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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 Oct 01 2015
Journal Name
International Journal Of Engineering And Advanced Technology (ijeat)
Optimization Process Parameters of Submerged Arc Welding Using Taguchi Method
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Submerged arc welding (SAW) process is an essential metal joining processes in industry. The quality of weld is a very important working aspect for the manufacturing and construction industries, the challenges are made optimal process environment. Design of experimental using Taguchi method (L9 orthogonal array (OA)) considering three SAW parameter are (welding current, arc voltage and welding speed) and three levels (300-350-400 Amp. , 32-36-40 V and 26-28-30 cm/min). The study was done on SAW process parameters on the mechanical properties of steel type comply with (ASTM A516 grade 70). Signal to Noise ratio (S/N) was computed to calculate the optimal process parameters. Percentage contributions of each parameter are validated by using an

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Publication Date
Sat Oct 09 2021
Journal Name
Applied System Innovation
Design and Optimization of Vertical Axis Wind Turbines Using QBlade
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Wind energy is considered one of the most important sources of renewable energy in the world, because it contributes to reducing the negative effects on the environment. The most important types of wind turbines are horizontal and vertical axis wind turbines. This work presents the full details of design for vertical axis wind turbine (VAWT) and how to find the optimal values of necessary factors. Additionally, the results shed light on the efficiency and performance of the VAWT under different working conditions. It was taken into consideration the variety of surrounding environmental conditions (such as density and viscosity of fluid, number of elements of the blade, etc.) to simulate the working of vertical wind turbines under di

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Publication Date
Mon Jan 02 2012
Journal Name
Ibn Al-haitham Journal For Pure And Applied Science
Image encryption technique using Lagrange interpolation
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Publication Date
Mon Apr 09 2018
Journal Name
Al-khwarizmi Engineering Journal
Creating Through Points in Linear Function with Parabolic Blends Path by Optimization Method
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The linear segment with parabolic blend (LSPB) trajectory deviates from the specified waypoints. It is restricted to that the acceleration must be sufficiently high. In this work, it is proposed to engage modified LSPB trajectory with particle swarm optimization (PSO) so as to create through points on the trajectory. The assumption of normal LSPB method that parabolic part is centered in time around waypoints is replaced by proposed coefficients for calculating the time duration of the linear part. These coefficients are functions of velocities between through points. The velocities are obtained by PSO so as to force the LSPB trajectory passing exactly through the specified path points. Also, relations for velocity correction and exact v

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Publication Date
Fri Dec 30 2022
Journal Name
Eastern-european Journal Of Enterprise Technologies
Experimental investigation and modelling of residual stresses in face milling of Al-6061-T3 using neural network
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Milling process is a common machining operation that is used in the manufacturing of complex surfaces. Machining-induced residual stresses (RS) have a great impact on the performance of machined components and the surface quality in face milling operations with parameter cutting. The properties of engineering material as well as structural components, specifically fatigue life, deformation, impact resistance, corrosion resistance, and brittle fracture, can all be significantly influenced by residual stresses. Accordingly, controlling the distribution of residual stresses is indeed important to protect the piece and avoid failure. Most of the previous works inspected the material properties, tool parameters, or cutting parameters, bu

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Publication Date
Sat Oct 04 2025
Journal Name
Infrastructures
Influence of Coarse Aggregate Geometry and Mineral Composition on the Durability of Asphalt Concrete
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The durability of asphalt concrete is highly dependent on the geometry and mineralogy of coarse aggregates, yet their combined influence on mechanical and moisture resistance properties is still not fully understood. This study evaluates the effects of coarse aggregate geometry, specifically flat and elongated particle ratios and angularity, as well as mineral composition (quartz versus calcite), on asphalt mixture durability. The durability of mixtures was evaluated through Marshall properties as well as moisture susceptibility indicators, including the tensile strength ratio (TSR) and index of retained strength (IRS). Statistical analyses (ANOVA and t-tests) were also conducted to confirm the significance of the observed effects.

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Publication Date
Tue Dec 01 2020
Journal Name
Baghdad Science Journal
Effect of Electrolyte Composition on Structural and Photoelectrochemical Properties of Titanium Dioxide Nanotube Arrays Synthesized by Anodization Technique
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The present work involves studying the effect of electrolyte composition [@1= 0.5 wt.%  NH4F / 5% H2O / 5% Glycerol (GLY)/ 90%  Ethylene Glycol (EG)] and [ @2= 0.5 wt. % NH4F / 5% H2O / 95%  Ethylene Glycol (EG)]  on the structural and photoelectrochemical properties of titania nanotubes arrays (TNTAs). TNTAs substrates were successfully carried out via anodization technique and were carried out in 40 V for one hour in different electrolytes (@1, and @2). The properties of physicochemical of TNTAs were distinguished via an X-ray Diffractometer (XRD), Field Emission Scanning Electron Microscope (FESEM), an Energy Dispersive X-ray (EDX), and UV–visible diffuse reflectance. T

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Publication Date
Mon Dec 20 2021
Journal Name
Baghdad Science Journal
Recurrent Stroke Prediction using Machine Learning Algorithms with Clinical Public Datasets: An Empirical Performance Evaluation
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Recurrent strokes can be devastating, often resulting in severe disability or death. However, nearly 90% of the causes of recurrent stroke are modifiable, which means recurrent strokes can be averted by controlling risk factors, which are mainly behavioral and metabolic in nature. Thus, it shows that from the previous works that recurrent stroke prediction model could help in minimizing the possibility of getting recurrent stroke. Previous works have shown promising results in predicting first-time stroke cases with machine learning approaches. However, there are limited works on recurrent stroke prediction using machine learning methods. Hence, this work is proposed to perform an empirical analysis and to investigate machine learning al

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Publication Date
Sun Mar 26 2017
Journal Name
Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)
Effect of Metformin Treatment on some Blood Biomarkers in Women with Endometriosis.
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 Endometriosis is a common women health disorder that occurs when Endometrial-like tissue grows outside the uterus. This may lead to irregular bleeding , pelvic pain, infertility and other complications.   Metformin,  because of its activity to improve  insulin sensitivity, it is  used for  the treatment of diabetes; it  also  has a modulatory  effect  on  ovarian  steroid  production and has  anti-inflammatory  properties,  all may  suggest  its possible effect in treatment  of endometriosis. This  study  was  planned  to  determine  the  effect  of  metformin  on serum levels  of&nbs

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Publication Date
Tue Jul 01 2008
Journal Name
Arabian Journal Of Geosciences
Sub-surface geometry of Ar Rika and Ruwah faults from gravity and magnetic surveys
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