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HOMO-LUMO Energies and Geometrical Structures Effecton Corrosion Inhibition for Organic Compounds Predict by DFT and PM3 Methods
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A theoretical study on corrosion inhibitors was done by quantum calculations includes semi-empirical PM3 and Density Functional Theory (DFT) methods based on B3LYP/6311++G (2d,2P). Benzimidazole derivative (oxo(4- ((phenylcarbamothioyl) carbamoyl)phenyl) ammonio) oxonium (4NBP) and thiourea derivative 2-((4- bromobenzyl)thio) -1H-benzo[d] imidazole (2SB) were used as corrosion inhibitors and an essential quantum chemical parameters correlated with inhibition efficiency, EHOMO (highest occupied molecular orbital energy) and ELUMO (lowest molecular orbital energy). Other parameters are also studied like energy gap [ΔE (HOMO-LUMO)], electron affinity (EA), hardness (Δ), dipole moment (μ), softness (S), ionization potential (IE), absolute electron negativity (χ), and global electrophilicity index (ω) respectively. Mulliken population was also essential to determine a local reactivity by indicating reactive centers and identifyinga potential nucleophilic and electrophilic attacks sites. The adsorption of compounds is also discussedwith the bonds length, the angles, and tetrahedral of molecules. The 2SB best from 4NBP as corrosion inhibitors according to theoretical and experimental proving.Predicated.

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Publication Date
Thu Dec 09 2021
Journal Name
Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)
Cressa cretica Pharmacognosy, and Pharmacology (A review )
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Cressa cretica (Shuwwayl) is a halophytic that belongs to Convolvulaceae, naturally grown in the Middle East including Iraq. Traditionally the plant is used as a paste for sore treatment, also it is used for fever, jaundice, and other illness. Regarding nonclinical use it is used as goat, sheep, and camel feed also as an oil source. Flavonoids including quercetin, kamepferol, apigenin, and their glycosides, phenolic acid as chlorogenic acid, and phytosterols mainly ?–sitosterol were the most important phytochemicals that were detected in this halophyte. Crude ethanolic, methanolic extracts and ethyl acetate fraction of the areal parts were used in clinical studies and demonstrated various effe

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Publication Date
Thu Feb 23 2023
Journal Name
Chalcogenide Letters
Fabrication and evaluation of CuAlSe2/Si photodetector
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In this work, we have examined the spectral response of (p-CuAlSe2/n-Si) detector, (CAS) thin films deposited by thermal evaporation at RT with a thickness (450) nm, and annealing temperature at (473K) for 2 h. Optical transmission measurements displayed reasonably slight transmission besides higher absorbance trendy the visible region, energy gaps were observed by annealing, were found to be direct, and decreased with the effect of annealing. The extreme responsivity value arises at wavelength 459 nm, with improvement value of specific detectivity and quantum efficiency the annealing films be situated originate as greatest suitable aimed at numerous device application.

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Publication Date
Sat Oct 19 2024
Journal Name
European Journal Of Human Genetics
Epigenomic and phenotypic characterization of DEGCAGS syndrome
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Publication Date
Sun Jun 05 2016
Journal Name
Baghdad Science Journal
Early Baldness in Males and Hormonal Changes
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Androgenetic alopecia (AGA) or baldness is a common form of hair loss, affecting men more than women .The exact causes and pathogenesis of baldness are not well understood. A search for new drug is still needed. This study aims to evaluate the role of gonadotropins hormones in hair loss in males and its possibility to be used as treatment target. A total of 78 volunteers 43 with baldness and 35 healthy men were participated in this study. Their age ranged between (20-49) years, the studied groups were divided into two categories: firstly according to age (group1: 20-29 year), (group2: 30-39 year),and (group3: 40-49 year).Secondly according to baldness degree. LH and FSH were measured by using Enzyme Linked Immunosorbent Assay (ELISA) kits.

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Publication Date
Fri Feb 01 2019
Journal Name
Journal Of The College Of Education For Women
Baghdadin Drinks and Foods stuff Abbasyat Ages
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Baghdadin Drinks and Foods stuff Abbasyat Ages

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Publication Date
Sun Mar 06 2016
Journal Name
Baghdad Science Journal
Synthesis and Characterization of 3 - Substituted Coumarin
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The reaction of(2-oxo-2H-chromen-3-Carbonyl chloride)(k1) with hydrazine in boiling ethanol gives the hydrazide(K2).When compound (k2) reacts with various aromatic aldehydes ,the corres ponding Schiff bases(k3–k4) achieve new series of thiazotidines (k5–k6) and azetidinones (k7–k8) obtained from the reactions of appropriate Schiff bases with mercapto acetic acid and chloro acetyl chloride respectively. All the compounds are characterized by FT-IR,1H-NMR and GC-Ms.

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Publication Date
Thu Sep 28 2023
Journal Name
History Of Medicine
Pregnancy and left ventricular remodeling: Echocardiography parameter
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Profound maternal hemodynamic changes occur in order to satisfy the demands of a growing foetus. Early in pregnancy, peripheral vascular resistance (PVR) lowers, generating a considerable rise in cardiac output. Many parameters are employed for measuring the LV systolic function with different echocardiographic modalities including: M-Mode echocardiography, two-dimensional echocardiography, three-dimensional echocardiography, tissue doppler imaging.

Publication Date
Sat Jan 01 2022
Journal Name
Middle East African Journal Of Ophthalmology
Obstacles and challenges facing Iraqi women ophthalmologists
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Publication Date
Thu Jun 30 2011
Journal Name
Al-kindy College Medical Journal
Asymptomatic Bacteriuria in Pregnant and Diabetic Women
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Background: Asymptomatic bacteriuria (ASB) is
defined as isolation of a specified quantitative count
of bacteria in an appropriately collected urine
specimen from an individual without symptoms or
signs of urinary tract infection.
Aim of study: To evaluate the frequency of
bacteriuria according to age, pregnancy, and type II
diabetes mellitus in a sample of Iraqi women.
Patients and Methods: A total of 125 female
individuals were involved. The study participants
were classified into the following groups: nonpregnant
women with type II diabetes mellitus,
pregnant women with type II diabetes mellitus,
pregnant women without type II diabetes mellitus, and
apparently healthy non-pregnant women. Urine

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Publication Date
Tue Jun 30 2015
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Single Well Coning Problem and Applicable Solutions
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One of the most important and common problems in petroleum engineering; reservoir, and production engineering is coning; either water or gas coning. Almost 75% of the drilled wells worldwide contains this problem, and in Iraq water coning problem is much wider than the gas coning problem thus in this paper we try to clarify most of the reasons causing water coning and some of applicable solutions to avoid it using the simulation program (CMG Builder) to build a single well model considering an Iraqi well in north of Iraq black oil field with a bottom water drive, Coning was decreased by 57% by dividing into sub-layers (8) layers rather than (4) layers, also it was decreased (Coning) by 45% when perforation numbers and positions was chang

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