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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
Sat Jun 27 2020
Journal Name
Iraqi Journal Of Science
Influence of Laser Energy and Annealing on Structural and Optical Properties of CdS Films Prepared by Laser Induced Plasma
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The current study was achieved on the effects of laser energy and annealing temperature on x-ray structural and optical properties, such as the UV-Visible spectra of cadmium sulfide (CdS). The films were prepared using pules laser deposition technique (PLD) under vacuum at a pressure of 2.5×10-2 mbar with different laser energies (500-800 mJ) and annealing at a temperature of 473K. X-ray diffraction patterns and intensity curves for the CdS showed that the formation of CdS multi-crystallization films at all laser energies. The optical properties of the films were studied and the variables affecting them were investigated in relation to laser energy and changes in temperature.

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Publication Date
Thu Mar 30 2017
Journal Name
Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)
AComparative Qualitative and Quantitative Study of Anthraquinone Derivatives in the Roots of Rheum ribes and Rheum emodi by HPLC
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High performance liquid chromatography was applied for the separation and identification of four antharquinone derivatives, aloe emodin, emodin, chrysophanol and physcion. The separation was carried out using Eurospher 100, C18 column (4.6 mm i.d. x 250 mm, 5 µm) under the following conditions: acetonitile (solvent A) and water: acetic acid (99.9: 0.1 v/v, pH 3.5)( solvent B) as a mobile phase with isocratic elution with 30% solvent B at flow rate 0.8 ml/min. The detection wavelength was set at 254 nm. The four antharquinone derivatives were isolated from the Iraqi rhubarb, Rheum ribes root by preparative TLC, their structures were identified by 1H NMR and used as standards for HPLC analysis. The percentages of alo

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Publication Date
Tue Mar 12 2019
Journal Name
Hematology Reports
Studying Anemia of Chronic Disease and Iron Deficiency in Patients with Rheumatoid Arthritis by Iron Status and Circulating Hepcidin
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Anemia of chronic disease (ACD) and iron deficiency anemia (IDA) are the two most important types of anemia in rheumatoid arthritis (RA). Functional iron deficiency in ACD can be attributed to overexpression of the main iron regulatory hormone hepcidin leading to diversion of iron from the circulation into storage sites resulting in iron-restricted erythropoiesis. The aim is to investigate the role of circulating hepcidin and to uncover the frequency of IDA in RA. The study included 51 patients with RA. Complete blood counts, serum iron, total iron binding capacity, ferritin, and hepcidin- 25 were assessed. ACD was found in 37.3% of patients, IDA in 11.8%, and combined (ACD/IDA) in 17.6%. Serum hepcidin was higher in ACD than in con

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Publication Date
Fri Sep 30 2011
Journal Name
Al-khwarizmi Engineering Journal
Coagulation-Flocculation process to treat Pulp and Paper Mill Wastewater by Fenugreek Mucilage Coupled with Alum and Polyaluminum Chloride
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The wastewater arising from pulp and paper mills is highly polluted and has to be treated before discharged into rivers. Coagulation-flocculation process using natural polymers has grown rapidly in wastewater treatment. In this work, the performance of alum and Polyaluminum Chloride (PACl) when used alone and when coupled with Fenugreek mucilage on the treatment of pulp and paper mill wastewater were studied. The experiments were carried out in jar tests with alum, PACl and Fenugreek mucilage dosages range of 50-2000 mg/L, rapid mixing at 200 rpm for 2 min, followed by slow mixing at 40 rpm for 15 min and settling time of 30 min. The effectiveness of Fenugreek mucilage was measured by the reduction of turbidity and Chemical Oxygen Demand

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Publication Date
Mon May 25 2020
Journal Name
International Journal Of Psychosocial Rehabilitation
Training for Anaerobic Differential Threshold Stand and its Impact on Lactic Acid Concentration and LDH Enzyme and VO2MaX and Cortisol Hormone for Free 400 m men-runners
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The study aimed at designing a training program by using training for the anaerobic differential threshold stand and the effects of those trainings on the variables of (Concentration of Lactic Acid and LDH Enzyme, VO2 MaX and Cortisol Hormone). The Researchers used the experimental program with one-group style. Also, they used a sample with (8) men-players in a (free 400 m men-runners) and they used many instruments and procedures, most notably the training-program prepared for 10 weeks and for 3 training units weekly, (70-90 min) for each unit. They used the training intensity from 85-100% of the player's ability. After finishing the training program and doing some pre-tests and post-tests then statistically checking the results, the resea

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Publication Date
Wed Jan 30 2019
Journal Name
Journal Of The College Of Education For Women
Social and psychological problems for students of the faculties of Engineering and Education for Girls in Baghdad University
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The subject of youth care of important issues in view of what constitutes the importance
to the development of societies in general and as much as enjoy young people in any society
are good psychological health and agree psychosocial be healthy to be effective to invest their
energies and their potential for the progress of that society and development of the social
aspects and economic. The universities of the most important educational institutions that
provide care for young people, they are as well as providing information and expertise
necessary to prepare young people for life and the development of mental abilities, they are
different activities that will satisfy their needs physical, psychological, social and

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Publication Date
Wed Jan 24 2018
Journal Name
Iraqi Journal Of Market Research And Consumer Protection
FOOD APPLICATIONS FOR OIL AND CHIA SEEDS SALVIA HISPANICA: FOOD APPLICATIONS FOR OIL AND CHIA SEEDS SALVIA HISPANICA
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The extracted oil from the Chia seeds white and black were used in the manufacture of certain foods such as mayonnaise. The results of the sensory evaluation showed that the product was acceptable except for the flavor of white chia seed oil. The seeds were fully used in the manufacture of the nutella. The results of the sensory evaluation were encouraging the use of the extracted oil from the black chia seeds in the production of the nutella except the spread property. Chia seeds were also used in the manufacture of pudding. The results of the sensory evaluation showed an excellent and acceptable product of black chia seeds oil can be obtained, while the white seeds did not receive the acceptance in terms of color and flavor.

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Publication Date
Sun Feb 05 2017
Journal Name
Iraqi Journal Of Market Research And Consumer Protection
STUDY OF OPTIMUM CONDITIONS FOR REMOVAL OF HEAVY METAL ELEMENTS BY LOCALLY ISOLATED FUNGI Aspergillus niger.: STUDY OF OPTIMUM CONDITIONS FOR REMOVAL OF HEAVY METAL ELEMENTS BY LOCALLY ISOLATED FUNGI Aspergillus niger.
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The best optimum temperature for the isolate was 30○C while the pH for the maximum mineral removal was 6. The best primary mineral removal was 100mg/L, while the maximum removal for all minerals was obtained after 8 hrs, and the maximum removal efficiency was obtained after 24 hrs. The results have proved that the best aeration for maximum removal was obtained at rotation speed of 150 rpm/ minute. Inoculums of 5ml/ 100ml which contained 106 cell/ ml showed maximum removal for the isolate.

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Publication Date
Sun Jul 09 2023
Journal Name
Journal Of Engineering
Deep Desulfurization of Diesel Fuel by Guard Bed Adsorption of Activated Carbon and Locally Prepared Cu-Y Zeolite
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Desulfurization of a simulated diesel fuel by different adsorbents was studied in a fixed-bed adsorption process operated at ambient temperature and pressure.  Three different adsorption beds were used, commercial activated carbon, Cu-Y zeolite, and layered bed of 15wt% activated carbon followed by Cu-Y zeolite.Initially Y-zeolite was prepared from Iraqi rice husk and then impregnated with copper. In general, the adsorbents tested for total sulfur adsorption capacity at break through followed the order Ac/Cu-Y zeolite>Cu-Y zeolite>Ac. The best adsorbent, Ac/Cu-Y zeolite is capable of producing more than 30 cm3 of simulated diesel fuel per gram of adsorbent with a weighted average content of 5 ppm-S, while Cu-Y zeolite producing of

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Publication Date
Wed Aug 30 2023
Journal Name
Iraqi Journal Of Science
Adsorption of Azo Dye Onto TiO2 Nanoparticles Prepared by a Novel Green Method: Isotherm and Thermodynamic Study
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     The current study examined the use of Sansevieria plant leaves extract as an environmentally acceptable, inexpensive, and safe green approach for creating titanium dioxide nanoparticles (NPs). Batch studies have been used to test the particles' capacity to bind to the azo dye congo red (CR), which has been adsorbed from its aqueous solution. The effects of many factors, including the weight of TiO2 NPs, the contact duration to reach equilibrium, the concentration of CR, temperature, and pH, have been investigated. Both the Freundlich and Langmuir models were used to analyze experimental results. According to the high values of the Freundlich model's correlation coefficient R2, it is discovered that th

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