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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 Jan 01 2020
Journal Name
Research Journal Of Pharmacy And Technology
Electro-polymerization of poly eugenol on ti and ti alloy dental implant treatment by micro arc oxidation using as anti-corrosion and anti-microbial
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In this work, electrochemical process was presented to polymerized eugenol on Gr.2 and Gr.5 titanium alloys before and after treated by Micro Arc Oxidation (MAO), where Gr.2 is commercial pure titanium and Gr.5 is Ti-6Al-4V dental alloys. The deposited layers were characterized by scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDS), X-ray diffraction (XRD), and Fourier transform infrared spectroscopy (FTIR). The adhesion strength of polymeric thin-film was estimation by using pull-off adhesion test and the result was the adhesion strength of PE was (1.23 MPa) on Gr.2 before MAO and increase to (1.98 MPa) on Gr.2 after MAO treatment. The corrosion behavior of Gr.2 and Gr.5 alloy in artificial saliva environment at

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Publication Date
Sun Oct 30 2022
Journal Name
Iraqi Journal Of Science
Electropolymerization of [N-(1, 3-thiazo-2-yl)] maleamic acid and their Nanocomposite with Graphene Oxide as Protective Coating against Corrosion and Antibacterial Action
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     Poly [N-(1, 3-thiazo-2yl)]maleamic acid synthesized from corresponding monomer N-(1, 3-thiazo-2yl)maleamic acid (NTM) by using the process of electrochemical polymerization in aqueous solution at room temperature. The structure of the polymeric layer generated on the surface of (Low Carbon Steel (L.C.S)) (working electrode) was investigated by Fourier Transmission Infrared [FT-IR] and a scanning electron microscope [SEM]. The anticorrosion ability of a polymeric layer on low carbon steel (L.C.S) was investigated using a method of electrochemical polarization at temperatures ranging from (293 to 323) K, in a 3.50 percent NaCl solution. The activation parameters, both kinetic and thermodynamic for the L.C.S corrosion process were

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Publication Date
Sun Feb 03 2019
Journal Name
Iraqi Journal Of Physics
Synthesis and optical properties of CdS quantum dots via paraffin liquid and oleic acid
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In this study, an easy, low-cost, green, and environmentally
friendlier reagents have been used to prepare CdS QDs, in chemical
reaction method by mixed different ratio of CdO and sulfur in
paraffin liquid as solvent and oleic acid as the reacting media in
different concentration to get the optimum condition of the reaction
to formation CdS QDs. The results give an indication that the
behavior is at small concentration of 4ml of the oleic acid is best
concentration which give CdS QDs of small about to 9.23 nm with
nano fiber configuration.

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Publication Date
Tue Nov 01 2022
Journal Name
Chemical Methodologies
Study of Optical and Structural Properties of CdTe Quantum Dots Capped with 3MPA Using Hydrothermal Method
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Quantum dots (QDs) can be defined as nanoparticles (NPs) in which the movement of charge carriers is restricted in all directions. CdTe QDs are one of the most important semiconducting crystals among other various types where it has a direct energy gap of about 1.53 eV. The aim of this study is to exaine the optical and structural properties of the 3MPA capped CdTe QDs. The preparation method was based on the work of Ncapayi et al. for preparing 3MPA CdTe QDs, and hen, the same way was treated as by Ahmed et al. via hydrothermal method by using an autoclave at the same temperature but at a different reaction time. The direct optical energy gap of CdTe QDs is between 2.29 eV and 2.50 eV. The FTIR results confirmed the covalent bonding betwee

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Publication Date
Fri Sep 30 2022
Journal Name
College Of Islamic Sciences
Principles of war and jihad to protect the environment and civilians in times of war in Islamic Sharia
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Research summary

Islam protects the environment and civilians in peace and war, and in international humanitarian law protection of the environment and civilians in international conflicts only. As for wars and internal conflicts, it is not within the jurisdiction of international humanitarian law. In Islamic law, the principles of protecting the environment and civilians are fixed in all wars and conflicts, whether internal or external, local. or international.

Islam laid down moral principles in war, including:

- Preserving the environment and avoiding corruption in the land by burning trees and killing animals unnecessarily.

- Not to be exposed to non-combatants, including women, boys, the elderly, the disa

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Publication Date
Wed Jun 29 2022
Journal Name
College Of Islamic Sciences
Principles of war and jihad to protect the environment and civilians in times of war in Islamic Sharia
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The use of destructive weapons in wars without restrictions and controls, which eat green and dry land, pollute the environment and cause genocide, has become the problem of the times.

International conventions for the protection of the environment during armed conflicts are characterized by generality, ambiguity, and open to interpretation by the participating states in the agreement, and each state interprets these texts to serve its interests, but the Islamic Sharia stipulates the prohibition of the use of these comprehensive destructive weapons in an unambiguous manner, As stated in the Holy Quran:

                

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Publication Date
Sun Dec 29 2019
Journal Name
Iraqi Journal Of Science
Investigation the potential role of some medicinal plants extracts in regulating serum lipid profile in female albino rats
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Strong evidence showed that many medicinal plants have the potential to reduce hyperlipidemia disease. The aim of this study was to determine the hypolipidemic activity of aqueous extracts of Fucus vesiculosus, Coleus forskohlii, Curcuma longa L., Rosmarinus officinalis L., Camellia sinensis L. and Melissa officinalis L. on lipid profile in serum taken from the blood of rats. Fifty-seven female albino rats were divided into 19 groups, each with three rats, that were treated orally with an aqueous plant extract in three different doses, except the control group which was treated with normal saline only. The chemical compositions of these extracts were analyzed using High Performance Liquid Chromatograph

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Publication Date
Thu Nov 30 2023
Journal Name
Iraqi Journal Of Science
The Potential Regulatory Role of miR-378 in the Expression of Bone Morphogenetic Protein-15 in Infertile Women with Hyperprolactinemia (HPL)
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     The aim of this study is to investigate the relationship between microRNA 378 and BMP15 gene expression levels in blood samples collected from 50 healthy fertile females as controls and 50 hyperprolactinemia infertile females by quantitative real-time polymerase chain reaction (RT-qPCR). Specific primers were designed for this purpose based on the sequences of microRNA 378 and BMP15 retrieved from NCBI and designed by primer 3 software. The result assessing the expression level of BMP15 in hyperprolactinemia (HPL) was 0.220, while the control group's fold change value was 1.000. The HPL group showed downregulation in the expression of the BMP15 gene. While the fold expression values of the miRNA378 gene in the hyperprolactinemia

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Publication Date
Fri Mar 27 2020
Journal Name
Iraqi Journal Of Science
Study of T-norms and Quantum Logic Functions on BL-algebra and Their Relationships to the Classical Probability Structures
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This paper is concerned with the study of the T-norms and the quantum logic functions on BL-algebra, respectively, along with their association with the classical probability space. The proposed constructions depend on demonstrating each type of the T-norms with respect to the basic probability of binary operation. On the other hand, we showed each quantum logic function with respect to some binary operations in probability space, such as intersection, union, and symmetric difference. Finally, we demonstrated the main results that explain the relationships among the T-norms and quantum logic functions. In order to show those relations and their related properties, different examples were built.

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Publication Date
Tue Jan 01 2019
Journal Name
Advances On Computational Intelligence In Energy
A Theoretical Framework for Big Data Analytics Based on Computational Intelligent Algorithms with the Potential to Reduce Energy Consumption
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Within the framework of big data, energy issues are highly significant. Despite the significance of energy, theoretical studies focusing primarily on the issue of energy within big data analytics in relation to computational intelligent algorithms are scarce. The purpose of this study is to explore the theoretical aspects of energy issues in big data analytics in relation to computational intelligent algorithms since this is critical in exploring the emperica aspects of big data. In this chapter, we present a theoretical study of energy issues related to applications of computational intelligent algorithms in big data analytics. This work highlights that big data analytics using computational intelligent algorithms generates a very high amo

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