Preferred Language
Articles
/
jmracpc-250
GEOMETRY OPTIMIZATION OF COUPLING ALLIN -METFORMIN USING DFT/B3LYP MOLECULAR MODELLING TECHNIQUE: GEOMETRY OPTIMIZATION OF COUPLING ALLIN -METFORMIN USING DFT/B3LYP MOLECULAR MODELLING TECHNIQUE
...Show More Authors

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.

View Publication Preview PDF
Quick Preview PDF
Publication Date
Tue Oct 08 2002
Journal Name
Iraqi Journal Of Laser
Study of Laser Propagation Parameters in the Underdense Plasma Region Using a Two Dimensional Simulation Code
...Show More Authors

The propagation of laser beam in the underdense deuterium plasma has been studied via computer simulation using the fluid model. An appropriate computer code “HEATER” has been modified and is used for this purpose. The propagation is taken to be in a cylindrical symmetric medium. Different laser wavelengths (1 = 10.6 m, 2 = 1.06 m, and 3 = 0.53 m) with a Gaussian pulse type and 15 ns pulse widths have been considered. Absorption energy and laser flux have been calculated for different plasma and laser parameters. The absorbed laser energy showed maximum for  = 0.53 m. This high absorbitivity was inferred to the effect of the pondermotive force.

View Publication Preview PDF
Publication Date
Fri Sep 30 2011
Journal Name
Al-khwarizmi Engineering Journal
Analysis of Temperature and Residual Stress Distribution in CO2 Laser Welded Aluminum 6061 Plates Using FEM
...Show More Authors

This paper develops a nonlinear transient three-dimensional heat transfer finite element model and a rate independent three-dimensional deformation model, developed for the CO2 laser welding simulations in Al-6061-T6 alloy. Simulations are performed using an indirect coupled thermal-structural method for the process of welding. Temperature-dependent thermal properties of Al-6061-T6, effect of latent heat of fusion, and the convective and radiative boundary conditions are included in the model. The heat input to the model is assumed to be a Gaussian heat source. The finite element code ANSYS12, along with a few FORTRAN subroutines, are employed to obtain the numerical results. The benefit of the proposed methodology is that it

... Show More
View Publication Preview PDF
Publication Date
Thu Oct 03 2024
Journal Name
Applied Organometallic Chemistry
Synthesis, Characterization, Molecular Docking, Cytotoxicity, and Antimicrobial Activity of Schiff Base Ligand and Its Metal Complexes
...Show More Authors

A Schiff base ligand (L) was synthesized via condensation of N-( 1-naphthyl) ethylenediamine dihydrochloride with phthalaldehyde. The ligand was characterized by FT-IR, UV–Vis, 1H NMR, mass spectrometry, and elemental analysis (C, H, N). Five metal complexes (Co(II), Ni(II), Cu(II), Zn(II), and Cd(II)) were prepared with the ligand in a 1:1 (M:L) ratio using an aqueous ethanol solution. The complexes were characterized by FT-IR, UV–Vis, mass spectrometry, and elemental analysis (C, H, N). Additionally, 1H NMR spectroscopy was employed for Cd(II) complex. Antimicrobial activity of the ligand and its metal complexes against pathogenic bacteria (K. pneumoniae, E. coli, S. aureus, and S. epidermidis) and fungus (C. albicans) were evaluated

... Show More
Scopus (3)
Crossref (4)
Scopus Clarivate Crossref
Publication Date
Sun Mar 30 2014
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Optimization of Activated Carbon Preparation from Date Stones by Microwave Assisted K2CO3 Activation
...Show More Authors

The preparation of activated carbon (AC) from date stones by using microwave assisted K2CO3 activation was investigated in this paper. The influence of radiation time, radiation power, and impregnation ratio on the yield and methylene blue (MB) uptake of such carbon were studied. Based on Box-Wilson central composite design, two second order polynomial models were developed to correlate the process variables to the two responses. From the analysis of variance the significant variables on each response were identified. Optimum coditions of 8 min radiation time, 660 W radiation power and 1.5 g/g impregnation ratio gave 460.123 mg/g MB uptake and 19.99 % yield. The characteristics of the AC were examined by pore structure analysis, and scan

... Show More
View Publication Preview PDF
Publication Date
Sat Jan 01 2022
Journal Name
Desalination And Water Treatment
Optimization and kinetic evaluation of reactive yellow dye degradation by solar photocatalytic process
...Show More Authors

View Publication
Scopus (2)
Crossref (3)
Scopus Clarivate Crossref
Publication Date
Thu Aug 31 2017
Journal Name
Journal Of Engineering
Enhanced Performance of Consensus Wireless Sensor Controlled System via Particle Swarm Optimization Algorithm
...Show More Authors

     This paper describes the application of consensus optimization for Wireless Sensor Network (WSN) system. Consensus algorithm is usually conducted within a certain number of iterations for a given graph topology. Nevertheless, the best Number of Iterations (NOI) to reach consensus is varied in accordance with any change in number of nodes or other parameters of . graph topology. As a result, a time consuming trial and error procedure will necessary be applied
to obtain best NOI. The implementation of an intellig ent optimization can effectively help to get the optimal NOI. The performance of the consensus algorithm has considerably been improved by the inclusion of Particle Swarm Optimization (PSO). As a case s

... Show More
View Publication Preview PDF
Publication Date
Sun Jun 30 2024
Journal Name
Malaysian Journal Of Science
SIMPLEX OPTIMIZATION FOR THE SPECTROPHOTOMETRIC DETERMINATION OF AZITHROMYCIN DRUG VIA ION-PAIR FORMATION
...Show More Authors

A spectrophotometric determination of azithromycin was optimized using the simplex model. The approach has been proven to be accurate and sensitive. The analyte has been reacted with bromothymol blue (BTB) to form a colored ion pair which has been extracted in chloroform in a buffer medium of pH=4 of potassium phthalate. The extracted colored product was assayed at 415 nm and exhibited a linear quantification range over (1 - 20) g/ml. The excipients did not exhibit any interferences with the proposed approach for assaying azithromycin in pharmaceutical formulations.

View Publication
Scopus
Publication Date
Sun Jan 14 2018
Journal Name
Journal Of Engineering
Optimum Design of Power System Stabilizer based on Improved Ant Colony Optimization Algorithm
...Show More Authors

This paper presents an improved technique on Ant Colony Optimization (ACO) algorithm. The procedure is applied on Single Machine with Infinite Bus (SMIB) system with power system stabilizer (PSS) at three different loading regimes. The simulations are made by using MATLAB software. The results show that by using Improved Ant Colony Optimization (IACO) the system will give better performance with less number of iterations as it compared with a previous modification on ACO. In addition, the probability of selecting the arc depends on the best ant performance and the evaporation rate.

 

View Publication Preview PDF
Publication Date
Wed Jul 05 2023
Journal Name
Chalcogenide Letters
Optimization physical properties of CdTe /Si solar cell devices fabricated by vacuum evaporation
...Show More Authors

We investigated at the optical properties, structural makeup, and morphology of thin films of cadmium telluride (CdTe) with a thickness of 150 nm produced by thermal evaporation over glass. The X-ray diffraction study showed that the films had a crystalline composition, a cubic structure, and a preference for grain formation along the (111) crystallographic direction. The outcomes of the inquiry were used to determine these traits. With the use of thin films of CdTe that were doped with Ag at a concentration of 0.5%, the crystallization orientations of pure CdTe (23.58, 39.02, and 46.22) and CdTe:Ag were both determined by X-ray diffraction. orientations (23.72, 39.21, 46.40) For samples that were pure and those that were doped with

... Show More
View Publication
Scopus (7)
Crossref (5)
Scopus Clarivate Crossref
Publication Date
Mon Mar 30 2020
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Optimization of Hole Cleaning and Cuttings Removal in High Inclined Till Horizontal Well
...Show More Authors

The goal of this experimental study is to determine the effects of different parameters (Flow rate, cuttings density, cuttings size, and hole inclination degree) on hole cleaning efficiency. Freshwater was used as a drilling fluid in this experiment. The experiments were conducted by using flow loop consist of approximately 14 m (46 ft) long with transparent glass test section of 3m (9.84 ft.) long with 4 inches (101.6 mm) ID, the inner metal drill pipe with 2 inches (50.8 mm) OD settled with eccentric position positive 0.5. The results obtained from this study show that the hole cleanings efficiency become better with high flow rate (21 m3/hr) and it increase as the hole inclination angles increased from 60 to 90 degree due to dominated

... Show More
View Publication Preview PDF
Crossref (1)
Crossref