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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
Wed Sep 01 2021
Journal Name
Baghdad Science Journal
Optimum Median Filter Based on Crow Optimization Algorithm
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          A novel median filter based on crow optimization algorithms (OMF) is suggested to reduce the random salt and pepper noise and improve the quality of the RGB-colored and gray images. The fundamental idea of the approach is that first, the crow optimization algorithm detects noise pixels, and that replacing them with an optimum median value depending on a criterion of maximization fitness function. Finally, the standard measure peak signal-to-noise ratio (PSNR), Structural Similarity, absolute square error and mean square error have been used to test the performance of suggested filters (original and improved median filter) used to removed noise from images. It achieves the simulation based on MATLAB R2019b and the resul

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Publication Date
Mon Aug 01 2022
Journal Name
Bulletin Of Electrical Engineering And Informatics
Solid waste recycling and management cost optimization algorithm
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Solid waste is a major issue in today's world. Which can be a contributing factor to pollution and the spread of vector-borne diseases. Because of its complicated nonlinear processes, this problem is difficult to model and optimize using traditional methods. In this study, a mathematical model was developed to optimize the cost of solid waste recycling and management. In the optimization phase, the salp swarm algorithm (SSA) is utilized to determine the level of discarded solid waste and reclaimed solid waste. An optimization technique SSA is a new method of finding the ideal solution for a mathematical relationship based on leaders and followers. It takes a lot of random solutions, as well as their outward or inward fluctuations, t

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Publication Date
Thu Mar 23 2023
Journal Name
Journal Of Applied Science And Engineering
Strong Fenchel Duality for Evenly Convex Optimization Problems
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Among a variety of approaches introduced in the literature to establish duality theory, Fenchel duality was of great importance in convex analysis and optimization. In this paper we establish some conditions to obtain classical strong Fenchel duality for evenly convex optimization problems defined in infinite dimensional spaces. The objective function of the primal problem is a family of (possible) infinite even convex functions. The strong duality conditions we present are based on the consideration of the epigraphs of the c-conjugate of the dual objective functions and the ε-c-subdifferential of the primal objective functions.

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Publication Date
Sun Oct 29 2023
Journal Name
Journal Of Al-qadisiyah For Computer Science And Mathematics
Optimization Techniques for Human Multi-Biometric Recognition System
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Researchers are increasingly using multimodal biometrics to strengthen the security of biometric applications. In this study, a strong multimodal human identification model was developed to address the growing problem of spoofing attacks in biometric security systems. Through the use of metaheuristic optimization methods, such as the Genetic Algorithm(GA), Ant Colony Optimization(ACO), and Particle Swarm Optimization (PSO) for feature selection, this unique model incorporates three biometric modalities: face, iris, and fingerprint. Image pre-processing, feature extraction, critical image feature selection, and multibiometric recognition are the four main steps in the workflow of the system. To determine its performance, the model wa

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Publication Date
Thu Jun 16 2022
Journal Name
Periodicals Of Engineering And Natural Sciences (pen)
Optimization algorithms for transportation problems with stochastic demand
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The purpose of this paper is to solve the stochastic demand for the unbalanced transport problem using heuristic algorithms to obtain the optimum solution, by minimizing the costs of transporting the gasoline product for the Oil Products Distribution Company of the Iraqi Ministry of Oil. The most important conclusions that were reached are the results prove the possibility of solving the random transportation problem when the demand is uncertain by the stochastic programming model. The most obvious finding to emerge from this work is that the genetic algorithm was able to address the problems of unbalanced transport, And the possibility of applying the model approved by the oil products distribution company in the Iraqi Ministry of Oil to m

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Scopus (15)
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Publication Date
Thu Oct 01 2020
Journal Name
Journal Of Engineering
Financing Cost Optimization in Construction Sector: A Review
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The main aim of this research is to introduce financing cost optimization and different financing alternatives. There are many studies about financing cost optimization. All previous studies considering the cost of financing have many shortcomings, some considered only one source of financing as a credit line without taking into account different financing alternatives. Having only one funding alternative powers, restricts contractors and leads to a very specific financing model. Although it is beneficial for the contractor to use a long-term loan to minimize interest charges and prevent a substantial withdrawal from his credit line, none of the existing financial-based planning models have considered long-term loans in

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Publication Date
Thu Sep 26 2019
Journal Name
Processes
Fine-Tuning Meta-Heuristic Algorithm for Global Optimization
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This paper proposes a novel meta-heuristic optimization algorithm called the fine-tuning meta-heuristic algorithm (FTMA) for solving global optimization problems. In this algorithm, the solutions are fine-tuned using the fundamental steps in meta-heuristic optimization, namely, exploration, exploitation, and randomization, in such a way that if one step improves the solution, then it is unnecessary to execute the remaining steps. The performance of the proposed FTMA has been compared with that of five other optimization algorithms over ten benchmark test functions. Nine of them are well-known and already exist in the literature, while the tenth one is proposed by the authors and introduced in this article. One test trial was shown t

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Publication Date
Thu Jan 09 2020
Journal Name
Plant Archives
Molecular Study of Two Fungi Millerozyma Farinosa and Candida Orthopsilosis by PCR Using Its Gene and Phylogenetic Structuring Tree Isolated from Diabetic Patient in Baghdad
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Diabetic mellitus is one of the main risk factors of fungal infections because poor glycemic control is associated with a high level of glucose in blood and saliva which could be treated as nutrient to fungi. This study aimed to isolate and identification of pathogenic fungi from diabetic patient. 140 samples were taken from different places of human body from the national center of diabetic patients that related to Mustansiriyah University / college of medicine and Al-yarmuk Hospital in Baghdad. 84 sample (60%) tested positive to fungi and 56 sample (40%) tested negative to fungi. The most frequented fungi isolated have been chosen for molecular identification by PCR (Millerozyma farinosa and Candida orthopsilosis) using specific pri

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Publication Date
Sun Oct 01 2023
Journal Name
Baghdad Science Journal
Small Horizontal Wind Turbine Design and Aerodynamic Analysis Using Q-Blade Software
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Wind energy is one of the most common and natural resources that play a huge role in energy sector, and due to the increasing demand to improve the efficiency of wind turbines and the development of the energy field, improvements have been made to design a suitable wind turbine and obtain the most energy efficiency possible from wind. In this paper, a horizontal wind turbine blade operating under low wind speed was designed using the (BEM) theory, where the design of the turbine rotor blade is a difficult task due to the calculations involved in the design process. To understand the behavior of the turbine blade, the QBlade program was used to design and simulate the turbine rotor blade during working conditions. The design variables suc

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Publication Date
Mon Nov 01 2010
Journal Name
Iraqi Journal Of Physics
Preparation of Xerogel Films Doped with R6G Laser Dye using spin coating technique and Study the Spinning parameters Baha T.
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Spin coating technique has been applied in this work to prepared Xerogel films doped with Rhodamine 6G laser dyes. The solid host of laser dye modifies its spectroscopic properties with respect to liquid host. During the spin coating process the dye molecules suffer from changing their environment. The effects of three parameters were studied here: the spinning speed, multilayer coating and formaldehyde addition

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