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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
Sat Oct 01 2011
Journal Name
Iraqi Journal Of Physics
The Structure and Electrical Properties of Porous Silicon Prepared by Electrochemical Etching
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Porous silicon was prepared by using electrochemical etching process. The structure, electrical, and photoelectrical properties had been performed. Scanning Electron Microscope (SEM) observations of porous silicon layers were obtained before and after rapid thermal oxidation process. The rapid thermal oxidation process did not modify the morphology of porous layers. The unique observation was the pore size decreased after oxidation; pore number and shape were conserved. The wall size which separated between pore was increased after oxidation and that effected on charge transport mechanism of PS

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Publication Date
Mon Oct 06 2014
Journal Name
Plos One
Hepatic Carboxylesterase 1 Is Induced by Glucose and Regulates Postprandial Glucose Levels
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Publication Date
Mon Jan 02 2012
Journal Name
Karbala Journal Of Medicine
Open Tibial Shaft Fractures Treated By Primary External Fixation And Bone Graft
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Eprospective study undertaken between January 2007 and January 2011, 58 consecutive cases with compound tibial shaft fractures. All fractures were stabilized by external fixator device AO/ASIF type after failed the manipulation under anesthesia (MUA) to restore the osseous alignment. In 32 patients cancellous bone graft were used from the upper part of the tibia to enhance healing process, all these patients were followed for an average of 8–12 months. Our findings showed that stabilization of the fracture shaft tibia by external fixation with cancellous bone graft had significantly better result, than external fixation alone. We conclude that unilateral, uniplanar external fixation with early bone grafting from upper part of the tibia is

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Publication Date
Wed Dec 30 2009
Journal Name
Iraqi Journal Of Physics
Preparation and characterization of nanostructure high efficient CdS/Si hetrojunction by CBD
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In this paper, CdS/Si hetrojunction solar cell has been made by
Chemical Bath Deposition (CBD) of CdS thin film on to
monocrystalline silicon substrate. XRD measurements approved that
CdS film is changing the structure of CdS films from mixed
hexagonal and cubic phase to the hexagonal phase with [101]
predominant orientation. I-V characterization of the hetrojunction
shows good rectification, with high spectral responsivity of 0.41
A/W, quantum efficiency 90%,and specific detectivity 2.9*1014
cmHz1/2W -1 .

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Publication Date
Wed Mar 29 2017
Journal Name
Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)
Preparation and Evaluation of Oral Disintegrating Tablets of Ketoprofen by Dirct Compression
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Ketoprofen is a non-steroidal anti-inflammatory (NSAID) drug with analgesic, anti-inflammatory, and antipyretic effects. It is widely used in the treatment of inflammation and pain associated with rheumatic disorders such as rheumatoid arthritis, osteoarthritis, and in soft tissue injury. The purpose of this study was to prepare an  oral disintegrating tablets of ketoprofen by simple method. The tablets were prepared by direct compression method and different ratios of various subliming agents or superdisintegrants were incorporated. Then these tablets were evaluated for hardness, friability, weight variation, water absorption ratio, disintegrating time and dissolution time. The results showed that Formula F11 batch had short disint

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Publication Date
Sat Mar 18 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Preparation of Silver Nanoparticles by Sol - Gel Method and Study their Characteristics
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 Powder of silver nanoparticles was prepared by Sol - Gel method successfully using silver nitrate , (AgNO3) gesture is added to sodium citrate (C6H5O7Na3) as a reducing agent and by using  Magnetic Stirrer to mix the solutions and heated then using centrifuge machine to separate the silver nanoparticles from solution .It is then dried in an oven at a temperature 40oC for 24 hours.     Structure characteristics was studied , the synthetic silver powder was prepared through the use of an (XRD). Results showed the composition of silver nanoparticles is a (fcc) and a constant lattice (4.086 ± 0.006 Ã…) by comparing it with standard tables (JCPDS) which is found perfectly matched to file with a number 04-0783, which

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Publication Date
Thu Mar 15 2018
Journal Name
Journal Of The College Of Education For Women
Metadiscourse Markers in Linguistic Abstracts by American and Iraqi Students of English
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Metadiscourse markers are means for organizing a writer’s information and create a connection with her/his readers. When students write, they usually focus on one type of these markers that is the interactive markers and belittling the use of the other type which is the interactional markers. That is to say, they emphasize on presenting and organizing their information only. Therefore, this study is conducted to bridge this gap. The researchers have selected 18 thesis abstracts. Nine of them are written by Iraqi students of English and the rest by American students. The aims of the study are to examine the types and sub-types of metadiscourse markers used by American and Iraqi students; investigate comparatively the impact of the metad

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Publication Date
Sat Jun 03 2023
Journal Name
Iraqi Journal Of Science
Study of Thermal Stability of Tetraphenanthroporphyrazine and SomeMetal Complexes By Thermogravimetric Analysis .
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The thermal stability of previously prepared tetraphenanthroporphyrazine (TPPH2) and its complexes with VO(IV) , Co(II) , Cu(II) , Zn(II) , Mg(II) , Ca (II) ions were studied by thermogravimetric analysis (TG & DTG) at temperature range (20-1000oC). The results indicated that these compounds have a high thermal stability comparable to those of phthalocyanine compounds (PC) and higher than those of hemiporphyrazine compounds (HP) . In general metal complexes were more stable than parent ligand . Data of magnetic susceptibility and electrical conductivity were also obtained as further support for the studied compoundes .

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Publication Date
Fri Mar 30 2001
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Removal of Phenol from Water and Wastewater by Chemical Precipitation with Lime
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Publication Date
Tue Mar 20 1990
Journal Name
المجلة العراقية للعلوم
INACTIVATION OF GENTAMYCIN AND STREPTOMYCIN TOXICITY AGAINST E.COLI BY AMINO ACID SUPPLEMENTATION
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Various nutritional solutions given to patients contain amino acids. Possible interference of this supplementation with selected aminoglycoside antiboiotics, namely gentamycin and streptomycin was evaluated in vitro. In minimal medium, E.coli was inhibited by gentamycin and by streptomycin. Circumvention of this inhibition was obtained with a mixture of 20 amino acids in the medium. Deletion of amino acids revealved that circumvention. specific amino acids were required for such Deletion of the aromatic amino acids or cysteine abolished the protection against gentamycin and streptomycin, while the deletion of the branched chain amino acids abolished the protection against streptomycin only. Thereonine, on the other hand, appears to be essen

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