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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
Thu May 02 2024
Journal Name
Iraqi Journal Of Applied Physic
Photosensitivity of Nb2O5/Si Thin Films Produced via DC Reactive Sputtering at Different Substrate Temperatures
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This study thoroughly investigates the potential of niobium oxide (Nb2O5) thin films as UV-A photodetectors. The films were precisely fabricated using dc reactive magnetron sputtering on Si(100) and quartz substrates, maintaining a consistent power output of 50W while varying substrate temperatures. The dominant presence of hexagonal crystal structure Nb2O5 in the films was confirmed. An increased particle diameter at 150°C substrate temperature and a reduced Nb content at higher substrate temperatures were revealed. A distinct band gap with high UV sensitivity at 350 nm was determined. Remarkably, films sputtered using 50W displayed the highest photosensitivity at 514.89%. These outstanding optoelectronic properties highlight Nb2O5 thin f

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Publication Date
Mon Jun 30 2025
Journal Name
Basrah Journal Of Agricultural Sciences
Diesel Engine Efficiency under Varying Loads and Engine Oil Contaminated with Safe levels of Glycol
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Although allowable amounts of glycol contamination in diesel engine oil, no research has been conducted on how these levels and varying loads affect engine performance. The research used a four-stroke diesel engine to investigate the effect of different glycol contamination levels (0, 120, and 220 ppm) under two engine loads (4.5 and 9 kW). Brake specific fuel consumption, brake thermal efficiency, friction power, and exhaust gas temperature were measured to determine the engine performance. The experiment used the factorial arrangement in a completely randomized design (CRD) with three replicates. Increasing the contamination levels from 0 to 120 and then to 220 ppm under constant engine load significantly increased brake specific fuel con

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Publication Date
Tue Jan 08 2019
Journal Name
Iraqi Journal Of Physics
Effect of Argon and oxygen pressure on Zn magnetron plasma produced by RF power supply
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In this work, the plasma parameters (electron temperature and
electron density) were determined by optical emission spectroscopy
(OES) produced by the RF magnetron Zn plasma produced by
oxygen and argon at different working pressure. The spectrum was
recorded by spectrometer supplied with CCD camera, computer and
NIST standard of neutral and ionic lines of Zn, argon and oxygen.
The effects of pressure on plasma parameters were studied and a
comparison between the two gasses was made.

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Publication Date
Wed Mar 10 2021
Journal Name
Baghdad Science Journal
Preparation Adhesive Material Reinforced of Graphite Particles and Study Electrical and Mechanical and Thermal Properties
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The physical, mechanical, electrical and thermal properties containing (Viscosity, curing, adhesion force, Tensile strength, Lap shear strength, Resistively, Electrical conductivity and flammability) of adhesive material that prepared from Nitrocellulose reinforced with graphite particles and aluminum streat. A comparison is made between the properties of adhesive material with varying percentage of graphite powder (0%, 25%, 30%, 35%, 40%) to find out the effect of reinforcement on the adhesive material. The ability of property an electrical was studied through the measurement of conductivity a function of temperature varying. The results of comparison have clearly shown that the increasing of conten

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Publication Date
Sat Jan 01 2022
Journal Name
Indonesian Journal Of Electrical Engineering And Computer Science
Construct an efficient distributed denial of service attack detection system based on data mining techniques
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<span>Distributed denial-of-service (DDoS) attack is bluster to network security that purpose at exhausted the networks with malicious traffic. Although several techniques have been designed for DDoS attack detection, intrusion detection system (IDS) It has a great role in protecting the network system and has the ability to collect and analyze data from various network sources to discover any unauthorized access. The goal of IDS is to detect malicious traffic and defend the system against any fraudulent activity or illegal traffic. Therefore, IDS monitors outgoing and incoming network traffic. This paper contains a based intrusion detection system for DDoS attack, and has the ability to detect the attack intelligently, dynami

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Publication Date
Fri Jan 15 2021
Journal Name
Plant Archives
ISOLATION AND IDENTIFICATION OF GBS BACTERIA FROM MASTITIS BY CAMP TEST AND LANCEFIELD’S SEROLOGICAL GROUPING
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Mastitis is an udder tissue inflammation which has infected various species of animals. It happens through several types of pathogenic bacteria, particularly Streptococcus agalactiae. GBS is a leading cause of cow mastitis. In our sample, 9.52% of Streptococcus agalactiae were isolated which were collected from bovine mastic milk and identified by biochemical tests such as catalase, oxidase, Production of indole, fermentation of sugar, an examination of antibiotic sensitivity, CAMP test and group kits of Lancefield. The results showed that all Streptococcus agalactiae isolate was diagnosed by CAMP test by the appearance of the arrowhead in blood agar and by the appearance of visible agglutination on a card in the serological grouping kit of

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Publication Date
Fri Aug 22 2025
Journal Name
Journal Of Baghdad College Of Dentistry
Teeth Displacement and Palatal Adaptation of Autoclave Cured acrylic resin with Various Palates and Investments.
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Background: The denture base inaccuracies during processing negatively influence the retention and stability of finished complete denture. The aims of this study were to evaluate teeth movement and palatal adaptation of autoclave cured denture bases and their relationship with palatal depths and investments. Materials and methods: A nightly maxillary complete dentures prepared, processed and organized to be tested as follows: 1. Processing methods: water bath and autoclave with both fast and slow cycles. 2. Palatal depth: shallow, medium and deep. 3. Investing medium: stone and silicone. For every finished denture, two measurements were done: first: teeth movement by attaching metallic reference screws on the right and left centrals, first

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Publication Date
Thu Jun 01 2017
Journal Name
Journal Of Al-nahrain University Science
Synthesis and Biological Activity Study of New Some Schiff Bases Derived From D-Erythroascorbic Acid
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Publication Date
Tue Dec 05 2017
Journal Name
International Journal Of Science And Research (ijsr)
Multi Response Optimization of Submerged Arc Welding Using Taguchi Fuzzy Logic Based on Utility Theory
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Publication Date
Tue Jun 01 2021
Journal Name
Iop Conference Series: Earth And Environmental Science
Performance Evaluation of Al-Karkh Water Treatment Plant Using Model-driven and Data-Driven Models
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Abstract<p>There is a great operational risk to control the day-to-day management in water treatment plants, so water companies are looking for solutions to predict how the treatment processes may be improved due to the increased pressure to remain competitive. This study focused on the mathematical modeling of water treatment processes with the primary motivation to provide tools that can be used to predict the performance of the treatment to enable better control of uncertainty and risk. This research included choosing the most important variables affecting quality standards using the correlation test. According to this test, it was found that the important parameters of raw water: Total Hardn</p> ... Show More
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