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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 04 2021
Journal Name
Journal Of Petroleum Exploration And Production Technology
Perforation location optimization through 1-D mechanical earth model for high-pressure deep formations
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Optimum perforation location selection is an important study to improve well production and hence in the reservoir development process, especially for unconventional high-pressure formations such as the formations under study. Reservoir geomechanics is one of the key factors to find optimal perforation location. This study aims to detect optimum perforation location by investigating the changes in geomechanical properties and wellbore stress for high-pressure formations and studying the difference in different stress type behaviors between normal and abnormal formations. The calculations are achieved by building one-dimensional mechanical earth model using the data of four deep abnormal wells located in Southern Iraqi oil fields. The magni

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Publication Date
Thu May 18 2023
Journal Name
Journal Of Engineering
Genetic Algorithm Optimization Model for Central Marches Restoration Flows with Different Water Quality Scenarios
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A Genetic Algorithm optimization model is used in this study to find the optimum flow values of the Tigris river branches near Ammara city, which their water is to be used for central marshes restoration after mixing in Maissan River. These tributaries are Al-Areed, AlBittera and Al-Majar Al-Kabeer Rivers. The aim of this model is to enhance the water quality in Maissan River, hence provide acceptable water quality for marsh restoration. The model is applied for different water quality change scenarios ,i.e. , 10%,20% increase in EC,TDS and BOD. The model output are the optimum flow values for the three rivers while, the input data are monthly flows(1994-2011),monthly water requirements and water quality parameters (EC, TDS, BOD, DO and

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Publication Date
Sun Dec 30 2018
Journal Name
Journal Of Pure And Applied Microbiology
Optimization Kerosene Bio-degradation by a Local Soil Bacterium Isolate Klebsiella pneumoniae Sp. pneumonia
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Isolated Bacteria from the roots of barley were studied; two stages of processes Isolated and screening were applied in order to nd the best bacteria to remove kerosene from soil. The acve bacteria are isolated for kerosene degradaon process. It has been found that Klebsiella pneumoniae sp. have the highest kerosene degradaon which is 88.5%. The opmum condions of kerosene degradaon by Klebsiella pneumonia sp. are pH5, 48hr incubaon period, 35°C temperature and 10000ppm the best kerosene concentraon. The results 10000ppm showed that the maximum kerosene degradaon can reach 99.58% aer 48 h of incubaon. Higher Kerosene degradaon which was 99.83% was obtained at pH5. Kerosene degradaon was found

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Publication Date
Sun Dec 30 2018
Journal Name
Journal Of Pure And Applied Microbiology (jpam)
Optimization Kerosene Bio-degradation by a Local Soil Bacterium Isolate Klebsiella pneumoniae Sp. pneumonia
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Isolated Bacteria from the roots of barley were studied; two stages of processes Isolated and screening were applied in order to find the best bacteria to remove kerosene from soil. The active bacteria are isolated for kerosene degradation process. It has been found that Klebsiella pneumoniae sp. have the highest kerosene degradation which is 88.5%. The optimum conditions of kerosene degradation by Klebsiella pneumonia sp. are pH5, 48hr incubation period, 35°C temperature and 10000ppm the best kerosene concentration. The results 10000ppm showed that the maximum kerosene degradation can reach 99.58% after 48 h of incubation. Higher Kerosene degradation which was 99.83% was obtained at pH5. Kerosene degradation was found to be maximum at 3

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Publication Date
Sun Mar 07 2010
Journal Name
Baghdad Science Journal
Darwinian Philosophy as Optimization Method for Design High Reflection Mirror Include New Merit Function
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In this paper we proposes the philosophy of the Darwinian selection as synthesis method called Genetic algorithm ( GA ), and include new merit function with simple form then its uses in other works for designing one of the kinds of multilayer optical filters called high reflection mirror. Here we intend to investigate solutions for many practical problems. This work appears designed high reflection mirror that have good performance with reduction the number of layers, which can enable one to controlling the errors effect of the thickness layers on the final product, where in this work we can yield such a solution in a very shorter time by controlling the length of the chromosome and optimal genetic operators . Res

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Publication Date
Wed Mar 10 2021
Journal Name
Periodicals Of Engineering And Natural Sciences (pen)
A hybrid Grey Wolf optimizer with multi-population differential evolution for global optimization problems
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Publication Date
Mon Apr 03 2023
Journal Name
International Journal Of Online And Biomedical Engineering (ijoe)
An Integrated Grasshopper Optimization Algorithm with Artificial Neural Network for Trusted Nodes Classification Problem
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Wireless Body Area Network (WBAN) is a tool that improves real-time patient health observation in hospitals, asylums, especially at home. WBAN has grown popularity in recent years due to its critical role and vast range of medical applications. Due to the sensitive nature of the patient information being transmitted through the WBAN network, security is of paramount importance. To guarantee the safe movement of data between sensor nodes and various WBAN networks, a high level of security is required in a WBAN network. This research introduces a novel technique named Integrated Grasshopper Optimization Algorithm with Artificial Neural Network (IGO-ANN) for distinguishing between trusted nodes in WBAN networks by means of a classifica

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Publication Date
Mon Sep 01 2025
Journal Name
Array
Enhanced zebra optimization algorithm for sustainable combined economic and emission dispatch in power systems
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The Combined Economic Emission Dispatch (CEED) problem is crucial for optimizing power system operation by minimizing costs and emissions while ensuring grid stability and meeting demand. This paper addresses the complex, nonlinear, and nonconvex nature of CEED, arising from factors like valve-point effects and transmission losses, which necessitates efficient metaheuristic algorithms. We introduce an Improved Zebra Optimization Algorithm (IMZOA), an enhanced bio-inspired technique integrating advanced adaptive foraging and dynamic defense mechanisms, along with a cubic function for CEED modeling, to improve search efficiency and convergence. IMZOA demonstrates significant numerical improvements, achieving up to a 0.80 % cost reduction for

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Publication Date
Mon May 01 2023
Journal Name
Wiadomości Lekarskie Medical Advances
EVALUATION OF VEST-OVER-PANT TECHNIQUE IN THE TREATMENT OF POST-HYPOSPADIAS URETHROCUTANEOUS FISTULA
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The aim: In this study, we present and evaluate the vest-over-pants technique as a simple way to correct urethrocutaneous fistulas after hypospadias. Materials and methods: Between October 2018 and June 2020, twenty male patients aged 5 to 20 years came to us with post hypospadias repair fistula, these patients underwent vest-over-pant repair of their fistula. The size of fistula was ranging between 2.5-5 mm. The distribution of fistula was coronal (3 patients), distal penile (9 patients), midshaft (2 patients) and proximal penile (6 patients). In 14 patients there were single fistula and 6 patients had more than one fistula. Eleven of patients were exposed to a previous failed fistula repair procedure. Results: Six months after the operati

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Publication Date
Tue Oct 01 2013
Journal Name
Journal Of Economics And Administrative Sciences
Comparing Between Shrinkage &Maximum likelihood Method For Estimation Parameters &Reliability Function With 3- Parameter Weibull Distribution By Using Simulation
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The 3-parameter Weibull distribution is used as a model for failure since this distribution is proper when the failure rate somewhat high in starting operation and these rates will be decreased with increasing time .

In practical side a comparison was made between (Shrinkage and Maximum likelihood) Estimators for parameter and reliability function using simulation , we conclude that the Shrinkage estimators for parameters are better than maximum likelihood estimators but the maximum likelihood estimator for reliability function is the better using statistical measures (MAPE)and (MSE) and for different sample sizes.

Note:- ns : small sample ; nm=median sample

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