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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
Wed Dec 14 2016
Journal Name
Journal Of Baghdad College Of Dentistry
Correlation between Periodontal Health Status and Salivary Matrix Metalloproteinase-9 Levels in Smoker and Non-Smoker Chronic Periodontitis Patients (A Comparative Study)
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Background: Periodontal diseases are inflammatory diseases affecting the supporting tissues of the teeth. One of the leading environmental factors that are closely related not only to the risk but also to the prognosis of periodontitis is smoking. This study aimed to evaluate the influence of smoking on periodontal health status and to measure the levels of matrix metalloproteinase-9 in smokers and nonsmokers chronic periodontitis patients, also it aimed to test the correlation between the levels of matrix metalloproteinase-9 and the clinical periodontal parameters. Materials and Methods: Five milliliters samples of un-stimulated whole saliva and full-mouth clinical periodontal recordings (plaque index, gingival index, bleeding on probing,

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Publication Date
Fri Apr 30 2021
Journal Name
Al-kindy College Medical Journal
Immunological aspects of Alpha 1 Antitrypsin in COVID-19 infection among the Populace and Pregnant Women: Alpha 1 Antitrypsin and COVID-19
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Since the COVID-19 pandemic alarm was made by the severe acute respiratory syndrome (SARS)-coronavirus (CoV) 2, several institutions and agencies have pursued to clarify the viral virulence and infectivity. The fast propagation of this virus leads to an unprecedented rise in the number of cases worldwide. COVID-19 virus is exceptionally contagious that spreads through droplets, respiratory secretions, and direct contact. The enveloped, single-stranded RNA virus has a specific envelop region called (S) region encoding (S protein) that specifically binds to the host cell receptor. Viral infection requires receptors' participation on the host cell membrane's surface, a  key- step for the viral invasion of susceptible cells.

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Publication Date
Wed Mar 01 2017
Journal Name
International Journal Of Science And Research (ijsr)
The Effect of the Five Fingers Strategy and Traffic Signals Strategy on Physics First Grade Intermediate School Students' Achievement and Personal Intelligence
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The aim of this research is to know the effect of two strategies of active learning, the five fingers and traffic signals, on the first grade intermediate level student's achievement and personal intelligence. The research sample was chosen from the Al- Mansour intermediate school for boys, including (101) students divided into three groups chosen randomly which represented the first experimental group (32) students, the second experimental group (34) students, and the control group (33) students. To achieve the research aims, the research prepared a physics achievement test containing (26) items, and a personal intelligence test containing (20) items. The psychometric characteristics, of the tests were checked up the following results were

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Publication Date
Fri Sep 01 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Synthesis, Characterization and Studying the Enzyme Activity of New Benzothiazole Schiff Base Ligand (HL) and Its Complexes with Some of Metal Ions
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Publication Date
Mon Sep 25 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Synthesis, Characterization and Studying the Enzyme Activity of New Benzothiazole Schiff Base Ligand (HL) and Its Complexes with Some of Metal Ions
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    A new heterocyclic Schiff bases ligand (HL) derived from condensation of 2-Amino-4-methylbenzothiazole with 4-Diethylaminosalicylaldehyde have been synthesized and characterized by (FTIR & UV.Vis) spectroscopies, (1H & 13C)NMR spectra, mass spectrum, elemental microanalysis (C,H,N,S). Metal complexes with Co(II), Ni(II), Cu(II), Zn(II) and Cd(II) ions have been also synthesized and characterized by (FTIR & UV.Vis) spectroscopies, flame atomic absorption, molar conductivity measurements and magnetic susceptibility. These studies indicate that the mole ratio (L:M) is (2:1) for Co(II) complex and (1:1) for other complexes. The spectral results indicate that the ligand coordinates with met

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Publication Date
Wed Jun 27 2018
Journal Name
Iraqi Journal Of Science
Proximate Composition, Mineral Contents and the effects of Sodium Sulphate Salts on Emulsion Capacity and Stability of Mushroom Species obtained from Nigeria
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The proximate composition, mineral contents and the effects of sodium sulphate salts on emulsion capacity (EC) and stability (ES) of mushroom species M1 – Lentinus subnudus Berk, M2 – Chlorophyllum molybditis, M3 – Volvariella esculenta, M4 – Coprinus tramentarius, M5 – Pleurotus ostreatus Jacq, M6 – Termitomyces microcarpus, and M7 – Pleurotus pulmonarius obtained from Nigeria were investigated using standard methods for analyses.  The mean of some of the results is:  Crude protein:  9.1±0.15 -13.80±0.15%, Crude fibre: 4.15±0.02 – 7.08±0.59%, Na: 177±2.56 –

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Publication Date
Thu Jan 01 2015
Journal Name
Al–bahith Al–a'alami
Identify trends of media students about satellite channels specialized and its role in the satisfaction of their wishes and develop their abilities
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This search is field research, which aims to explore the trends of students in media department toward specialized Satellite Channels and identify the knowledge capacity and its role in the development of their knowledge’s, represented by watching those channels as well as media students' habits exposed by those channels. As to the public is a key element in the process and substantive communication, the Sociological studies information on that article information is not complete its work, but that he was receiving from before receiving, and send every piece of information content in order to achieve a certain goal, therefore, is the future of receiving such information in order to achieve a particular goal, which is

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Publication Date
Tue Jan 30 2024
Journal Name
Iraqi Journal Of Science
Evaluate the Levels of Serum Eotaxin-1, Myelin Basic Protein, and Some Immunological and Biochemical Markers in Iraqi Patients with Multiple Sclerosis
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     The central nervous system (CNS) disease known as multiple sclerosis (MS) is essentially an inflammatory demyelinating condition with a variety of clinical manifestations and variable histological findings. A number of immunological and biochemical markers may alter MS, which is also characterized as an autoimmune illness. MS patients (n = 100) were divided into two groups: newly diagnosed (n = 42) and patients with ongoing treatments (n = 58). These groups were compared to healthy subjects (n = 55); the mean age ±SD was (30±8.46 years), (37±8.06 years), and (31±8.73 years) for MS newly diagnosed patients, patients with ongoing treatments, and healthy subjects, respectively. Studies for serum levels of eotaxin-1, myelin basi

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Publication Date
Wed Dec 30 2020
Journal Name
Iraqi Journal Of Science
A Comparison of Mishrif Formation Characteristics in Kumait and Dujaila Oil Fields, Southern Iraq, Using Seismic Inversion Method and Petrophysical Properties Analysis
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A comparison was conducted between two wells, Kt-1and Kt-2, in Kumait and two wells, Du-1and Du-2, in Dujaila oil fields that belong to Mishrif formation, southern Iraq.  Seismic inversion method was employed to detect oil and water reservoirs. The comparison included the behavior of acoustic impedance (AI) of fluids and the lithology with related petrophysical properties. The values of water saturation, Shale volume (Vsh), and effective porosity were compared between the AI,  two fluid reservoirs. It was found that the AI value for the oil reservoir unit is relatively low to medium, whereas it was relatively medium for the water reservoir. Effective porosity value showed, in general, an increase in the oil reservoir and

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Publication Date
Wed Feb 22 2023
Journal Name
Iraqi Journal Of Science
The Acute and Chronic Toxicity of Copper on The Behavioral Responses and Hematological Parameters of Freshwater Fish, Common Carp (Cyprinus carpio L.)
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The present study was conducted to examine toxicological effects of copper sulfate (Cu) in common carp fish (Cyprinus carpio L.). The LC50 (median lethal concentrations) of copper on Cyprinus carpio were 3.64, 3.36, 3.04, 2.65 mg/L respectively. In general, behavioral responses of the fishes exposed to copper included uncontrolled swimming, erratic movements, loss of balance, swam near the water surface with sudden jerky movements. Haematological parameters such, red blood cells (RBC), white blood cells (WBC), haemoglobin (Hb), Packed cell volume (PCV), mean cell volume (MCV) mean cell haemoglobin (MCH), and mean corpuscular hemoglobin concentration (MCHC) were studied. The obtained results indicated that the (RBC) and (WBC) have increas

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