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HOMO-LUMO Energies and Geometrical Structures Effecton Corrosion Inhibition for Organic Compounds Predict by DFT and PM3 Methods
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A theoretical study on corrosion inhibitors was done by quantum calculations includes semi-empirical PM3 and Density Functional Theory (DFT) methods based on B3LYP/6311++G (2d,2P). Benzimidazole derivative (oxo(4- ((phenylcarbamothioyl) carbamoyl)phenyl) ammonio) oxonium (4NBP) and thiourea derivative 2-((4- bromobenzyl)thio) -1H-benzo[d] imidazole (2SB) were used as corrosion inhibitors and an essential quantum chemical parameters correlated with inhibition efficiency, EHOMO (highest occupied molecular orbital energy) and ELUMO (lowest molecular orbital energy). Other parameters are also studied like energy gap [ΔE (HOMO-LUMO)], electron affinity (EA), hardness (Δ), dipole moment (μ), softness (S), ionization potential (IE), absolute electron negativity (χ), and global electrophilicity index (ω) respectively. Mulliken population was also essential to determine a local reactivity by indicating reactive centers and identifyinga potential nucleophilic and electrophilic attacks sites. The adsorption of compounds is also discussedwith the bonds length, the angles, and tetrahedral of molecules. The 2SB best from 4NBP as corrosion inhibitors according to theoretical and experimental proving.Predicated.

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Publication Date
Sun Dec 07 2008
Journal Name
Baghdad Science Journal
Improvement of the monochrome image hologram by using a random phase and increasing number of Samples
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This paper present a study about effect of the random phase and expansion of the scale sampling factors to improve the monochrome image hologram and compared it with previous produced others. Matlab software is used to synthesize and reconstruction hologram.

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Publication Date
Sun Dec 02 2018
Journal Name
Journal Of The College Of Education For Women
Nutritional and Evaluation properties of natural orange juice enriched by coconut milk as kids' nutritional drink
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Coconut milk is considered as a natural drink that enhances the immunity and it is enriched by calcium, iron, magnesium and vitamin (C) and it is also safe drink for kids and bacterial anti-oxdant, and it may be used in the natural juices instead of the whole milk (cow milk) which is added to some juices. This study aimed to determine the nutritrnal value and the sensory evaluation properties of the natural orange juice enriched by canned coconut milk                                                 &nb

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Publication Date
Tue Jan 18 2022
Journal Name
Iraqi Journal Of Science
Hydrological and Radiological Studies of Water Resources by Using Radon in Hashimiya Area- Middle of Iraq.
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Radon concentrations are measured for water samples collected from twenty wells which were drilled in Hashimiya area in addition to twelve samples of surface water using Alpha Gaurd. 140 samples, 7 for each well, were collected represent wet season in continuous pumping and 20 samples, one for each well, were collected represent dry season. Concentration of radon in groundwater is many times of its concentration in surface water. The minimum concentration in groundwater is about (7) Bq/L and (5) Bq/L while the maximum concentration is about (31) Bq/L and (19) Bq/L in wet season and dry season respectively. The range of radon concentrations in river water is between (1.06) Bq/L and (1.21) Bq/L. This study has indicated that there is a flo

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Publication Date
Tue Jan 01 2013
Journal Name
European Journal Of Experimental Biology
Cytotoxic and apoptotic activity of leinamycin Produced by Streptomyces atroolivaceous THS-44 isolate from Iraqi soli
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Leinamycin is a thiol dependent DNA alkylating agent which shows very potent activity against various cancer cell lines. This natural compound forms guanine adducts (N7) in DNA which are converted into a basic sites and simultaneously generates Reactive Oxygen Species (ROS), to produce DNA strand breaks in human cancer cells. In present study, eight different strains isolated from Iraqi soils were taxonomically assigned as Streptomyces.atroolivaceous. Remarkably the strain named as THS-44 was distinguished in productivity in comparison with other strains; the amount of leinamycin was 50.98 mg/l. In this study, we assessed the cytotoxic activity of leinamycin against RD and ANM3 cancer cell line in compare with REF cell line as a normal cont

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Publication Date
Fri Apr 22 2022
Journal Name
Galore International Journal Of Health Sciences And Research
Use of Flavonoids and Green Tea Extracts as Antioxidants Induced by Oxidative Stress: A Review Article
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The aim of this work is to shed light on the importance of medicinal plants, especially those that have extracts that have a direct effect on human health. The study and identification of botany is necessary because human life has become closely linked to the life of plants as food . In addition to using plants as food, primitive man did not stop at this point, but rather developed their use to hunt prey and also used toxic plant materials in wars. With the passage of time, the ancient man was able to link the wild plants that cover the surface of the earth and the diseases that afflict him, so he used these plants or Parts of it are for treatment. A medicinal plant is defined as one or more of its parts that contain one or more che

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Publication Date
Mon Oct 01 2018
Journal Name
Journal Of Economics And Administrative Sciences
The effect of deficiencies in the standards and tools used for the management of the banking system in the emergence of the financial crisis by focusing on the Basel 1and 2
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The banking industry, as a result of the great challenges it faced, required continuous development of the principles of management, control and mechanisms used. The Basel Committee on Banking Supervision has played a leading role in legalizing many of these developments and has been able to contribute significantly to establishing a common framework for banking supervision, The central role in the various countries of the world is based on coordination between the various regulatory authorities and thinking about finding mechanisms to confront the risks faced by banks, recognizing the importance of the banking sector in the stability of domestic and international banking systems or the danger of this sector in the emergence of F

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Publication Date
Mon Feb 24 2025
Journal Name
Sport Culture
Some bio-motor abilities and their relationship to the skill of standing on the hands followed by the forward roll on the mat of floor movements in artistic gymnastics for women
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The research consists of five chapters, and in the first chapter, it addresses the introduction and importance of the research, where the researcher explained the importance of bio-motor abilities and their role in achieving a high level through their connection to the skill performance of standing on the hands followed by the forward roll, and the research problem: Do these bio-motor abilities have an impact on the level of skill performance? Handstand followed by forward roll.

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Publication Date
Tue Feb 12 2019
Journal Name
Iraqi Journal Of Physics
Calculated the diffuse and direct parts of global solar radiation in Baghdad city for the period (1983-2005) depending on clearness index by applying the two world models of Liu -Jordan
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In this paper solar radiation was studied over a region of Baghdad (Latitude 33.3o and longitude 44.4o). The two parts of global solar radiation: diffuse and direct solar radiation were estimated depending on the clearance index of measured data (Average Monthly mean global solar radiation). Metrological data of measured (average monthly mean diffuse and direct solar radiation) were used to comparison the results and show the agreement between them. Results are determined by applying Liu and Jordan two models (1960). Excel 2007program is used in calculation, graphics and comparison the results.

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Publication Date
Fri Nov 24 2023
Journal Name
Iraqi Journal Of Science
New Approach for the On-Line Spectrophotometric Determination of Folic Acid in Pure and Pharmaceutical Preparation via Oxidation by Cerium(IV) Sulphate Using Ayah 3Sx3-3D-Solar Cell CFI Spectrophotometer Analyzer
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A newly photometric analytical method characterized by its speed and sensitivity was developed for the determination of folic acid in pure and pharmaceutical samples via its oxidation to reddish-orange coloured complex through oxidation by cerium (IV) sulphate in aqua medium using homemade Ayah 3Sx3-3D-solar cell CFI photometer. The colored species were determined using supper bright green light emitting diode (LED) as a source. A 100μl was taken as a best sample volume for the determination of folic acid. The linearity of calibration curve for the instrument response versus folic acid concentration was 0.005-20 mmol.L-1 while the L.O.D. was 0.5  mol.L-1 from the stepwise dilution for the minimum concentration of lowest concentration

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Publication Date
Wed Mar 01 2017
Journal Name
International Communications In Heat And Mass Transfer
Optimization, modeling and accurate prediction of thermal conductivity and dynamic viscosity of stabilized ethylene glycol and water mixture Al 2 O 3 nanofluids by NSGA-II using ANN
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In this study, multi-objective optimization of nanofluid aluminum oxide in a mixture of water and ethylene glycol (40:60) is studied. In order to reduce viscosity and increase thermal conductivity of nanofluids, NSGA-II algorithm is used to alter the temperature and volume fraction of nanoparticles. Neural network modeling of experimental data is used to obtain the values of viscosity and thermal conductivity on temperature and volume fraction of nanoparticles. In order to evaluate the optimization objective functions, neural network optimization is connected to NSGA-II algorithm and at any time assessment of the fitness function, the neural network model is called. Finally, Pareto Front and the corresponding optimum points are provided and

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