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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
Sat Dec 31 2016
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Indirect Electrochemical Oxidation of Phenol Using Rotating Cylinder Reactor
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Indirect electrochemical oxidation of phenol and its derivatives was investigated by using MnO2 rotating cylinder electrode. Taguchi experimental design method was employed to find the best conditions for the removal efficiency of phenol and its derivatives generated during the process. Two main parameters were investigated, current density (C.D.) and electrolysis time. The removal efficiency was considered as a response for the phenol and other organics removal. An orthogonal array L16, the signal to noise (S/N) ratio, and the analysis of variance were used to test the effect of designated process factors and their levels on the performance of phenol and other organics removal efficiency. The results showed that th

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Publication Date
Wed Sep 30 2009
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
A Study of Forward Osmosis Using Various Drawing Agent
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This research was aimed to study the osmotic efficiency of the draw solutions and the factors affecting the performance of forward osmosis process : The draw solutions used were magnesium sulfate hydrate (MgSO4.7H2O) pojtassium chloride (KCL), calcium chloride (CaCl2) and ammonium bicarbonate (NH4HCO3). It was found that water flux increases with increasing draw solution concentration, and feed solution flow rate and decreases with increasing draw solution flow rate and feed solution concentration. And also found that the efficiency of the draw solutions is in the following order:

CaCl2> KCI > NH4HCO3> MgSO4.7H

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Publication Date
Sat Oct 31 2020
Journal Name
International Journal Of Intelligent Engineering And Systems
Speech Emotion Recognition Using MELBP Variants of Spectrogram Image
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Publication Date
Sun Nov 01 2020
Journal Name
Iraqi Journal Of Laser
Rejuvenation of Facial Skin Using Fractional Er: YAG Laser
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Fractional Er: YAG laser resurfacing is increasingly used for treating rhytides and photo aged skin because of its favorable benefit‐risk ratio. The multi-stacking and variable pulse width technology opened a wide horizon of rejuvenation treatments using this type of laser. To evaluate the efficacy and safety of the use of fractional 2940 nm Er: YAG laser in facial skin rejuvenation. Twelve female patients with mean age 48.3 years and multiple degrees of aging signs and solar skin damages, were treated with 2 sessions, one month apart by fractional Er: YAG laser. Each session consisted of 2 steps, the first step employed the use of the multi stack ablative fractional mode and the fractional long pulsed non-ablative mode settings were u

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Publication Date
Thu Feb 01 2018
Journal Name
Journal Of Engineering
Mathematical Modeling of Compaction Curve Using Normal Distribution Functions
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Compaction curves are widely used in civil engineering especially for road constructions, embankments, etc. Obtaining the precise amount of Optimum Moisture Content (OMC) that gives the Maximum Dry Unit weight gdmax. is very important, where the desired soil strength can be achieved in addition to economic aspects.

In this paper, three peak functions were used to obtain the OMC and gdmax. through curve fitting for the values obtained from Standard Proctor Test. Another surface fitting was also used to model the Ohio’s compaction curves that represent the very large variation of compacted soil types.

The results showed very good correlation between the values obtained from some publ

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Publication Date
Fri Jan 01 2016
Journal Name
Japanese Geotechnical Society Special Publication
Treatment of Iraqi collapsible soil using encased stone columns
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Stone columns are widely used globally due to theirversatility and relative wide applicability to treat different soil and foundation situations but much of the research undertaken to date has focused on their use in soft soils. In countries like Iraq the use of stone columns is still limited from a practical point of view, chiefly as many other soil conditions are commonly encountered. These include collapsible soils: soils that are prone to relatively rapid volume compressions (through collapse of metastable fabrics) that occur due to the action of load and/or increases in water content. Recent work has opened up the possibility to use stone columns in these soils by the use of encasement, thereby overcoming the impact of loss of lateral

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Publication Date
Wed Oct 25 2023
Journal Name
Plos One
Performance enhancement of high order Hahn polynomials using multithreading
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Orthogonal polynomials and their moments have significant role in image processing and computer vision field. One of the polynomials is discrete Hahn polynomials (DHaPs), which are used for compression, and feature extraction. However, when the moment order becomes high, they suffer from numerical instability. This paper proposes a fast approach for computing the high orders DHaPs. This work takes advantage of the multithread for the calculation of Hahn polynomials coefficients. To take advantage of the available processing capabilities, independent calculations are divided among threads. The research provides a distribution method to achieve a more balanced processing burden among the threads. The proposed methods are tested for va

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Publication Date
Thu Dec 01 2022
Journal Name
International Journal Of Electrical And Computer Engineering
SENTIMENT RETRIEVAL OF HEALTH RECORDS USING NLP-BASED ALGORITHM
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Publication Date
Thu Sep 01 2022
Journal Name
Neuroquantology
Evaluation of using of square flap in treatment of Postburn Contracture
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Background: One of the most common problems that encountered is postburn contracture which has both functional and aesthetic impact on the patients. Various surgical methods had being proposed to treat such problem. Aim: To evaluate the effectiveness of square flap in management of postburn contracture in several part of the body. Patients and methods: From April 2019 to June 2020 a total number of 20 patients who had postburn contracture in various parts of their body were subjected to scar contracture release using square flap. The follow up period was ranging between 6 months to 12 months. Results: All of our patients had achieved complete release of their band with maximum postoperative motion together with accepted aesthetic outcome. A

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Publication Date
Sat Jun 01 2013
Journal Name
Journal Of Economics And Administrative Sciences
Scope of using accounting of responsibility under contition of public badget
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Abstract

  The public budget in Iraq is still prepared according to the traditional base that allocates the  amounts of budget the current year based on the budget of previous year with an increase in estimations with random proportions without connecting the input (financial, human resources and asset )with their output (quantitatively and qualitatively)this caused waste and lose in the available resources therefore the output of budget showed be adapted is such a way that achieving connection between its input and output and to be appropriate with the organizational structure of the state without intrinsic change in its work .this may be realized by adopting the accounting of

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