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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
Sat Apr 05 2025
Journal Name
2025 Ieee 4th International Conference On Computing And Machine Intelligence (icmi)
From Pixels to Diagnosis: AI-Powered CNN for Pneumonia Detection
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Publication Date
Thu Dec 01 2022
Journal Name
Neuroscience Informatics
Epileptic EEG activity detection for children using entropy-based biomarkers
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Publication Date
Fri Apr 01 2022
Journal Name
Baghdad Science Journal
An Evolutionary Algorithm for Solving Academic Courses Timetable Scheduling Problem
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Scheduling Timetables for courses in the big departments in the universities is a very hard problem and is often be solved by many previous works although results are partially optimal. This work implements the principle of an evolutionary algorithm by using genetic theories to solve the timetabling problem to get a random and full optimal timetable with the ability to generate a multi-solution timetable for each stage in the collage. The major idea is to generate course timetables automatically while discovering the area of constraints to get an optimal and flexible schedule with no redundancy through the change of a viable course timetable. The main contribution in this work is indicated by increasing the flexibility of generating opti

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Publication Date
Sat Jul 09 2022
Journal Name
Wireless Communications And Mobile Computing
An Optimized Approach for Industrial IoT Based on Edge Computing
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The Internet of Things (IoT) is an information network that connects gadgets and sensors to allow new autonomous tasks. The Industrial Internet of Things (IIoT) refers to the integration of IoT with industrial applications. Some vital infrastructures, such as water delivery networks, use IIoT. The scattered topology of IIoT and resource limits of edge computing provide new difficulties to traditional data storage, transport, and security protection with the rapid expansion of the IIoT. In this paper, a recovery mechanism to recover the edge network failure is proposed by considering repair cost and computational demands. The NP-hard problem was divided into interdependent major and minor problems that could be solved in polynomial t

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Publication Date
Sat Jul 01 2017
Journal Name
Energy Procedia
Epoxy/Silicone Rubber Blends for Voltage Insulators and Capacitors Applications
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Publication Date
Thu Aug 01 2024
Journal Name
Smart Agricultural Technology
Smart fertilizer technologies: An environmental impact assessment for sustainable agriculture
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The global food supply heavily depends on utilizing fertilizers to meet production goals. The adverse impacts of traditional fertilization practices on the environment have necessitated the exploration of new alternatives in the form of smart fertilizer technologies (SFTs). This review seeks to categorize SFTs, which are slow and controlled-release Fertilizers (SCRFs), nano fertilizers, and biological fertilizers, and describes their operational principles. It examines the environmental implications of conventional fertilizers and outlines the attributes of SFTs that effectively address these concerns. The findings demonstrate a pronounced environmental advantage of SFTs, including enhanced crop yields, minimized nutrient loss, improved nut

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Publication Date
Sat Jan 19 2019
Journal Name
Artificial Intelligence Review
Survey on supervised machine learning techniques for automatic text classification
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Publication Date
Tue Dec 01 2015
Journal Name
Chemical Engineering Science
Airlift bioreactor for biological applications with microbubble mediated transport processes
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Publication Date
Fri Jul 12 2024
Journal Name
Aaps Pharmscitech
Nanosuspension-Based Repaglinide Fast-Dissolving Buccal Film for Dissolution Enhancement
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Drug solubility and dissolution remain a significant challenge in pharmaceutical formulations. This study aimed to formulate and evaluate repanglinide (RPG) nanosuspension-based buccal fast-dissolving films (BDFs) for dissolution enhancement. RPG nanosuspension was prepared by the antisolvent-precipitation method using multiple hydrophilic polymers, including soluplus®, polyvinyl alcohol, polyvinyl pyrrolidine, poloxamers, and hydroxyl propyl methyl cellulose. The nanosuspension was then directly loaded into BDFs using the solvent casting technique. Twelve formulas were prepared with a particle size range of 81.6-1389 nm and PDI 0.002-1 for the different polymers. Nanosuspensions prepared with soluplus showed a favored mean particle size o

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Publication Date
Mon Feb 01 2021
Journal Name
International Journal Of Electrical And Computer Engineering (ijece)
OFDM PAPR reduction for image transmission using improved tone reservation
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High peak to average power ration (PAPR) in orthogonal frequency division multiplexing (OFDM) is an important problem, which increase the cost and complexity of high power amplifiers. One of the techniques used to reduce the PAPR in OFDM system is the tone reservation method (TR). In our work we propose a modified tone reservation method to decrease the PAPR with low complexity compared with the conventional TR method by process the high and low amplitudes at the same time. An image of size 128×128 is used as a source of data that transmitted using OFDM system. The proposed method decrease the PAPR by 2dB compared with conventional method with keeping the performance unchanged. The performance of the proposed method is tested with

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Scopus (8)
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