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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 Oct 01 2018
Journal Name
Iraqi Journal Of Physics
Classification of brain tumors using the multilayer perceptron artificial neural network
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Information from 54 Magnetic Resonance Imaging (MRI) brain tumor images (27 benign and 27 malignant) were collected and subjected to multilayer perceptron artificial neural network available on the well know software of IBM SPSS 17 (Statistical Package for the Social Sciences). After many attempts, automatic architecture was decided to be adopted in this research work. Thirteen shape and statistical characteristics of images were considered. The neural network revealed an 89.1 % of correct classification for the training sample and 100 % of correct classification for the test sample. The normalized importance of the considered characteristics showed that kurtosis accounted for 100 % which means that this variable has a substantial effect

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Publication Date
Sun Dec 25 2022
Journal Name
Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)
Evaluation of Hepatic Enzymes in major β-thalassemic Patients using Deferasirox
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Abstract

β-thalassemia major is a genetic disease that causes sever defect in normal hemoglobin synthesis. The patients with β-thalassemia major need periodic blood transfusions that can result in accumulation of body iron, so treatment with iron chelating agent is required. Complications of this iron overload affecting many vital organs, including the liver. The aim of this work was to evaluate liver enzymes in β -thalassemia major patients with deferasirox versus without it. Two groups of β-thalassemia major patients were involved in this study named group A; 40 β-thalassemia patients of blood transfusion dependent without deferasirox, group B; 40 β-thalassemia patients of blood transfusion dependent on de

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Publication Date
Tue Mar 30 2010
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Separation of Bovine Serum Albumin Using Chromatographical Column: Parameters and Simulation
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A liquid-solid chromatography of Bovine Serum Albumin (BSA) on (diethylaminoethyl-cellulose) DEAE-cellulose adsorbent is worked experimentally, to study the effect of changing the influent concentration of (0.125, 0.25, 0.5, and 1 mg/ml) at constant volumetric flow rate Q=1ml/min. And the effect of changing the volumetric flow rate (1, 3, 5, and 10 ml/min) at constant influent concentration of Co=0.125mg/ml. By using a glass column of (1.5cm) I.D and (50cm) length, packed with adsorbent of DEAE-cellulose of height (7cm). The influent is introduced in to the column using peristaltic pump and the effluent concentration is investigated using UV-spectrophotometer at 30oC and 280nm wavelength. A spread (steeper) break-through curve is gained

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Publication Date
Tue Jan 01 2019
Journal Name
Spe/aapg/seg Asia Pacific Unconventional Resources Technology Conference
Optimizing the dispersion of coal fines using Sodium Dodecyl Benzene Sulfonate
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Coal fines are highly prone to be generated in all stages of Coal Seam Gas (CSG) production and development. These detached fines tend to aggregate, contributing to pore throat blockage and permeability reduction. Thus, this work explores the dispersion stability of coal fines in CSG reservoirs and proposes a new additive to be used in the formulation of the hydraulic fracturing fluid to keep the fines dispersed in the fluid. In this work, bituminous coal fines were tested in various suspensions in order to study their dispersion stability. The aggregation behavior of coal fines (dispersed phase) was analyzed in different dispersion mediums, including deionized-water, low and high sodium chloride solutions. Furthermore, the effect of Sodium

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Publication Date
Sun May 01 2016
Journal Name
International Journal Of Computer Applications
Lossless Image Compression using Adaptive Predictive Coding of Selected Seed Values
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Publication Date
Mon Jan 01 2024
Journal Name
Journal Of Engineering
Improvement Marshall Properties of Hot Mix Asphalt Concrete Using Polyphosphoric Acid
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Modified asphalt is considered one of the alternatives to address the problems of deficiencies in traditional asphalt concrete, as modified asphalt addresses many of the issues that appear on the pavement layers in asphalt concrete, resulting from heavy traffic and vehicles loaded with loads that exceed the design loads and the large fluctuations in the daily and seasonal temperatures of asphalt concrete. The current study examined the role of polyphosphoric acid (PPA) as a modified material for virgin asphalt when it was added in different proportions (1%, 2%, 3%, 4%) of the asphalt weight. The experimental program includes the volumetric characteristics associated with the Marshall test, the physical properties, and th

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Publication Date
Sun Jan 05 2025
Journal Name
Science Journal Of University Of Zakho
DETECTION AND RECOGNITION OF IRAQI LICENSE PLATES USING CONVOLUTIONAL NEURAL NETWORKS
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Due to the large population of motorway users in the country of Iraq, various approaches have been adopted to manage queues such as implementation of traffic lights, avoidance of illegal parking, amongst others. However, defaulters are recorded daily, hence the need to develop a mean of identifying these defaulters and bring them to book. This article discusses the development of an approach of recognizing Iraqi licence plates such that defaulters of queue management systems are identified. Multiple agencies worldwide have quickly and widely adopted the recognition of a vehicle license plate technology to expand their ability in investigative and security matters. License plate helps detect the vehicle's information automatically ra

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Publication Date
Wed Mar 10 2021
Journal Name
Baghdad Science Journal
The using effects of Nettle herb in elevating Hb&PCV levels
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A dose of ten grams of the roots and leaves of Nettle (Urtica dioica) dissolved in (200)ml of boiled water then covered for (10)min. was given to a sample of (15) patients attending to the herbal department of ministry of health complaining of malnutrition and low Hb(hemoglobin) concentration and PCV(packed cell volume) levels with absence of any other predisposing factors disease inorder to find the effects of these roots and leaves on Hb and PCV levels for different periods of time in relation to age and sex variations . The study have shown that this mixture has a high significant effect (p<0.001) in elevating (Hb) concentration and PCV levels on those patients according to the differences recorded from the start of the basic period unt

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Publication Date
Mon Mar 30 2009
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Prediction of bubble size in Bubble columns using Artificial Neural Network
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In the literature, several correlations have been proposed for bubble size prediction in bubble columns. However these correlations fail to predict bubble diameter over a wide range of conditions. Based on a data bank of around 230 measurements collected from the open literature, a correlation for bubble sizes in the homogenous region in bubble columns was derived using Artificial Neural Network (ANN) modeling. The bubble diameter was found to be a function of six parameters: gas velocity, column diameter, diameter of orifice, liquid density, liquid viscosity and liquid surface tension. Statistical analysis showed that the proposed correlation has an Average Absolute Relative Error (AARE) of 7.3 % and correlation coefficient of 92.2%. A

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Publication Date
Sat Jan 01 2022
Journal Name
Civil Engineering Journal
Rehabilitation of Hybrid RC-I Beams with Openings Using CFRP Sheets
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This research presents an experimental investigation of the rehabilitation efficiency of the damaged hybrid reinforced concrete beams with openings in the shear region. The study investigates the difference in retrofitting ability of hybrid beams compared to traditional beams and the effect of two openings compared with one opening equalized to two holes in the area. Five RC beams classified into two groups, A and B, were primarily tested to full-failure under two-point loads. The first group (A) contained beams with normal weight concrete. The second group (hybrid) included beams with lightweight concrete for web and bottom flange, whereas the top flange was made from normal concrete. Two types of openings were considered in this s

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