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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
Sun Mar 07 2010
Journal Name
Baghdad Science Journal
Study of the properties of Ru-isotopes using the proton-neutron interacting boson model (IBM-2)
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The proton-neutron interacting boson model (IBM-2) has been used to make a schematic study of the Ruthenium ( ) isotopes of mass region around with and . For each isotope of the values of the IBM-2 Hamiltonian parameters, which yield an acceptable results for excitation energies in comparison with those of experimental data, have been determined. Fixed values of the effective charges ( ) and of the proton and neutron g factors ( and ) have been chosen for all isotopes under study. The calculated electric quadrupole moments of state, transitions, the magnetic dipole moments transitions and mixing ratios are in reasonable agreement with the experimental data.

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Publication Date
Thu Mar 01 2018
Journal Name
Journal Of Engineering
Improvement of the Water Use Efficiency and Yield of Eggplant by Using Subsurface Water Retention Technology
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Sustainable crop production in a coarse soil texture is challenging due to high water permeability and low soil water holding capacity. In this paper, subsurface water retention technology (SWRT) through impermeable polyethylene membranes was placed at depth 35 cm below ground surface and within the root zone to evaluate and compare the impact of these membranes and control treatment (without using the membranes) on yield and water use efficiency of eggplant inside the greenhouse. The study was conducted in Al-Fahamah Township, Baghdad, Iraq during spring growing season 2017. Results demonstrated the yield and water use efficiencies were 3.483 kg/m2 and 5.653 kg/m3, respectively for SWRT treatment p

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Publication Date
Wed Apr 29 2020
Journal Name
Indian Journal Of Forensic Medicine & Toxicology
The Reliability of Orthodontic Treatment, According to the Needs of Patients Using the Dental Aesthetic Index
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Abstract Objectives: Malocclusion was and remains one of the most common problems which affects the psyche and social status of the individual, so the estimation of the malocclusion severity and needs a percentage of orthodontic treatment of Iraqi patients is the aim of this study. Method: A randomly selected 150 pairs of study models (48 male and 102 female) were involved in this study for patients attending an orthodontic clinic at College of Dentistry/ University of Baghdad seeking for treatment. The DAI scores were collected according to WHO guidelines directly from the study model with a digital caliper, score was calculated using the regression equation of 10 occlusal traits. The dental casts were classified into four groups to determ

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Publication Date
Wed Apr 15 2020
Journal Name
Journal Of Engineering Science And Technology
INFLUENCE OF A RIVER WATER QUALITY ON THE EFFICIENCY OF WATER TREATMENT USING ARTIFICIAL NEURAL NETWORK
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Publication Date
Mon Feb 04 2019
Journal Name
Iraqi Journal Of Physics
Studying the contribution of components and type of spiral galaxy NGC 6946 using digital image processing
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NGC 6946 have been observed with BVRI filters, on October 15-18,
2012, with the Newtonian focus of the 1.88m telescope, Kottamia
observatory, of the National Research Institute of Astronomy and
Geophysics, Egypt (NRIAG), then we combine the BVRI filters to
obtain an astronomical image to the spiral galaxy NGC 6946 which
is regarded main source of information to discover the components of
this galaxy, where galaxies are considered the essential element of
the universe. To know the components of NGC 6946, we studied it
with the Variable Precision Rough Sets technique to determine the
contribution of the Bulge, disk, and arms of NGC 6946 according to
different color in the image. From image we can determined th

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Publication Date
Sat Jan 01 2022
Journal Name
Journal Of The Mechanical Behavior Of Materials
The effect of using different fibres on the impact-resistance of slurry infiltrated fibrous concrete (SIFCON)
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Abstract<p>Slurry infiltrated fibrous concrete (SIFCON) is a modern type of fibre reinforced concrete (FRC). It has unique properties; SIFCON is superior in compressive strength, flexural strength, tensile strength, impact resistance, energy absorption and ductility. Because of this superiority in these characteristics, SIFCON was qualified for applications of special structures, which require resisting sudden dynamic loads such as explosions and earthquakes. The main aim of this investigation is to determine the effect of fibre type on the apparent density of SIFCON and on performance under impact load. In this investigation, hook-end steel fibre and polyolefin fibre were used. Purely once and </p> ... Show More
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Publication Date
Thu Mar 01 2012
Journal Name
Journal Of Economics And Administrative Sciences
Using Truncated Test for Finding the Parameters of Single Sampling Plan under Distribution of Log-Logistic
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A group of acceptance sampling to testing the products was designed when the life time of an item follows a log-logistics distribution. The minimum number of groups (k) required for a given group size and acceptance number is determined when various values of Consumer’s Risk and test termination time are specified. All the results about these sampling plan and probability of acceptance were explained with tables.

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Publication Date
Thu Sep 08 2022
Journal Name
Al-khwarizmi Engineering Journal
Kinetics of Electrochemical Removal of Nickel using Bio-electrochemical Reactor with Packed Bed Rotating Cylinder Cathode
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The kinetics of nickel removal from aqueous solutions using a bio-electrochemical reactor with a packed bed rotating cylinder cathode was investigated. The effects of applied voltage, initial nickel concentration, the rotation speed of the cathode, and pH on the reaction rate constant (k) were studied. The results showed that the cathodic deposition occurred under mass transfer control for all values of the applied voltage used in this research. Accordingly, the relationship between concentration and time can be represented by a first-order equation. The rate constant was found to be dependent on the applied voltage, initial nickel concentration, pH, and rotation speed. It was increased as the applied voltage increased and decreased as t

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Publication Date
Wed May 01 2019
Journal Name
Iop Conf. Series: Materials Science And Engineering
Fire flame effect on the compressive strength of reactive powder concrete using different methods of cooling
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This research foxed on the effect of fire flame of different burning temperatures (300, 400 and 500)oC on the compressive strength of reactive powder concrete (RPC).The steady state duration of the burning test was (60)min. Local consuming material were used to mixed a RPC of compressive strength around (100) MPa. The tested specimens were reinforced by (3.0) cm hooked end steel fiber of (1100) MPa yield strength. Three steel fiber volume fraction were adopted in this study (0, 1.0and 1.5)% and two cooling process were included, gradual and sudden. It was concluding that increasing burning temperature decreases the residual compressive strength for RPC specimens of(0%) steel fiber volume fraction by (12.16, 19.46&24.49) and (18.20, 27.77 &3

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Publication Date
Mon Mar 01 2021
Journal Name
Iraqi Journal Of Physics
Study of the proton halo structure of nuclei 23Al and 27P using the binary cluster model
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The neutron, proton, and matter densities of the ground state of the proton-rich 23Al and 27P exotic nuclei were analyzed using the binary cluster model (BCM). Two density parameterizations were used in BCM calculations namely; Gaussian (GS) and harmonic oscillator (HO) parameterizations. According to the calculated results, it found that the BCM gives a good description of the nuclear structure for above proton-rich exotic nuclei. The elastic form factors of the unstable 23Al and 27P exotic nuclei and those of their stable isotopes 27Al and 31P are studied by the plane-wave Born approximation. The main difference between the elastic form factors of unstable nuclei and the

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