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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 Jan 15 2018
Journal Name
Scientific Reports
Tuning charge carrier transport and optical birefringence in liquid-crystalline thin films: A new design space for organic light-emitting diodes
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Abstract<p>Liquid-crystalline organic semiconductors exhibit unique properties that make them highly interesting for organic optoelectronic applications. Their optical and electrical anisotropies and the possibility to control the alignment of the liquid-crystalline semiconductor allow not only to optimize charge carrier transport, but to tune the optical property of organic thin-film devices as well. In this study, the molecular orientation in a liquid-crystalline semiconductor film is tuned by a novel blading process as well as by different annealing protocols. The altered alignment is verified by cross-polarized optical microscopy and spectroscopic ellipsometry. It is shown that a change in alignment of the </p> ... Show More
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Publication Date
Mon Feb 15 2021
Journal Name
Drug Delivery And Translational Research
Breast intraductal nanoformulations for treating ductal carcinoma in situ II: Dose de-escalation using a slow releasing/slow bioconverting prodrug strategy
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Publication Date
Mon Jan 01 2018
Journal Name
Journal Of The College Of Languages (jcl)
Estudio en la traducción del lenguaje de los horóscopos en la prensa del idioma español al árabe A study in translating the language of the horoscope in the press from Spanish into Arabic
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Resumen:

        El horóscopo que es una predicción deducida de la posición de los astros del sistema solar y de los signos de Zodiaco, intenta no sólo predecir el futuro, sino también influir en el comportamiento del lector, orientándolo para que actúe adecuadamente y la invitación a actuar ante ese futuro que se aconseja mediante imperativos, perífrasis y otros recursos lingüísticos. Los horóscopos se caracterizan por su gran popularidad que existen en periódico o revista en columnas enteras dedicadas al tema, en donde se detallan la influencia que tendrá el día o el mes de cada uno de los signos correspondientes al zodíaco, siempre teniendo en cuenta la posici

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Publication Date
Fri Dec 01 2023
Journal Name
Agbioforum
The Role of the Digital Economy, Business Synergy, and Trade Policies on Global Economic Prosperity in India and China
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The necessity of addressing global economic prosperity has garnered significant attention from recent studies and policymakers. This article analyses the effects of the digital economy, business synergies, and trade policies on the economic prosperity of China and India. The study examines the impact of political support on the digital economy, business synergies, trade policies, and global economic prosperity in China and India. The study collects data from prominent economists in India and China using questionnaires. The article utilised the SPSS-AMOS software to analyse the relationship between variables. The results showed that the digital economy, business synergies, and trade policies are positively linked to global economic prosperit

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Scopus
Publication Date
Wed Oct 10 2018
Journal Name
Bulletin Of The Iraq Natural History Museum (p-issn: 1017-8678 , E-issn: 2311-9799)
THE STATUS AND CONSERVATION OF THE VULNERABLE MARBLED TEAL MARMARONETTA ANGUSTIROSTRIS, MENETRIS (AVES-ANSERIFORMES) IN AL-DALMAJ WETLANDS, IRAQ.
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    This study is considered the first effort of its kind in Iraq and in the Middle East towards studying the Marbled Teal Marmaronetta angustirostris that was carried on in Hor Al-Dalmaj, southern Iraq. The findings of this effort illustrate its importance as it paves the way for further study and observation for the bird and this important wetland itself. This study tackles the all possible aspects of the ecological and biological statuses of Marbled Teal (Threatened –Vulnerable bird species – IUCN Redlist) by means of field surveys and systematic monitoring that were conducted along the four seasons over the years 2013-2014 in one of the ecologically important and prominent and poorly-known wetlands in the

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Publication Date
Wed Aug 30 2023
Journal Name
Iraqi Journal Of Science
Sedimentological, Mineralogical, and Geochemical characters of the Tigris River floodplain sediment in the Al-Alam area-Tikrit, Northern Iraq
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     The mineralogical investigation, geochemical analysis, and grain size calculation were carried out for floodplain sediment in the Tigris River to identify the properties of the sediment. The average values of the three main sediment classes, very fine sand, silt, and clay are 9.67, 62.53 and 27.80%, respectively. The silt size fraction was predominant. The classification and nomenclature of surface sediment types from the floodplain of the Tigris River are sandy-silt and mud, and they are the dominant sediment. Statistical parameters of grain size analysis refer to the average of the median values 3.74 Φ very fine sand; mean in average 6.16 Φ coarse silt; standard deviation evident by average 1.30 Φ poorly sorted, skewed; in

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Publication Date
Thu Jun 01 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
A Suggestion To Solve The Problem Of Asynchronous File Uploads In ASP.NET Without The Need To Use Ajax Technology
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The file upload is one of the controls of the tool bar of the VisualStodio.NET, but it can’t be used with Ajax technology (It's almost impossible today to be involved in web application design or development and not be aware of Ajax) because the file upload control don’t support Ajax technology that the execution of the instruction is not completed or the (object is not set) message will appear, although the essential need to use this control with Ajax to gain the asynchronous data transfer that supplied by Ajax, because the file upload don’t work without the Postback operation from the client to the server, and the main idea of Ajax technology is working without Postback operation to the server. After the deep resea

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Publication Date
Sat Dec 01 2018
Journal Name
Acta Facultatis Medicae Naissensis
The Factors Influencing the Risk of Perforation in Patients with Peptic Ulcers: A Cross-Sectional Study from Central Iraq
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Abstract<p>The aim of this study was to evaluate the risk factors that influence the perforation, regardless of the presence of H. pylori infection, in a sample of Iraqi patients with peptic ulcers, admitted to Al-Kindy Teaching Hospital. A total of 90 patients who had perforated peptic ulcer participated in this study. The diagnosis was based on history, clinical examination, laboratory and radiological investigations and was confirmed intraoperatively. A number of probable risk factors for perforation were investigated. Eighty participants were males and 10 were females (male to female ratio 8:1). About 42.2% of patients were in their fifth decade of life. Forty-nine (54.4%) patients were asymptomatic be</p> ... Show More
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Publication Date
Wed Sep 01 2010
Journal Name
Al-khwarizmi Engineering Journal
Prediction of the Scale Removal Rate in Heat Exchanger Piping System Using the Analogies between Mass and Momentum Transfer
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The possibility of predicting the mass transfer controlled CaCO3 scale removal   rate has been investigated.

Experiments were carried out using chelating agents as a cleaning solution at different time and Reynolds’s number. The results of CaCO3 scale removal or (mass transfer rate) (as it is the controlling process) are compared with proposed model of prandtl’s and Taylor particularly based on the concept of analogy among momentum and mass transfer.

Correlation for the variation of Sherwood number ( or mass transfer rate ) with Reynolds’s number have been obtained .

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Publication Date
Fri Jul 01 2022
Journal Name
Iraqi Journal Of Science
The Effect of Expected Water Shortage on Net Primary Productivity and Rain Use Efficiency in the Tigris-Euphrates Basin
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Tigris and Euphrates Rivers, originating in Turkey and cutting through both Syria and Iraq, have experienced drastic reductions in water flows in recent years due to increasing water demand, hydro-engineering projects, and climate change. The decline in water flows has led to decreased agricultural yields. Iraq reported its worst cereal harvest in a decade in 2009, indicating that with a decline in water supplies, a potential food security problem emerges. This study, therefore, addressed the effect of water availability on (1) Net Primary Productivity (NPP) and (2) Rain Use Efficiency (RUE) in the Tigris-Euphrates (T-E) basin. Results displayed that NPP increases significantly from the arid and semi-arid sites in the south to the wetter

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