. Vegetable oils occur in various plant parts mainly concentrated in the seeds.

In this study comparison was made between the fatty acid patterns of two plant seeds, Silybum marianum and Nigella sativa. Seed sample of Silybum marianum and Nigella sativa were exposed for extraction and isolation of the fatty acid contents using two different solvents (petroleum ether and n-hexane) at 60-80oC using soxhlet apparatus and the oily extract

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Publication Date
Sun Oct 01 2023
Journal Name
Ijid Regions
Systemic sclerosis presents its cutaneous manifestations with innovative triple therapeutic regime
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Publication Date
Fri Feb 09 2024
Journal Name
Sustainability
Enhancing Asphalt Performance and Its Long-Term Sustainability with Nano Calcium Carbonate and Nano Hydrated Lime
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Nanomaterials enhance the performance of both asphalt binders and asphalt mixtures. They also improve asphalt durability, which reduces resource consumption and environmental impact in the long term associated with the production and transportation of asphalt materials. Thus, this paper studies the effectiveness of Nano Calcium Carbonate (Nano CaCO3) and Nano Hydrated Lime (NHL) as modifiers and examines their impact on ranges from 0% to 10% through comprehensive laboratory tests. Softening point, penetration, storage stability, viscosity, and mass loss due to short-term aging using the Rolling Thin Film Oven Test (RTFO) were performed on asphalt binders. Results indicated a significant improvement in binder stiffness, particularly

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Publication Date
Sun Apr 23 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Charge Transport At Liquid/Liquid Interface
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 Charge  transfer (CT) at  liquid/liquid  interfaces are described  theoretically depending on  the quantum theory .A model that derived used to calculate the rate constant  of transport at liquid/liquid  interfaces. The calculation of the rate constant of  charge  transfer depends on  the calculation of the reorganization energy, driving force ,and the coupling coefficient . Large reorganization energies  and large rate constant  for charge transfer ,indicate that the transitions involve more energy to happen . The system have large 𝐸0 (𝑒𝑉) refers that  type  of  liquid  is more reactive media than other liquid types with same d

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Publication Date
Sun Jan 02 2011
Journal Name
Journal Of Educational And Psychological Researches
School s’ Violence and its relation to academic Failed and School s’ Drop - Out among Intermediate stage Pupils
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The present research aims to know the relation of Violence on academic Failed and School s’ Drop - out among Intermediate stage Pupils. The sample of the research reached (400) male and female pupils (failed and not failed ), and (69) male and female that Drop – out from Intermediate stage. The researcher used scale of Violence that constructed by (AL- qaysi , 2004) after she got Validity and Reliability to it . So that she used t- test for one sample, t- test for two independent sample, and Person correlation coefficient as a statistical means. The research reached to the results that indicates raising of level of Violence among the Intermediate stage pupils (failed and not failed) and the male and female that Drop – out from Inte

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Publication Date
Sun Feb 10 2019
Journal Name
Iraqi National Journal Of Nursing Specialties
Health Belief Model and its Relation to Age and Body Mass Index Considering Colorectal Examinations among Graduate Students
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Abstract
Objectives: The study aims to: (1) Find out the relationship among participants’ age, body mass index (BMI), and Health Belief Model (HBM) related to colorectal examinations among graduate students. (2) Investigate the differences in Health Belief Model constructs between the groups of age, gender, marital status, and education level among graduate students.
Methodology: A descriptive correlational study design which conducted in the College of Fine Arts – University of Baghdad. A convenience sample of 80 graduate students were included in this study. The data were collected by using a self-reported questionnaire which consisted of two parts (I) socio-demographic characteristics (II) Colorectal Cancer Screening Beliefs

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Publication Date
Tue Jan 01 2019
Journal Name
International Journal Of Pharmaceutical Research
New method for the evaluation of propranolol with phosphotungstic acidvialong distance chasing photometer (NAG-ADF-300-2) using continuous flow injection analysis
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A new, simple and sensitive method was used forevaluation of propranolol withphosphotungstic acidto prove the efficiency, reliability and repeatability of the long distance chasing photometer (NAG-ADF-300-2) using continuous flow injection analysis. The method is based on reaction between propranolol and phosphotungstic acid in an aqueous medium to obtain a yellow precipitate. Optimum parameters was studied to increase the sensitivity for developed method. A linear range for calibration graph was 0.007-13 mmol/L for cell A and 5-15 mmol/L for cell B, and LOD 207.4792 ng/160 µL and 1.2449 µg/160 µL respectively to cell A and cell B with correlation coefficient (r) 0.9988 for cell A, 0.9996 for cell B, RSD% was lower than 1%, (n=8) for the

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Publication Date
Tue Jan 01 2019
Journal Name
Energy Procedia
Evaluation of the optical properties for thick films of epoxy-diamond paste blend prepared by the casting method
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Publication Date
Mon Dec 11 2017
Journal Name
Al-khwarizmi Engineering Journal
Simulation Model of Wind Turbine Power Control System with Fuzzy Regulation by Mamdani and Larsen Algorithms
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Abstract 

     The aim of this work is to create a power control system for wind turbines based on fuzzy logic. Three power control loop was considered including: changing the pitch angle of  the blade, changing the length of the blade and turning the nacelle. The stochastic law was given for changes and instant inaccurate assessment of wind conditions changes. Two different algorithms were used for fuzzy inference in the control loop, the Mamdani and Larsen algorithms. These two different algorithms are materialized and developed in this study in Matlab-Fuzzy logic toolbox which has been practically implemented using necessary intelligent control system in electrical engineerin

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