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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
Mon Aug 01 2022
Journal Name
Water, Air And Soil Pollution
Cladophora Algae Modified with CuO Nanoparticles for Tetracycline Removal from Aqueous Solutions
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Modified algae with nano copper oxide (CuO) were used as adsorption media to remove tetracycline (TEC) from aqueous solutions. Functional groups, morphology, structure, and percentages of surfactants before and after adsorption were characterised through Fourier-transform infrared (FTIR), X-ray diffraction (XRD), scanning electron microscopy (SEM), and energy-dispersive spectroscopy (EDS). Several variables, including pH, connection time, dosage, initial concentrations, and temperature, were controlled to obtain the optimum condition. Thermodynamic studies, adsorption isotherm, and kinetics models were examined to describe and recognise the type of interactions involved. Resultantly, the best operation conditions were at pH 7, contact time

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Publication Date
Fri Jan 01 2021
Journal Name
Agrosystems, Geosciences & Environment
Cover crop influence on soil water dynamics for a corn–soybean rotation
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Abstract<p>Crop production is reduced by insufficient and/or excess soil water, which can significantly decrease plant growth and development. Therefore, conservation management practices such as cover crops (CCs) are used to optimize soil water dynamics, since CCs can conserve soil water. The objective of this study was to determine the effects of CCs on soil water dynamics on a corn (<italic>Zea mays</italic> L.)–soybean [<italic>Glycine max</italic> (L.) Merr.] rotation at three soil depths over 3 yr. The study was conducted at the Chariton County Cover Crop Soil Health Research and Demonstration Farm (CCSH) in Missouri. Initial CC establishment occurred in 2012. Volumetric soil water </p> ... Show More
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Publication Date
Mon Jan 01 2024
Journal Name
Baghdad Science Journal
Artificial Neural Network and Latent Semantic Analysis for Adverse Drug Reaction Detection
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Adverse drug reactions (ADR) are important information for verifying the view of the patient on a particular drug. Regular user comments and reviews have been considered during the data collection process to extract ADR mentions, when the user reported a side effect after taking a specific medication. In the literature, most researchers focused on machine learning techniques to detect ADR. These methods train the classification model using annotated medical review data. Yet, there are still many challenging issues that face ADR extraction, especially the accuracy of detection. The main aim of this study is to propose LSA with ANN classifiers for ADR detection. The findings show the effectiveness of utilizing LSA with ANN in extracting AD

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Publication Date
Wed Mar 01 2023
Journal Name
Results In Engineering
Low-cost autonomous car level 2: Design and implementation for conventional vehicles
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Publication Date
Mon Mar 01 2021
Journal Name
Iraqi Journal Of Physics
Linear and Non-Linear Optical Properties for Organic Semiconductor (CuPc) Thin Films
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Thin films of CuPc of various thicknesses (150,300 and 450) nm have been deposited using pulsed laser deposition technique at room temperature. The study showed that the spectra of the optical absorption of the thin films of the CuPc  are two bands of absorption one in the visible region at about 635 nm, referred to as Q-band, and the second in ultra-violet region where B-band is located at 330 nm. CuPc thin films were found to have direct band gap with values around (1.81 and 3.14 (eV respectively. The vibrational studies were carried out using Fourier transform infrared spectroscopy (FT-IR). Finally, From open and closed aperture Z-scan data non-linear absorption coefficient and non-linear refractive index have been calculated res

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Publication Date
Sat Jan 02 2021
Journal Name
Journal Of The College Of Languages (jcl)
Practical Steps For Literal Translation: گــام¬های عـملی یک ترجــمهء حرفه¬ای
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The present paper, practical methods of professional translation, discusses the most important methods to achieve an accurate effective translation from the source language text  to the equivalent target language text.

The present study suggests that practical translation like any literary activity is of six main stages that follow sequential order to achieve an accurate translation: (choosing the foreign text to be translated, the author of the text permission, the text translation, considering the title contextual meaning, reviewing the text translation, and finally finding a good publisher).

چکیده

پژوهش حاضر که با عنوان گام­های عملی یک ترجمهء حر

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Publication Date
Sat Dec 01 2018
Journal Name
Indonesian Journal Of Electrical Engineering And Computer Science
An Energy-Aware and Load-balancing Routing scheme for Wireless Sensor Networks
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<p>Energy and memory limitations are considerable constraints of sensor nodes in wireless sensor networks (WSNs). The limited energy supplied to network nodes causes WSNs to face crucial functional limitations. Therefore, the problem of limited energy resource on sensor nodes can only be addressed by using them efficiently. In this research work, an energy-balancing routing scheme for in-network data aggregation is presented. This scheme is referred to as Energy-aware and load-Balancing Routing scheme for Data Aggregation (hereinafter referred to as EBR-DA). The EBRDA aims to provide an energy efficient multiple-hop routing to the destination on the basis of the quality of the links between the source and destination. In

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Publication Date
Sat Jan 01 2022
Journal Name
Computers, Materials &amp; Continua
An Optimal Method for Supply Chain Logistics Management Based on Neural Network
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Publication Date
Fri Jan 01 2021
Journal Name
Ieee Access
IFFT-Based Microwave Non-Destructive Testing for Delamination Detection and Thickness Estimation
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Publication Date
Thu Aug 31 2023
Journal Name
Journal Européen Des Systèmes Automatisés​
An IoT and Machine Learning-Based Predictive Maintenance System for Electrical Motors
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The rise of Industry 4.0 and smart manufacturing has highlighted the importance of utilizing intelligent manufacturing techniques, tools, and methods, including predictive maintenance. This feature allows for the early identification of potential issues with machinery, preventing them from reaching critical stages. This paper proposes an intelligent predictive maintenance system for industrial equipment monitoring. The system integrates Industrial IoT, MQTT messaging and machine learning algorithms. Vibration, current and temperature sensors collect real-time data from electrical motors which is analyzed using five ML models to detect anomalies and predict failures, enabling proactive maintenance. The MQTT protocol is used for efficient com

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