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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
Thu Oct 20 2022
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Investigating the Structural and Magnetic Properties of Nickel Oxide Nanoparticles Prepared by Precipitation Method
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This work used the deposition method to synthesize nickel oxide nanoparticles. The materials mainly used in this study were nickel sulfate hexahydrate (as a precursor) and NaOH (as a precipitant). The properties of the nanopowder were characterized by XRD, FE-SEM, EDX, and VSM. The obtained results confirmed the presence of nickel oxide nanoparticles with a face-centered cubic (FCC) structure with a lattice constant (a=4.17834 Å). Scherer and Williamson-Hall equations were used to calculate the crystallite size of about (30.5-35.5) nm. The FE-SEM images showed that the particle shape had a ball-like appearance with a uniform and homogeneous distribution and confirmed that the particles were within the nanoscale. The presence of oxygen a

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Publication Date
Sun Oct 01 2017
Journal Name
International Journal Of Oral And Maxillofacial Surgery
Characteristics of mandibular injuries caused by bullets and improvised explosive devices: a comparative study
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The purpose of this study was to investigate the difference in mandibular trauma caused by two mechanisms for the delivery of missile injuries: firearms and improvised explosive devices (IEDs). The data investigated included sex, age, mechanism of injury, and other clinical and radiographic manifestations. Seventy consecutive patients, predominantly male, with a mean age of 28.6 ± 14 years (range 2–60 years) were enrolled: 38 patients (54.3%) sustained mandibular fractures caused by bullet injuries and 32 patients (45.7%) had mandibular fractures caused by IED explosion injuries. The study revealed that the differences in most of the investigated variables were not statistically significant; the only significant differences were the inci

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Publication Date
Mon Dec 01 2014
Journal Name
Journal Of Economics And Administrative Sciences
Estimation Mean Wind Speed in Iraq By Using Parametric And Nonparametric Linear Mixed Models
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In this research, the one of the most important model and widely used in many and applications is linear mixed model, which widely used to analysis the longitudinal data that characterized by the repeated measures form .where estimating linear mixed model by using two methods (parametric and nonparametric) and used to estimate the conditional mean and marginal mean in linear mixed model ,A comparison between number of models is made to get the best model that will represent the mean wind speed in Iraq.The application is concerned with 8 meteorological stations in Iraq that we selected randomly and   then we take a monthly data about wind speed over ten years Then average it over each month in corresponding year, so we g

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Publication Date
Sun Jan 01 2017
Journal Name
International Journal Of Microbiology
Production, Characterization, and Antimicrobial Activity of Mycocin Produced by<i>Debaryomyces hansenii</i>DSMZ70238
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The present study was conducted to estimate the antimicrobial activity and the potential biological control of the killer toxin produced byD. hanseniiDSMZ70238 against several pathogenic microorganisms. In this study, the effects of NaCl, pH, and temperature, killer toxin production, and antimicrobial activity were studied. The results showed that the optimum inhibitory effect of killer toxin was at 8% NaCl, and the diameters of clear zones were 20, 22, 22, 21, 14, and 13 mm forStaphylococcus aureus, Escherichia coli, Klebsiella pneumoniae, Streptococcus pyogenes, Candida albicans,andCandida neoformans, respectively. The largest inhibition zones were

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Publication Date
Wed Feb 01 2023
Journal Name
Journal Of Ecological Engineering
Chlorpyrifos Removal from Aqueous Solutions by Emulsion Liquid Membrane – Stability, Extraction, and Stripping Studies
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Publication Date
Sun Jan 01 2023
Journal Name
Desalination And Water Treatment
Biosorption of Cd(II) ions by Chlorella microalgae: isotherm, kinetics processes and biodiesel production
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This study aims to remove Cd(II) ions from simulated wastewater by using Chlorophyceae algae (CA). Different parameters were studied to show their effects on the biosorption efficiency of CA. These parameters are: the effect of pH 3-7, initial metal ion concentration 20-200 mg/L, sorbent dos-age 0.05-2 g/L, contact time 5-180 min, and agitation speed 100-300 rpm. We found that both the Langmuir and Freundlich models appropriate for characterizing the metal removal process. The biosorption data fit best with the results of the pseudo-second-order kinetic model, demonstrating that the chemisorption process is the dominant mechanism controlling the removal. CA was char-acterized using the scanning electron microscopy test, prior to and post bi

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Publication Date
Fri Jan 01 2021
Journal Name
Materials Today: Proceedings Journal
Improving torsional – Flexural resistance of concrete beams reinforced by hooked and straight steel fibers
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Publication Date
Sun Dec 01 2019
Journal Name
Journal Of Accounting And Financial Studies ( Jafs )
Adoption of ISSAI 5600 (Peer Review) by SAIs and its Impact on its Performance
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    تعد مراجعة النظير واحدة من الأســاليب الحديثة فــي مجال الرقابة والتدقيق ونشــأة كأداة لقياس مــدى فاعليــة الرقابــة علــى الجــودة هو لبنة أساسية في إدارة الجودة الشاملة ووسيلة لتحســين أدوات الرقابــة المعمول بها، وللتحقق من مدى الانسجام بين المعايير الدولية للأجهزة العليا للرقابة المالية والمحاسبة والاجراءات المعمول بها من قبل الاجهزة العليا للرقابة وعليه فأن مراجعة النظير أداة تستخدم ف

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Publication Date
Thu Nov 14 2019
Journal Name
Al-kindy College Medical Journal
Risk Of Cancer And Radiation Dose Received By Patients From Common Diagnostic Radiological Examinations
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Background: Although radiological diagnostic studies (RDS) are an important and acceptable part of medical practice, it is not without hazards. It is associated with increased risk of cancer. Unfortunately the typical and safe dose of each radiological examination is not known. Most of our knowledge of cancer risk comes from studies of survivors of those exposed to whole body radiation from atomic bomb in Hiroshima & Nagasaki, jobs associated with radiation exposure, Chernobyl survivors & patients treated with radiation therapy for cancer and other diseases.

 Objectives   To estimate radiation dose received by patients from diagnostic radiological examinations and lifetime

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Publication Date
Thu Mar 30 2017
Journal Name
Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)
Determination of Cefalexin by Direct (UV- Vis) Spectrophotometer and Indirect(Flame Atomic Absorption) Technique
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         A new method for the determination of the drug cefalexin in some Pharmaceuticals using (UV-Vis) and  indirect Flame Atomic Absorption Spectrophotometer (FAAS) , Fe III should forms a chelating complex with cefalexin (CEX –Fe III) at pH (1-8) and the best pH for the formation of (CEX –Fe III) chelating complex was (2) .The complex extracted with Methanol  and  Dimethy-Sulphoxide .The mole-ratio method has been used to determine the structure of chelate (CEX - Fe III) and found to be 2:1 LM ( Ligand : Metal.) .

Keywords : Cefalexin , chelating complex.

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