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Exploring the Potential of Quantum Chemical Calculations for Synthesized Quinazoline Derivatives as Superior Corrosion Inhibitors in Acidic Environment
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Hydrochloric acid (HCl) is a substance that is frequently utilized in industrial operations for important tasks such as chemical cleaning and pickling metallic surfaces.Therefore, the corrosion inhibition ability of three newly synthesized quinazoline derivatives namely, 3-allyl-2-(propylthio) quinazolin-4(3H)-one) (APQ), (3-allyl-2-(allylthio) quinazolin-4(3H)-one) (AAQ), (3-allyl- 2-( Prop -2-yn -1-ylthio) Quinazolin - 4 (3H) - one) (AYQ) were theoretically determined and these compounds were characterized using Fourier Transform Infra-Red (FTIR) and 1H and 13C Nuclear Magnetic Resonance (NMR) spectroscopic. A series of quantum chemical properties of these derivatives: EHOMO, ELUMO, energy gap (ΔE),dipole moment (μ), hardness (η), softness (Ϭ), absolute electronegativity (χ), fractions for electron transferred (ΔN), the ionization potential (I), (TE) and total energy were calculated. The obtained results of all quinazoline derivatives (APQ,AAQ,andAYQ) show almost the same corrosion inhibition with excellent efficiency. Density function theory (DFT) was used to investigate the relationship between the molecular structures and inhibitory efficacies of three quinazoline derivatives. The results of the analysis and measurement of Egap values revealed that the compound AYQ had a modest Egap of 4.999 eV and that strong values of Egap suggest that it will be easier to remove one electron from the HOMO orbital and deposit it in the LUMO orbital

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Publication Date
Fri Mar 01 2024
Journal Name
Nano Biomedicine And Engineering
Silver Nanoparticles Synthesized by Cold Plasma as an Antibiofilm Agent against <i>Staphylococcus epidermidis</i> Isolated from Acne
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silver nanoparticle which synthesized by.

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Publication Date
Thu Sep 01 2022
Journal Name
Brazilian Journal Of Chemical Engineering
A computational study on the potential application of Ca12O12 cluster for sensing of fungicide molecule
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Density functional theory calculations are employed to investigate the impact of edifenphos molecule on the reactivity and electronic sensitivity of pure calcium oxide (CaO) nanocluster. The strong adsorption of edifenphos molecule on CaO nanocluster occurs by the sulfur head of the adsorbate, and the amount of the energy of this adsorption is around − 84.40 kcal/mol. The adsorption of edifenphos molecules results in a decrease in the values of Eg of CaO from 4.67 to 3.56 eV, as well as an increase in the electrical conductance. Moreover, the work function of CaO nanocluster is significantly affected, which changes the current of the field emission electron. Eventually, the recovery time is calculated around 99 ms at ambient temperature f

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Publication Date
Mon Jun 25 2018
Journal Name
International Journal Of Civil Engineering And Technology (ijciet)
CORROSION OF METAL CONSTRUCTION STRUCTURES
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The paper considers the main types of corrosion taking into account the direction of corrosion processes. The main parameters of metal building structures corrosion and factors that have a significant influence on these parameters are taken into account, which can influence the increase of such structures longevity. One of the main factors of corrosion rate determining is the humidity of air and dust deposited on surface from atmosphere at production emissions.

Publication Date
Sat Mar 23 2024
Journal Name
ســات الـتـربــويــة والـعـلمـيــة - كــليـــة التـربـيــة - الـجـامـعـة الـعـراقـيــة الــعـدد الـثــالــث والــعــشــرون - الـمـجـلـد الـثــالث - عـلـم الـنـفـس - آذار 2024 م
A review article: The Potential Role of Anemia in the Incidence of Schizophrenia
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Schizophrenia (ZP) is a common devastating cognitive disorder; however, the etiology of its incidence remains largely unclear yet. Although some evidence blames both environ ment and genetic factor as main drivers of ZP, but the clear mechanism of their effect elusive till now. Of interest, severe anemia conditions can lead to hypoxia in CNS which disturbs the normal structures and functions of some area in the brain resulting in abnormalities in the neurons communications and decrease synaptic plasticity. Additionally, modulation of cytoskeleton constituents is thought to participate to ZP development. Recently, it has been revealed that iron deficiency, which is the main cause of anemia, has a significant impact on the cytoskeleton

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Publication Date
Mon Aug 18 2025
Journal Name
Soil And Sediment Contamination: An International Journal
Remediation Prediction of Contaminated Soil with Crude Oil Using the Optimized Remediation Method for the Iraqi Environment
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Large quantities of petroleum-contaminated soil are generated with increased global energy consumption and crude oil production. This theoretical study evaluates the treatment of 1 ton of petroleum-contaminated soil using seven methods: incineration, physical washing, chemical washing, thermal pyrolysis, Fenton-oxidation-pyrolysis, the biological treatment, and asphaltenes. Data were based on experimental results from the Nahran Bin Omar oil lake in Basra Governorate, Iraq, (2019–2021). The methods were compared by waste generation, treatment cost, and duration. Results indicate that using petroleum-contaminated soil as a raw material for asphalt manufacturing is most beneficial since it is sold as a raw material. Incineration is faster a

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Publication Date
Tue Dec 01 2020
Journal Name
Baghdad Science Journal
Determination of Phosphodiesterase Type 5 Enzyme (PDE-5) Inhibitors and Analogues as Adulterants in Selected Herbal Products using Gas Chromatography–Electron Impact-Mass Spectrometer (GC-EI-MS)
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       Sildenafil, tadalafil, and vardenafil are phosphodiesterase type 5 enzyme (PDE-5) inhibitors used for the treatment of male erectile dysfunction. This present study aims to investigate 55 herbal products indicated for men’s sexual health from the Malaysian market for adulteration of PDE-5 inhibitors and analogues. The screening and identification of 20 PDE-5 inhibitors and analogues in herbal products of various forms (powder, capsules, tablets, and pastels) were conducted using gas chromatography–electron impact-mass spectrometer (GC-EI-MS). The analysis has shown that 19 herbal products were adulterated with PDE-5 inhibitors and analogues. Unique ion fragmentations and the presence of molecular

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Publication Date
Sat Feb 01 2025
Journal Name
مجلة واسط للعلوم الانسانية
Exploring Cultural and Personal Trauma in Heather Raffo’s Play Noura
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  The paper delves into the examination of trauma portrayals in Heather Raffo's “Noura” (2019). Raffo examines the challenges faced by two Iraqi women, Raffo and Maryam, in relation to parenthood following the capture of Iraq by “ISIS”. The paper is concerned with the various depictions of trauma that Raffo accomplishes in the text then delves in the way she cocooned her characters’ identity in order to recover their traumas. Initially, Noura is a trauma tale, illustrating the recurrent and repetitive nature of trauma from mother to daughter. The narrative reflects the interactions and dynamics between the mother and daughter and their function as substitutes for memory and recounting personal narratives. Moreover, examin

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Publication Date
Mon Dec 08 2025
Journal Name
Nursing Science Quarterly
Exploring the Relationship Between Nurses’ Spiritual Intelligence, Critical Thinking, and Moral Development in the Middle East
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The purpose of this study is to assess the level of moral development, spiritual intelligence, and critical thinking of nurses, and to see if there is a relationship between these constructs for them. A descriptive correlational design was used, with a sample of 102 nurses in Iran. The descriptive statistics and Pearson’s correlation were done on the survey results using SPSS (Version 24). The moral development level scores of the nurses were 34 ± 2.17, which is considered average, critical thinking was 25 ± 1.23, which is considered relatively high, and spiritual intelligence scores were 41 ± 2.75, which is considered relatively low. Both spiritual intelligence and critical thinking were positively correla

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Publication Date
Mon Oct 01 2018
Journal Name
Iraqi Journal Of Physics
Nano MgO catalyst for chemical depolymerization of polyethylene terephthalate (PET)
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This paper focuses firstly on the production of monomers bis (2-hydroxyethyl) terephthalate (BHET) and oligomers by using two different form of MgO light active and Nano Magnesium oxide with different weight ratio (0.15, 0.25 and 0.5) by using chemical recycling glass condenser at 190 ˚C. The second purpose is to study the effect of catalyst ratio, time of reaction and yield of products of the product. Elemental analysis for Carbon –Hydrogen and Nitrogen (CHN), differential scanning calorimetry (DSC), infrared spectroscopy (FTIR) and thermogravimetric analysis (TGA) have been investigated. Results indicated the catalytic activity was found to correlate with surface area; however, LA MgO has shown an exceptional activity, still it is h

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Publication Date
Sun Dec 13 2020
Journal Name
International Journal On Advanced Science, Engineering And Information Technology
Robust Approach of Optimal Control for DC Motor in Robotic Arm System using Matlab Environment
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Modern automation robotics have replaced many human workers in industrial factories around the globe. The robotic arms are used for several manufacturing applications, and their responses required optimal control. In this paper, a robust approach of optimal position control for a DC motor in the robotic arm system is proposed. The general component of the automation system is first introduced. The mathematical model and the corresponding transfer functions of a DC motor in the robotic arm system are presented.  The investigations of using DC motor in the robotic arm system without controller lead to poor system performance. Therefore, the analysis and design of a Proportional plus Integration plus Divertive (PID) controller is illustrated.

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