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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
Sat Jan 01 2022
Journal Name
Journal Of The Mechanical Behavior Of Materials
Reducing settlement of soft clay using different grouting materials
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Abstract<p>Different injection material types were tried in the injection of soft clay, such as lime (L), silica fume (SF), and leycobond-h (LH). In this study, experiments were made to study the effect of injection on soft clay consolidation settlement. A sample of natural soft clayey soil was investigated in the laboratory and the sample was injected with each of the grout materials used, L, SF, L + SF, and L + SF + LH. A 20 cm<sup>3</sup> of each slurry grout was conducted into the soil, which was compacted in California Bearing Ratio (CBR) mold and cured for 7 days, and then the sample was loaded to 80 N load by a circular steel footing 60 mm in diameter. The settlement was r</p> ... Show More
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Publication Date
Wed Mar 10 2021
Journal Name
Baghdad Science Journal
Solution of Variavle Delay integral eqiations using Variational approach
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The main objective of this research is to use the methods of calculus ???????? solving integral equations Altbataah When McCann slowdown is a function of time as the integral equation used in this research is a kind of Volterra

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Publication Date
Tue Jan 17 2017
Journal Name
International Journal Of Science And Research (ijsr)
Detection System of Varicose Disease using Probabilistic Neural Network
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Publication Date
Tue Dec 20 2022
Journal Name
2022 International Conference On Computer And Applications (icca)
Smart Healthcare Medical Bracelet using the Internet of Things
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Publication Date
Mon Dec 30 2013
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Concentration of Orange Juice Using Forward Osmosis Membrane Process
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Forward osmosis (FO) process was applied to concentrate the orange juice. FO relies on the driving force generating from osmotic pressure difference that result from concentration difference between the draw solution (DS) and orange juice as feed solution (FS). This driving force makes the water to transport from orange juice across a semi-permeable membrane to the DS without any energy applied. Thermal and pressure-driven dewatering methods are widely used, but they are prohibitively energy intensive and hence, expensive. Effects of various operating conditions on flux have been investigated. Four types of salts were used in the DS, (NaCl, CaCl2, KCl, and MgSO4) as osmotic agent and the experiments were performed at the concentration of

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Publication Date
Tue Sep 03 2019
Journal Name
Eastern-european Journal Of Enterprise Technologies
Prediction of spot welding parameters using fuzzy logic controlling
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Publication Date
Wed Aug 28 2024
Journal Name
Mathematical Modelling Of Engineering Problems
Structural and Stress Analysis of NACA0012 Wing Using SolidWorks
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Publication Date
Sun Jul 31 2016
Journal Name
International Journal Of Advanced Research
Attenuation Coefficient of Reactive Powder Concrete Using Different Energies.
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Publication Date
Wed Jul 30 2025
Journal Name
Industrial Laboratory. Diagnostics Of Materials
Simultaneous determination of metronidazole and thiamine using UV-spectroscopy
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The development of analytical techniques is required for the accurate and comprehensive detection and measurement of antibiotic contamination in the environment. Metronidazole is a common antibacterial, antiprotozoal, and antibiotic drug. Thiamine is a vital biological and medicinal ingredient that is involved in the metabolism of proteins, fats, and carbohydrates that produce energy. The study aims to identify the drugs in a mixture without separation to provide more information to confirm if a drug is present in a combination. Metronidazole and thiamine are two examples of pharmaceutical and environmental samples that can be identified using spectrophotometric techniques because of their low cost and simplicity of use. The operati

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Publication Date
Wed Feb 14 2024
Journal Name
2nd International Conference For Engineering Sciences And Information Technology (esit 2022): Esit2022 Conference Proceedings
Manufacture of wooden furniture paint using pistachio shell waste
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