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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
Fri Dec 01 2023
Journal Name
International Society For The Study Of Vernacular Settlements
Evaluation of Sustainability Using LEED Rating Scales: The Bismayah New City in Baghdad, Iraq
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Publication Date
Sat Nov 10 2018
Journal Name
Iraqi National Journal Of Nursing Specialties
Effect of Maternal Age on the Mother and Neonatal health in Baghdad Maternity Hospitals
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Objectives: to compare health of mothers and neonatal among age groups, to find out the correlation between
age groups and mother and neonatal health.
Methodology: A descriptive study was carried out at delivery rooms of three teaching hospitals in Baghdad city
from Feb. 28th through May. 28th
, 2013. A purposive (non-probability) sample of 300 laboring women was selected
from delivery rooms categorized into three groups, group 1 (≤19) years, group 2 their age between (20-35) years
old and group 3 their age (≥35) years. The data were collected through the use of constructing questionnaire, an
interview technique with mothers and reviewing their medical records as means of data collection; The
questionnaire con

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Publication Date
Fri Mar 30 2018
Journal Name
International Journal Of Science And Research
The Effect of Age 0nLeptin Hormone and Some Biochemical Parameters in Patients Pre-Dialysis
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To evaluate impact the difference in stages ofage and related incidence of hemodialysis patients.Two hundred and fifty patients undergoing hemodialysis were collected from general hospital in Baghdad city /Iraq. The samples with renal failure before hemodialysis were divided into (138) male,( 112)female. The sera were separated from samples to physiological investigation. We found that renal failure was more predominant among the patients ages group ranging from (51-70) years old. The results shows A significant increase in the levels of urea, creatinine, in younger patients (≤ 30 years) when compared with older patients (>70 years). Furthermore a significant decrease in serum levels of total protein in patients in older patients (>7

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Publication Date
Fri Dec 22 2017
Journal Name
Pakistan Journal Of Biotechnology
THE ROLE OF HLA-DRB 1 ALLELE IN HYPOTHYROID PATIENTS WITH AND WITHOUT PERIODONTITIS
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Hypothyroidism is a frequent disorder in the general population, especially among women, is defined as adeficiency of thyroid activity that results from insufficient production or action of thyroid hormones leading to a totaldecrease of metabolic. Human leukocyte antigen is the most polymorphic genetic system in man. Genes of this regioninfluence susceptibility to certain diseases.Objectives: The purpose of the present study is to investigate the role of HLA-DRB1 genotyping in hypothyroidpatients with and without periodontitis. Sixty hypothyroid patients 30 of patients were with periodontitis and 30without periodontitis compare with 30 healthy subjects as control enrolled in this study. DNA was extracted fromblood samples, then HLA- genotyp

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Publication Date
Tue Oct 28 2025
Journal Name
Modern Sport
The effect of mental speed drills on some visual abilities in shish weapon players
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Achieving high achievement in the sport of fencing requires thinking, awareness and visual tracking, as visual tracking is one of the important visual abilities that a fencing player needs and is considered one of the special visual abilities as it contributes and helps in the correct motor, mental and mental performance and gives the fencing the ability to perfect and accomplished performance in training and competition. Where the research problem lies in the weak skill performance of the fencing players as a result of the weakness in possessing visual and mental abilities. The two researchers used the experimental method in a controlled manner (experimental and control groups) with a pre and post-test. The research community was identifie

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Publication Date
Wed Mar 18 2020
Journal Name
International Journal Of Research In Social Sciences And Humanities
THE DILEMMA AND RESISTANCE OF SALMA IN FADIA FAQIRA NOVEL MY NAME IS SALMA
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Publication Date
Thu Oct 01 2015
Journal Name
Journal Of Economics And Administrative Sciences
Analysis of the causal relationship between agricultural imports and some economic variables in Iraq
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Foreign trade receives a good deal of economists' attention for its active contribution to economic growth, and imports of goods and services that could not be produced locally constitute an important share of the local economy.  Agricultural imports constitute an important share of the total imports due to their role in fulfilling the needs of local markets; however, the agricultural sector in Iraq contributes no more than a limited share of the country's need, which has encouraged the import of a variety of fruits, vegetables and strategic crops and different types of red and white meat. For the sake of identifying the factors affecting the demand on agricultural imports in Iraq, the following factors has been analyzed: th

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Publication Date
Tue Feb 05 2019
Journal Name
Journal Of The College Of Education For Women
(Novels) Idiom , evolution and properties in the light of critic Shugaa Muslim Al-Aani
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A critics ,Shugaa Muslim Al-Aany, has specific critical principles in his branch
classifications for the type of the novel that is linked with its sources and what is adopted
of critical approaches and curriculums. The novel by its type as a literary one has
occupied Al-Any's critical importance very much ,he has divided it historically according
to its historical development ,the impact of dr.Abd Al-Muhassen Tha Badr's divisions on
Al-Any cannot hidden.
In his speech about the origin of novel and story art generally , Al-Any becomes
between the acknowledgement of the affect of Al-Mgma in rising of this art and denied its
affect at last. He has classified the novel also as a stylistic classification:(an impression

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Publication Date
Wed Mar 27 2013
Journal Name
Engineering And Technology Journal
Total and Matric Suction in Unsaturated Soil with the Existence of Different Salts Content
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Publication Date
Fri Dec 01 2023
Journal Name
Iop Conference Series: Earth And Environmental Science
Population Density of Bemisia tabaci on Sweet Pepper (Capsicum annuum) Varieties in the Greenhouse
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Abstract<p>We conducted an experiment in a greenhouse at the research station belonging to the Department of Plant Protection / Ministry of Agriculture, in Abu Ghraib area during the spring and autumn season 2022-2023, to study the population density of the whitefly on two varieties of sweet pepper plant (Charisma and Sierra Nevada). The experiment was laid out in a randomized complete block design “RCBD” with three replicates for each variety. The results showed that in spring season the population density of <italic>B. tabaci</italic> eggs and nymphs reached the peak in the last week of May, which where 2.667 and 4.444 individual / leaf, respectively while the population density </p> ... Show More
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