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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 28 2026
Journal Name
Journal Of Baghdad College Of Dentistry
Assessment of serum Interleukin-1β and its correlation with periodontal health status during pregnancy
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Background: Pregnancy is a stressful state of increased inflammatory activity, and pregnancy – associated hormone changes can influence periodontal tissues, these inflammatory activity lead to production of inflammatory mediators. Interleukin 1 beta (IL-1β) is a potent pro-inflammatory cytokines that is consistently associated with periodontal diseases. This study was designed to determine the periodontal health status and detect the serum level of IL-1β in the healthy pregnant women at first, second and third trimester and compare it with healthy non pregnant women, and determine its correlation with different clinical periodontal parameters. M

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Publication Date
Sun May 01 2016
Journal Name
2016 Al-sadeq International Conference On Multidisciplinary In It And Communication Science And Applications (aic-mitcsa)
Review and performance comparison of VANET protocols: AODV, DSR, OLSR, DYMO, DSDV & ZRP
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Publication Date
Sun Dec 02 2018
Journal Name
Association Of Arab Universities Journal Of Engineering Sciences
Improvement of Domestic Wastewater Treated Effluent from Sequencing Batch Reactor Using Slow Sand Filtration
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The effluent quality improvement being discharged from wastewater treatment plants is essential to maintain an environment and healthy water resources. This study was carried out to evaluate the possibility of intermittent slow sand filtration as a promising tertiary treatment method for the sequencing batch reactor (SBR) effluent. Laboratory scale slow sand filter (SSF) of 1.5 UC and 0.1 m/h filtration rate, was used to study the process performance. It was found that SSF IS very efficient in oxidizing organic matter with COD removal efficiency up to 95%, also it is capable of removing considerable amounts of phosphate with 76% and turbidity with 87% removal efficiencies. Slow sand filter efficiently reduced the mass of suspended

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Publication Date
Fri Dec 23 2011
Journal Name
International Journal Of The Physical Sciences
Fast prediction of power transfer stability index based on radial basis function neural network
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Publication Date
Thu Oct 01 2015
Journal Name
International Journal Of Current Microbiology And Applied Sciences
Quantitative identification of phosphate using X-ray diffraction and Fourier transform infrared (FTIR) spectroscopy
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Inthisstudy,FourierTransformInfraredSpectrophotometry(FTIR),XRay Diffraction(XRD)andlossonignition(LOI),comparativelyemployedtoprovideaquick,relativelyinexpensiveandefficientmethodforidentifyingandquantifyingcalcitecontentofphosphateoresamplestakenfromAkashatsiteinIraq.Acomprehensivespectroscopicstudyofphosphate-calcitesystemwasreportedfirstintheMid-IRspectra(4004000cm-1)usingShimadzuIRAffinity-1,fordifferentcutsofphosphatefieldgradeswithsamplesbeneficiatedusingcalcinationandleachingwithorganicacidatdifferenttemperatures.Thenusingtheresultedspectratocreateacalibrationcurverelatesmaterialconcentrationstotheintensity(peaks)ofFTIRabsorbanceandappliesthiscalibrationtospecifyphosphate-calcitecontentinIraqicalcareousphosphateore.Theirpeakswereass

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Publication Date
Wed Jan 01 2014
Journal Name
International Journal Of Computer Applications
Mobile Position Estimation based on Three Angles of Arrival using an Interpolative Neural Network
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In this paper, the memorization capability of a multilayer interpolative neural network is exploited to estimate a mobile position based on three angles of arrival. The neural network is trained with ideal angles-position patterns distributed uniformly throughout the region. This approach is compared with two other analytical methods, the average-position method which relies on finding the average position of the vertices of the uncertainty triangular region and the optimal position method which relies on finding the nearest ideal angles-position pattern to the measured angles. Simulation results based on estimations of the mobile position of particles moving along a nonlinear path show that the interpolative neural network approach outperf

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Publication Date
Mon Dec 24 2018
Journal Name
Bulletin Of The Iraq Natural History Museum (p-issn: 1017-8678 , E-issn: 2311-9799)
OCCURRENCE AND REDESCRIPTION OF THRYSSA SETIROSTRIS (BROUSSONET, 1782) (CLUPIFORMES, ENGRAULIDAE) FROM IRAQI MARINE WATER
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    Nine fish specimens of Thryssa setirostris (Broussonet, 1782) were collected from the Arabian Gulf, during the period from July 2015 to April 2016. Because of the scarcity of this fish and overlapping and ambiguous of its taxonomic characters with other Thryssa spp., a detailed taxonomic study was conducted. The present study includes the most important meristic and morphometric characteristics.

 

    The mean of the total length of the specimens was 149.67 mm; dorsal fin consists of 12 rays, anal fin with 34-37 rays and pectoral fin with 12-13 rays; Gill rakers were 4 upper,1 medial an.10 lower. The most important character that isolates T. setiristis from

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Publication Date
Mon Aug 26 2024
Journal Name
Jbpml
Effect of Radiation on Blood Component and Hormones on Male Patient and Breast Cancer
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Background: The study's objective was to estimate the effects of radiation on testosterone-related hormones and blood components in prostate cancer patients. N Materials and Method: This study aims to investigate the effects of radiation on 20 male prostate cancer patients at the Middle Euphrates Oncology Centre. Blood samples were collected before and after radiation treatment, with a total dose of 60- 70 Gy, The blood parameters were analyzed. The hospital laboratory conducted the blood analysis using an analyzer (Diagon D-cell5D) to test blood components before and after radiation. Hormonal examinations included testosterone levels, using the VIDASR 30 for Multiparametric immunoassay system Results: The study assessed the socio-demogra

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Publication Date
Sun Dec 15 2019
Journal Name
Al-academy
Applications of Interior Space Design According to Shape Generation Systems: عبد الكريم علي حسين
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Treatises concerning analyzing the interior spaces multiplied and their directions varied, that some of them analyzed the interior space on the basis of the intellectual and philosophical affiliation or the historical period and others in the light of the concept and mechanisms of the shape. The researcher has not been able to find a research that dealt with analyzing the space within the systems of shape generation, thus it is possible to determine the research problem with the following question: to what extent is it possible to analyze the interior space based on systems of shape generation? As far as the importance of the research is concerned, it sheds light on five of the systems of the shape generation which are: Syntax, shape gra

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Publication Date
Wed Jan 01 2014
Journal Name
Journal Of The College Of Languages (jcl)
بزووتنةوةى (روانـــــطة) قؤناغيَكى نويَي شيعرى كوردى Rwanga Movement: a New Stage of Kurdish Poetry
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Rwanga (view) movement is a new Kurdish poetry movement. Some poets and modern storywriters published a manifest in 1970. They have made a group of changes in the content and appearance of Kurdish poetry. They were under the influence of western literature schools such as Surrealism, Dadaism and Existentialism. Likewise, the impact of the new Arabic literature that appeared by the end of 1960s on them was obvious as they were imitating such literatures. Nevertheless, the condition of Kurdistan at that time was in need of a new literature to express that new stage. Sherko Bekas was one of those poets who became the dynamo of the poetic movement in which the rebellion spirit was embodied in the modern way of dealing with culture, rhyme, rh

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