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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
Thu Aug 01 2019
Journal Name
Ieee Photonics Journal
Di-Iron Trioxide Hydrate-Multi-Walled Carbon Nanotube Nanocomposite for Arsenite Detection Using Surface Plasmon Resonance Technique
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Publication Date
Fri Jan 30 2026
Journal Name
Iraqi Journal Of Science
Digital Forensics Method for Fake Images Detection Using GAN Algorithm Based on Watermarking Technique and Image Content
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The proliferation of manipulated multimedia content poses a significant threat in an era heavily reliant on social networks as primary information sources. Despite numerous countermeasures targeting specific attack types, the seamless nature of image manipulation challenges the differentiation between authentic and altered visuals. This study aims to detect fake images generated by StyleGAN2-ADA using watermark analysis and image content analysis techniques. The first experiment evaluates the performance of watermarking techniques in the spatial (Least Significant Bit (LSB)) and frequency (Discrete Cosine Transform (DCT)) domains using real-life imagery. Then, watermarked images are used as input to the StyleGAN2-ADA model to genera

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Publication Date
Fri Feb 08 2013
Journal Name
Advances In Life Science And Technology
An Analytical and Clinical Study for Measure the Bioavailabilityof Zinc in Serum Using Flame Atomic Absorption Technique
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An analytical and clinical study has been applied for measure the bioavailability of Zinc in serum of twenty adults healthy volunteers, using flame atomic absorption spectrophotometer (FAAS) at 213.9 nm. The calibration graph is linear in the ranges of 0.25-1.5 μg.mL-1 with correlation coefficient (R) 0.09996)μg.mL1-and molar absorpitivites 22957.76(L.mol1-cm-1.The concentration of Zinc determined in serum of all volunteers before and after administered orally a tablet of 50 mg zinc sulphate, produced by Samara drugs company (SDI). All data were subjected to statistical analysis by calculating accuracy, precision in addition to other parameters. The results indicate that the average maximum concentration (C-max ± SD) of blood zinc was 0.

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Publication Date
Wed Mar 01 2023
Journal Name
Iaes International Journal Of Artificial Intelligence (ij-ai)
Design and implementation monitoring robotic system based on you only look once model using deep learning technique
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<span lang="EN-US">The need for robotics systems has become an urgent necessity in various fields, especially in video surveillance and live broadcasting systems. The main goal of this work is to design and implement a rover robotic monitoring system based on raspberry pi 4 model B to control this overall system and display a live video by using a webcam (USB camera) as well as using you only look once algorithm-version five (YOLOv5) to detect, recognize and display objects in real-time. This deep learning algorithm is highly accurate and fast and is implemented by Python, OpenCV, PyTorch codes and the Context Object Detection Task (COCO) 2020 dataset. This robot can move in all directions and in different places especially in

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Publication Date
Wed Jun 01 2022
Journal Name
Canadian Journal Of Chemistry
Hydrogenation of pyridine and hydrogenolysis of piperidine over <i>γ-</i>Mo<sub>2</sub>N catalyst: a DFT study
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Increasing demands on producing environmentally friendly products are becoming a driving force for designing highly active catalysts. Thus, surfaces that efficiently catalyse the nitrogen reduction reactions are greatly sought in moderating air-pollutant emissions. This contribution aims to computationally investigate the hydrodenitrogenation (HDN) networks of pyridine over the γ-Mo2N(111) surface using a density functional theory (DFT) approach. Various adsorption configurations have been considered for the molecularly adsorbed pyridine. Findings indicate that pyridine can be adsorbed via side-on and end-on modes in six geometries in which one adsorption site is revealed to have the lowest adsorption energy (

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Publication Date
Fri Jan 01 2021
Journal Name
Desalination And Water Treatment
Microwave induced activated carbon for the removal of metal ions in fixed-bed column study: modelling and mechanisms
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Publication Date
Fri Sep 01 2017
Journal Name
2017 9th Computer Science And Electronic Engineering (ceec)
Modelling the power cost and trade-off of live migration the virtual machines in cloud-radio access networks
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Publication Date
Sun Mar 03 2019
Journal Name
Iraqi Journal Of Physics
Experimental observation of the far field diffraction patterns of functionalization single and multi-walled carbon nanotubes using nonlinear diffraction technique
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Nonlinear diffraction pattern can be induced by focusing CW
laser into a thin quartzes cuvette containing nanofluid. The number
of revealed pattern rings indicates to the nonlinear behavior of fluid.
Here, the nonlinear refractive index of each of functionalized single
wall carbon nanotube (F-SWCNTs) suspention and multi wall carbon
nanotube (F-MWCNTs) suspention have been investigated
experimentally .Each of CNTs suspention was at volume fraction of
13×10−5 and 6×10−5. Moreover the laser source at wavelength of
473 nm was used. The results show that SWCNTs suspention
possesses higher nonlinearty than other at the same volume fraction

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Publication Date
Sun Apr 08 2018
Journal Name
Al-khwarizmi Engineering Journal
Inverse Kinematics Solution for Redundant Robot Manipulator using Combination of GA and NN
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A demonstration of the inverse kinematics is a very complex problem for redundant robot manipulator. This paper presents the solution of inverse kinematics for one of redundant robots manipulator (three link robot) by combing of two intelligent algorithms GA (Genetic Algorithm) and NN (Neural Network). The inputs are position and orientation of three link robot. These inputs are entering to Back Propagation Neural Network (BPNN). The weights of BPNN are optimized using continuous GA. The (Mean Square Error) MSE is also computed between the estimated and desired outputs of joint angles. In this paper, the fitness function in GA is proposed. The sinwave and circular for three link robot end effecter and desired trajectories are simulated b

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Publication Date
Fri Jan 01 2021
Journal Name
Journal Of Economics And Administrative Sciences
Predicting Social Security Fund compensation in Iraq using ARMAX Model
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Time series have gained great importance and have been applied in a manner in the economic, financial, health and social fields and used in the analysis through studying the changes and forecasting the future of the phenomenon. One of the most important models of the black box is the "ARMAX" model, which is a mixed model consisting of self-regression with moving averages with external inputs. It consists of several stages, namely determining the rank of the model and the process of estimating the parameters of the model and then the prediction process to know the amount of compensation granted to workers in the future in order to fulfil the future obligations of the Fund. , And using the regular least squares method and the frequ

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