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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
Baghdad Science Journal
On Existence of Prime K-Tuples Conjecture for Positive Proportion of Admissible K-Tuples
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Number theorists believe that primes play a central role in Number theory and that solving problems related to primes could lead to the resolution of many other unsolved conjectures, including the prime k-tuples conjecture. This paper aims to demonstrate the existence of this conjecture for admissible k-tuples in a positive proportion. The authors achieved this by refining the methods of “Goldston, Pintz and Yildirim” and “James Maynard” for studying bounded gaps between primes and prime k-tuples. These refinements enabled to overcome the previous limitations and restrictions and to show that for a positive proportion of admissible k-tuples, there is the existence of the prime k-tuples conjecture holding for each “k”. The sig

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Publication Date
Tue Jan 11 2022
Journal Name
Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)
Rheological Investigation of Lipid Polymer Hybrid Nanocarriers for Oral Delivery of Felodipine (Conference Paper )#
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The rheological behavior among factors that are present in Stokes law can be used to control the stability of the colloidal dispersion system. The felodipine lipid polymer hybrid nanocarriers  (LPHNs) is an interesting colloidal dispersion system that is used for rheological characteristic analysis. The LPHNs compose of polymeric components and lipids. This research aims to prepare oral felodipine LPHNs to investigate the effect of independent variables on the rheological behavior of the nanosystem. The microwave-based technique was used to prepare felodipine LPHNs (H1-H9) successfully. All the formulations enter the characterization process for particle size and PDI to ascertain the colloidal properties of the prepared nanosystem t

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Publication Date
Thu May 18 2023
Journal Name
Journal Of Engineering
Design and Analysis of Electro-Hydraulic Servo System for Speed Control of Hydraulic Motor
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In this study, the electro-hydraulic servo system for speed control of fixed displacement hydraulic motor using proportional valve and (PID) controller is investigated theoretically ,experimentally and simulation . The theoretical part includes the derivation of the nonlinear mathematical model equation of (valve – motor ) combination system and the derivation of the transfer function for the complete hydraulic system , the stability test of the system during the operation through the transfer function using MATLAB package
V7.1 have been done. An experimental part includes design and built hydraulic test rig and simple PID controller .The best PID gains have been calculated experimentally and simulation, speed control performance te

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Publication Date
Tue Jan 01 2019
Journal Name
Spe Europec Featured At 81st Eage Conference And Exhibition
Development of Artificial Neural Networks and Multiple Regression Analysis for Estimating of Formation Permeability
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Publication Date
Fri Sep 24 2021
Journal Name
Indonesian Journal Of Chemistry
Molecular Imprinted of Nylon 6 for Selective Separation of Procaine by Solid-Phase Extraction
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The study is based on the selective binding ability of the drug compound procaine (PRO) on a surface imprinted with nylon 6 (N6) polymer. Physical characterization of the polymer template was performed by X-ray diffraction and DSC thermal analysis. The imprinted polymer showed a high adsorption capacity to trap procaine (237 µg/g) and excellent recognition ability with an imprinted factor equal to 3.2. The method was applied to an extraction column simulating a solid-phase extraction to separate the drug compound in the presence of tinoxicam and nucleosimide separately and in a mixture of them with a recovery rate more than the presence of tinoxicam and nucleosimide separately and in a mixture of them with a recovery rate of more t

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Publication Date
Sat Jun 30 2018
Journal Name
Iraqi Journal Of Medical Sciences
CLINICAL UTILITY OF URINARY ANTIGEN TEST AND MOLECULAR METHOD FOR DETECTION OF LEGIONELLA PNEUMOPHILA
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Background: Legionella pneumophila (L. pneumophila) is gram-negative bacterium, which causes Legionnaires’ disease as well as Pontiac fever. Objective: To determine the frequency of Legionella pneumophila in pneumonic patients, to determine the clinical utility of diagnosing Legionella pneumonia by urinary antigen testing (LPUAT) in terms of sensitivity and specificity, to compares the results obtained from patients by urinary antigen test with q Real Time PCR (RT PCR) using serum samples and to determine the frequency of serogroup 1 and other serogroups of L. pneumophila. Methods: A total of 100 pneumonic patients (community acquired pneumonia) were enrolled in this study during a period between October 2016 to April 2017; 92 sam

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Publication Date
Mon Jan 01 2018
Journal Name
International Journal Of Agricultural And Statistical Sciences
Response of growth and yield of zea maize for foliar spraying with humic acid
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Publication Date
Fri Mar 15 2019
Journal Name
Journal Of The College Of Education For Women
Evaluation of Altruistic Behavior for Kindergartens Children from their Mothers & Teachers Point of view
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Abstract

 This study is aim to :

  • Put a standard to evaluate the altruistic behavior in kindergarten children.
  • Know level of the altruistic behavior in the kindergarten children according to their mother "s points of view.
  • Know the level of the altruistic behavior in the kindergarten children according to their teacher "s points of view.
  • The differences in the level of altruistic behavior in kindergarten children between their mothers & teachers points of view.

      The sample consists of (120) children of kindergarten children in Baghdad. The researcher has built a to

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Publication Date
Sat Oct 13 2018
Journal Name
International Research Journal Of Pharmacy
KNOWLEDGE, ATTITUDE, AND PRACTICES OF MOTHERS TOWARD STARTING OF COMPLEMENTARY FEEDING FOR THEIR INFANTS
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Publication Date
Sat Sep 01 2007
Journal Name
Al-khwarizmi Engineering Journal
Study of Mechanical Characteristics for Polymer Composite Reinforced by Particles of (Al2O3) or (Al)
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A particulate polymer composite material was prepared by reinforcing with the Aluminum Oxide (Al2O3) or Aluminum (Al) metallic particles with a particle size of (30) µm to an unsaturated Polyester Resin with a weight fraction of (5%, 10%, 15%, 20%).

Tensile test results showed the maximum value of elastic modulus reached (2400MPa.)  in the case of reinforcing with (Al) particles with weight fraction (20%) and (1500 MPa.)  in the case of reinforcing with (Al2O3) particles of the same weight fraction.

  When the impact and the flexural strength tests were done, the results showed that flexural strength (F.S), maximum shear stress (τmax), impact strength

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