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GEOMETRY OPTIMIZATION OF COUPLING ALLIN -METFORMIN USING DFT/B3LYP MOLECULAR MODELLING TECHNIQUE: GEOMETRY OPTIMIZATION OF COUPLING ALLIN -METFORMIN USING DFT/B3LYP MOLECULAR MODELLING TECHNIQUE
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This researchpaper includes the incorporation of Alliin at various energy levels and angles 

With Metformin using Gaussian 09 and Gaussian view 06. Two computers were used in this work. Samples were generated to draw, integrate, simulate and measure the value of the potential energy surface by means of which the lowest energy value was (-1227.408au). The best correlation compound was achieved between Alliin and Metformin through the low energy values where the best place for metformin to bind was through (CH2-).  This is considered to be very useful for the industrial application of drugs.

This level of calculation was used for physical and quantum properties such as total energy, HOMO and LUMO orbitals energies, and power gap. Besides, the calculation of FT-IR spectra in the range 400-4000 cm-1 was calculated in addition to the essential vibrational frequencies and the intensity of the vibrational bands. Moreover, the chemical displacement of the 1H and 13C NMR of the compound in the ground state was studied.

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Publication Date
Mon Aug 01 2011
Journal Name
Journal Of Engineering
RHEOLOGICAL PROPERTIES OF IRAQI ASPHALT BINDERS MEASURED USING SUPERPAVE SYSTEM AND SHELL SOFTWARE
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The performance grading system (superpave) has provided means to incorporate binder characteristics with
pavement failure types. It’s a comprehensive system that relates climate, traffic conditions and aging with
critical pavement distress. The objective of this paper is to develop an improved asphalt binder grading
system for Iraq based on the principal of superpave. The country was divided into different zones according
to the highest and lowest temperature ranges and traffic loading. The Performance graded binder proposed
for each zone was compared with some States of USA that have same hot weather of Iraq by using Long
Term Pavement Performance (LTPP v3.1) software. Iraqi asphalt samples were tested using the Supe

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Publication Date
Sat Oct 29 2022
Journal Name
Current Trends In Geotechnical Engineering And Construction
Simulation Design and Performance of a Residential Complex Using Liquefied Petroleum Gas Network
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The population has been trying to use clean energy instead of combustion. The choice was to use liquefied petroleum gas (LPG) for domestic use, especially for cooking due to its advantages as a light gas, a lower cost, and clean energy. Residential complexes are supplied with liquefied petroleum gas for each housing unit, transported by pipes from LPG tanks to the equipment. This research aims to simulate the design and performance design of the LPG system in the building that is applied to a residential complex in Baghdad taken as a study case with eight buildings. The building has 11 floors, and each floor has four apartments. The design in this study has been done in two parts, part one is the design of an LPG system for one building, an

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Publication Date
Fri May 31 2019
Journal Name
Journal Of Engineering
Decolorization, Biodegradation and Detoxification of Reactive Blue Azo Dye Using Immobilized Mixed Cells
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Drastic threat to the natural system is caused by the uncontrolled release of synthetic pollutants, including azo dyes. This study centered on the decolorization and biodegradation of water soluble azo dye reactive blue (RB) in a batch mode sequential anaerobic-aerobic processes. A local sewage treatment plant was the source where activated sludge was collected to be used as non-adapted mixed culture with both free and the alginate immobilized cells for RB biodegradation. Under anaerobic conditions, the free and immobilized mixed cells were proved to completely decolorize 10 mg/ L of RB within 20 and 30 h, respectively. Alginate- immobilized mixed cells, resulted in 88%, 87%, and 87% maximum COD removals with samples con

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Publication Date
Thu Jun 30 2011
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
CRACKING ACTIVITY OF PREPARED Y-ZEOLITE CATALYST USING CUMENE ON FLUIDIZED BED REACTOR
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The catalytic activity of faujasite type NaY catalysts prepared from local clay (kaolin) with different Si/Al ratio was studied using cumene cracking as a model for catalytic cracking process in the temperature range of 450-525° C, weight hourly space velocity (WHSV) of 5-20 h1, particle size ≤75μm and atmospheric pressure. The catalytic activity was investigated using experimental laboratory plant scale of fluidized bed reactor.
It was found that the cumene conversion increases with increasing temperature and decreasing WHSV. At 525° C and WHSV 5 h-1, the conversion was 42.36 and 35.43 mol% for catalyst with 3.54 Si/Al ratio and Catalyst with 5.75 Si/Al ratio, respectively, while at 450° C and at the same WHSV, the conversion w

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Publication Date
Tue Sep 01 2020
Journal Name
Iraqi Journal Of Physics
Biosynthesis of silver nanoparticles using Thyme Vulgaris leaves extract and its Antibacterial activity
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In the current research, an eco-biosynthesis method for synthesizing silver nanoparticles (AgNPs) is reported using thymus vulgaris leaves (T. vulgaris) extracts. The optical and structural properties of the nanoparticles is determined using UV-visible, x-ray diffraction (XRD) and field emission scanning electron microscope (FESEM). In addition, the synthesis factors such as the temperature, the molar ratio of silver nitride and thymus vulgaris leaves extract have been investigated. The XRD pattern presented higher intensity for the five characteristic peaks of silver. FESEM images for same samples indicated that the particle size was distributed between 24-56 nm. In addition, it’s observed the formation of some aggregated Ag particles

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Publication Date
Fri Mar 01 2019
Journal Name
Optical Fiber Technology
Highly sensitive measurement of surrounding refractive index using tapered trench–assisted multicore fiber
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Publication Date
Thu Oct 21 2021
Journal Name
Iraqi Journal Of Agricultural Sciences
SYNTHESIS, CHARACTERIZATION AND CYCLAZATION OF PYRAN USING Ag2O NANOPARTICLE FROM NATURAL SOURCE “GINGER”
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This study was aimed to synthesis Ag2O nanoparticles (N.P.s) utilizing the Ginger plant (Zingiber officinale) extract. As catalysts for pyran derivatives formation employing a three-component coupling reaction among aromatic and aliphatic aldehydes, malononitrile, and dimedone. The nanoparticles exhibit robust catalytic activity with high productivity. Results revealed that Ag2O NPs improved various vital features, like higher yields, reaction time, simple chemical separation, catalytic economic efficiency, and quick process. This study aimed to cyclize heterocyclic compounds to provide new hetero compounds applying nano-oxides obtained from natural (unmanufactured) sources and used in several medical, pharmaceutical, and industrial

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Publication Date
Wed Sep 01 2010
Journal Name
Al-khwarizmi Engineering Journal
Extraction of Monocyclic Aromatic Hydrocarbons From Petroleum Products Using Sulfolane as Industrial Solvent
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            Liquid – liquid equilibria data were measured at 293.15 K for the pseudo ternary system (sulfolane + alkanol) + octane + toluene. It is observed that the selectivity of pure sulfolane increases with cosolvent methanol but decreases with increasing the chain length of hydrocarbon in 1-alkanol. The nonrandom two liquid (NRTL) model, UNIQUAC model and UNIFAC model were used to correlate the experimental data and to predict the phase composition of the systems studied. The calculation based on NRTL model gave a good representation of the experimental tie-line data for all systems studied. The agreement between the correlated and the experimental results was very good

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Publication Date
Thu Jan 30 2020
Journal Name
Journal Of Engineering
Advanced Oxidation of Antibiotics Polluted Water Using Titanium Dioxide in Solar Photocatalysis Reactor
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The aim of this study was to investigate antibiotic amoxicillin removal from syn­thetic pharmaceutical wastewater. Titanium dioxide (TiO2) was used in photocatalysis treatment method under natural solar irradiation in a tubular reactor. The photocatalytic removal efficiency was evaluated by the reduction in amoxicillin concentration. The effects of antibiotics concentration, TiO2 dose, irradiation time and the effect of pH were studied. The optimum conditions were found to be irradiation time 5 hr, catalyst dosage 0.6 g/L, flow rate 1 L/min and pH 5. The photocatalytic treatment was able to destruct the amoxicillin in 5 hr and induced an amoxicillin reduction of about 10% with 141.8 kJ/L accumulate

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Publication Date
Sun Jan 01 2017
Journal Name
Journal Of The College Of Languages (jcl)
The Impact of Using PowerPoint presentation on EFL Students’ Attendance, Achievement, and Engagement
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The current study examined the impact of using PowerPoint presentation on EFL student’s attendance, achievement and engagement. To achieve the aim of this study, three null hypotheses have been posed as follows: There is no statistically significant difference between the mean score of the experimental group attendance and that of the control one; there is no statistically significant difference between the mean score of the experimental group achievement and that of the control one, and there is no statistically significant difference between the mean score of the experimental group engagement and that of the control one. To verify a hypothesis, a sample of sixty students is chosen randomly from the third year, department of English,

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