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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 Aug 01 2020
Journal Name
Proceedings Of International Structural Engineering And Construction
ARCHITECTURAL POTENTIALITY OF FREE-FORM STRUCTURES
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Contemporary architecture has witnessed a new innovative trend in design characterized by the creation of interesting free-flowing structures that reflect expressiveness of form and design, as well as the uniqueness of structure and approaches of construction. These fascinating structures are often perceived as landmarks that blend harmoniously into their surroundings. In the last two decades, parametric design and advanced computational tools, with prefabrication and construction techniques, enabled architects and engineers to explore new materials and methods to create such impressive structures, breaking the obsolete ways of thinking. Several examples of free-form structures lack obviously to explore architectural potentialities,

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Publication Date
Fri Dec 29 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Levels of Geometrical Thinking of College of Education Ibn AI Haithem Students
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The  present    research  is  aimed  to  know  the  levels  of  geometrical thinking of college of education " Ibn Al Haitham students I second class" . The sample of the research consists of ( 50 ) male & female students , that were chosen randomly during  the academic year 2002-2003 .

To verify the aim of the study , the researcher reviewed the previous cognitive literature , and limited his study to the ( comprehending  analytic , ordinal , and inferential ) levels of geometrical thinking .

He  constructed  a  test  that  was  consisted  of  ( 25  )  items  .  The  test &nb

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Publication Date
Wed Mar 27 2019
Journal Name
Iraqi Journal Of Science
Gravity and Magnetic Interpretation to Study Deep Crustal Structures In Karbala and Surrounding Areas-Central Iraq
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Gravity and magnetic data were used to study the deep crustal structures in Karbala and surrounding areas in central Iraq. The space window method was used to separate the residual from regional anomalies of gravity and magnetic data, the spaces of window are equal to 48,36 and 24 km. The Total Horizontal Derivative (THD) techniques and local wavenumber of gravity and magnetic are used to identify the faults and their trends with the basement rocks.  The N45W, N45E, N-S and rarely E-W trends of faults are detected in the basement rock. It is believed that some of these faults extending from the basement to the uppermost layer of the sedimentary rocks.

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Publication Date
Mon Dec 23 2019
Journal Name
Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)
Inhibition of NF-kB Pathway by Gggulsterone in the Protective Effects of Cyclophosphamide-Induced Renal Toxicity
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Cyclophosphamide which acts as cytotoxic alkylating agent can induce a renal damage through the toxic metabolites which result from metabolic activation of Cyclophosphamide by cytochrome P-450 inside hepatocyte and develop renal toxicity by direct binding with cellular organelles in the urinary tract cells. Guggulsterone is a sterol derived from plant has ability to bind to farsenoid X receptor, mineral corticosteroid receptor, androgen receptor, glucocorticoid receptor and estrogen receptor.

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Publication Date
Sat Sep 23 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Inhibition of Mico.nazole --resistant mutants o'f Candida al:J,lcalts; by aqueous extract of Matric aria chamomile
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fhe  .rudy has shad a light on the abi_ lity Qf  aq,ueous. extract of

Mairlr:aria chamomile ibr eliminating growth of miconazole. .resistant

muta.nt of Candida   albk·afzy. whi-ch  i:,solated  from . human. ruiil and vagina ;Tfl- inimJ.tJTI  inhibition  cohc!:lhtra_tion  (MIC) is l6 Jrl'g/n: l. Spon-taneous tesistant  .mutatiqns-.fot mic-onazole were also is:ola ed by using sp 1-f.g/ml of rni:comlzoJeThis   ::onc ntrf}:ti:o:n  is five times more than   the  MIC .Different c<:n'lcentnrtlo·ns.  of  aqu pus   e trac.t   of Mchr:ztno}Jiile'Â

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Publication Date
Sat Nov 28 2020
Journal Name
Iraqi Journal Of Science
Clay Minerals and Organic Matter from Deeply Buried Ordovician-Silurian Shale in Western Iraq: Implications for Maturity and Hydrocarbon Generation
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The present work is conducted on the Paleozoic (Ordovician) Khabour and the (Silurian) Akkas shales in the Akkas-1 well of western Iraq. The study is aiming to determine the implications of clay mineral transformation, organic mineral distribution and maturity of hydrocarbon generation, using X-ray diffraction (XRD), scanning electron microscopy (SEM) in addition to organic matter concentrations. In the shale of the Khabour Formation, amorphous organic matter is common and includes various Tasmanite-type organic matter, vitrinite, inertinite, and bituminite. The main clay minerals observed include illite, chlorite, kaolinite, in addition to mixed-layer illite-smectite and rare smectite. In Silurian shale, high content of organic matter i

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Publication Date
Thu Dec 28 2017
Journal Name
Al-khwarizmi Engineering Journal
Mechanical Properties and Corrosion Behavior of Low Carbon Steel Weldments
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This research involves studying the mechanical properties and corrosion behavior of “low carbon steel” (0.077wt% C) before and after welding using Arc, MIG and TIG welding. The mechanical properties include testing of microhardness, tensile strength, the results indicate that microhardness of TIG, MIG welding is more than arc welding, while tensile strength in arc welding more than TIG and MIG.

The corrosion behavior of low carbon weldments was performed by potentiostat at scan rate 3mV.sec-1 in 3.5% NaCl to show the polarization resistance and calculate the corrosion rate from data of linear polarization by “Tafel extrapolation method”. The results indicate that the TIG welding increase the corrosion current d

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Publication Date
Sat Aug 21 2021
Journal Name
Engineering, Technology &amp; Applied Science Research
A Comparison between Static and Repeated Load Test to Predict Asphalt Concrete Rut Depth
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Rutting has a significant impact on the pavements' performance. Rutting depth is often used as a parameter to assess the quality of pavements. The Asphalt Institute (AI) design method prescribes a maximum allowable rutting depth of 13mm, whereas the AASHTO design method stipulates a critical serviceability index of 2.5 which is equivalent to an average rutting depth of 15mm. In this research, static and repeated compression tests were performed to evaluate the permanent strain based on (1) the relationship between mix properties (asphalt content and type), and (2) testing temperature. The results indicated that the accumulated plastic strain was higher during the repeated load test than that during the static load tests. Notably, temperatur

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Publication Date
Sun Mar 01 2020
Journal Name
Indian Journal Of Forensic Medicine & Toxicology
Determination of Some Volatile Organic Compounds in the water produced at Al-Ahdab oilfield in the Governorate of Wasit, Iraq using Headspace SPE-GC-FID
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The study was conducted over the period of Oct 2018 to Apr 2019 and is aimed for the detection and estimation of four hazardous Volatile Organic Compounds VOC (benzene, toluene, ethylbenzene, and xylene) so-called (BTEX) in samples collected from the produced water in the Al-Ahdab oil field in Iraq also to track their availability in the important natural water sources around the field. These compounds pose a risk to human health as well as environment. To avoid the laborious and tiresome conventional extraction methods, water samples were collected and concentrated using solid-phase extraction technique (SPE) which is a robust and cost-effective method of sample extraction with minimal exposure and handling of solvents and then to be analy

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Publication Date
Sun Dec 22 2024
Journal Name
Iraqi Journal Of Science
Synthesis and characterization of some 2-sulphanyl benzimidazole derivatives and study of effect as corrosion inhibitors for carbon steel in sulfuric acid solution
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This research involves the synthesis of some sulphanyl benzimidazole derivatives (Ia-c), which were prepared from reaction of 2-mercaptobenzimidazole substituted benzyl halide, and structures were identified by spectral methods[FTIR, 1H-NMR and 13C-NMR].These compounds were investigated as corrosion inhibitors for carbon steel in 1M H2SO4 solution using weight loss, potentiostatic polarization methods; obtained results showed that the sulphanyl benzimidazole derivatives retard both cathodic and anodic reactions in acidic media, by virtue of adsorption on the carbon steel surface. This adsorption obeyed Langmuir’s adsorption isotherm. The inhibition efficiency of (Ia-c) ranging between (65-92) %. By using different Ib derivative conc

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