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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
Wed May 25 2022
Journal Name
Iraqi Journal Of Science
The Dynamics of the Aquatic Food Chain System in the Contaminated Environment
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     In this paper, the aquatic food chain model, consisting of Phytoplankton, Zooplankton, and Fish, in the contaminated environment is proposed and studied. Modified Leslie–Gower model with Holling type IV functional response are used to describe the growth of Fish and the food transition throughout the food chain, respectively. The toxic substance affects directly the Phytoplankton and indirectly the other species. The local stability analysis of all possible equilibrium points is done. The persistence conditions of the model are established. The basin of attraction for each point is specified using the Lyapunov function. Bifurcation analysis near the coexistence equilibrium point is investigated. Detecting the existence of chao

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Publication Date
Sat Sep 02 2017
Journal Name
Studies In History And Archaeology
Chemical industries in Tlemcen in the Islamic Middle Ages
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Publication Date
Tue Dec 30 2008
Journal Name
Al-kindy College Medical Journal
Evaluation of the Potential Role of Serum Selenium in Diabetic Patients
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Background: The altered status of some essential trace elements observed in diabetes could have deleterious influences on the health of the diabetics. Objectives: To estimate and study the potential role of serum Selenium in type 1, type 2 diabetics and healthy subjects; and its relation with lipid profile and glycemic index. Methods: A case control designed study was carried out at the National Diabetes Center (NDC) / Al-Mustansiria University; on a total of 94 participants formed of 32 type 1 diabetics, 32 type 2 diabetics and 30 healthy control participants. Data collected about age, sex and BMI; also, blood samples examined for FPG, HbA1C, serum total cholesterol, HDL cholesterol, non-HDL cholesterol, serum triglyceride and sera were

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Publication Date
Fri Jun 24 2022
Journal Name
Iraqi Journal Of Science
Potential Using of Mixed Microalgae in the Bioremediation of Domestic Effluents
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Microalgae widely used for bioremediation of inorganic (NH4and PO4) nutrients as single isolates. This study aims to use a mix microalgae isolated from Dijlah river for bioremediation of municipal waste water .The experiments had been start with two different concentrations of nutrients. NH4-N values were 23.4 and 31.7mg/l, phosphorus PO4-P 6.7and 10.7 mg/ l and BOD5 were 66 and 83 mg/l. both cycles of treatment showed complete removal for NH 4-N and PO4-P levels after treatment were 1.7 and 0.7 mg/l for both of treatment cycle .Biological oxygen demand reduced to lowest value were18.9 in 2nd cycle while in 1st cycle of treatment reduced to21.3mg/l.The results showed that mix microalgae have the ability to remove nutrients and organic po

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Publication Date
Mon Jan 30 2023
Journal Name
Iraqi Journal Of Science
Synthesis, Characterization of Some Thiourea Derivatives Based on 4-Methoxybenzoyl Chloride as Antioxidants and Study of Molecular Docking
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     Ten new thiourea derivatives 1-10 were prepared in this work using a two-step process that involved reacting 4-methoxybenzoyl chloride with KSCN to afford 4-methoxybenzoyl isothiocyanate. This was followed by reaction with various amines (primary amines, secondary amines, and diamines) to give the aforementioned title products 1-10. These products were characterized by FT-IR, 1H NMR and 13C NMR spectroscopy. Using the DPPH scavenging method, the antioxidant activity of thiourea products was investigated, and derivative 8 had the greatest antioxidant activity in comparison to the other derivatives. Moreover, molecular dockin

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Publication Date
Sun Jan 20 2019
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Evaluate the Rate of Pollution in Soil using Simulink Environment
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       In this paper we design a Simulink model which can be evaluate the concentration of Copper, Lead, Zinc, Cadmium, Cobalt, Nickel, Crum and Iron. So, this model would be a method to determine the contamination levels of these metals with the potential for this contamination sources with their impact. The aim of using Simulink environment is to solve differential equations individually and as given data in parallel with analytical mathematics trends. In general, mathematical models of the spread heavy metals in soil are modeled and solve to predict the behavior of the system under different conditions.

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Publication Date
Mon Jan 01 2024
Journal Name
E3s Web Of Conferences
Analytical Comparison of Leading Sustainability Systems in the Iraqi Environment
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Over the last two decades, several sustainability assessment methods have developed as key accelerators for the development and improvement of sustainable industrial buildings. Some of these systems, like as LEED or BREEAM, are considered international, whereas others, such as Pearl Rating Systems (PRS), are local. Although they all share similar goals, they can lead to the construction of green buildings or the improvement of the efficiency of existing conventional buildings. Each technique has its structure, certification process, and weighting norms. The inequalities have prompted various questions about whether global assessment systems appropriately consider the country’s national settings. This study aims to compare the Pear

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Publication Date
Sat Feb 01 2020
Journal Name
Journal Of Economics And Administrative Sciences
Reflection of the service encounter environment in enhancing customer satisfaction
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Because of the fierce competition between service organizations on the one hand and the increasing demands of customers on the other. Therefore, these organizations sought to distinguish their service by taking care of all aspects. One of these important aspects is the service encounter environment and its reflection on customer emotions, so we choose the current research to clarify the importance and impact on customer satisfaction, the problem of research is how the interest of Iraqi restaurants in the service encounter environment and how to care about its elements and whether this interest is sufficient to reflect the satisfaction of the customer. the goal of the current research was to clarify how much the application of the

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Publication Date
Fri Sep 01 2023
Journal Name
Journal Of Optics
Structural and optical properties of C60-ZnO thin films synthesized by spray pyrolysis technique with plasma treatment as antibacterial activity
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Spray pyrolysis technique was used to make Carbon60-Zinc oxide (C60-ZnO) thin films, and chemical, structural, antibacterial, and optical characterizations regarding such nanocomposite have been done prior to and following treatment. Fullerene peaks in C60-ZnO thin films are identical and appear at the same angles. Following the treatment of the plasma, the existence regarding fullerene peaks in the thin films investigated suggests that the crystallographic quality related to C60-ZnO thin films has enhanced. Following plasma treatment, field emission scanning electron microscopy (FESEM) images regarding a C60-ZnO thin film indicate that both zinc oxide and fullerene particles had shrunk in the size and have an even distribution. In addition

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Publication Date
Fri Jun 03 2022
Journal Name
International Journal Of Health Sciences
Corrosion risk assessment of the oil flow line in Southern Iraq
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The risk assessment for three pipelines belonging to the Basra Oil Company (X1, X2, X3), to develop an appropriate risk mitigation plan for each pipeline to address all high risks. Corrosion risks were assessed using a 5 * 5 matrix. Now, the risk assessment for X1 showed that the POF for internal corrosion is 5, which means that its risk is high due to salinity and the presence of CO, H2S and POF for external corrosion is 1 less than the corrosion, while for Flowline X2 the probability of internal corrosion is 4 and external is 4 because there is no Cathodic protection applied due to CO2, H2S and Flowline X3 have 8 leaks due to internal corrosion so the hazard rating was very high 5 and could be due to salinity, CO2, fluid flow rate

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