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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
Fri Sep 23 2016
Journal Name
Spie Proceedings
Quantifying charge trapping and molecular doping in organic p-i-n diodes
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Publication Date
Thu Feb 01 2024
Journal Name
Baghdad Science Journal
Traditional and molecular methods for diagnosing bacterial meningitis in Erbil city, Iraq
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Bacterial meningitis is a leading cause of illness and death worldwide. It is crucial for clinical and public health care, as well as disease control, to identify the meningitis-causing agent promptly. Between June 2021-February 2022, a total of 100 cerebrospinal fluid (CSF) and blood samples were collected from suspected cases of meningitis admitted to Raparin Paediatric Teaching Hospital, Erbil city-Iraq. Cytochemical, cultural, and biochemical tests were conducted, and confirmed by molecular techniques. Bacterial culture findings were positive in 7% of CSF samples and just one positive among blood samples. The most common pathogens found by cultural characteristics and VITEK 2 Compact System were Staphylococcus sciuri in two

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Publication Date
Thu Sep 23 2021
Journal Name
Egyptian Journal Of Chemistry
Some 3,4,5-Trisubstituted-1,2,4-triazole Synthesis, Antimicrobial Activity, and Molecular Docking Studies
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Publication Date
Sun Dec 01 2002
Journal Name
Iraqi Journal Of Physics
New DCT-Based Image Hiding Technique
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A new technique for embedding image data into another BMP image data is presented. The image data to be embedded is referred to as signature image, while the image into which the signature image is embedded is referred as host image. The host and the signature images are first partitioned into 8x8 blocks, discrete cosine transformed “DCT”, only significant coefficients are retained, the retained coefficients then inserted in the transformed block in a forward and backward zigzag scan direction. The result then inversely transformed and presented as a BMP image file. The peak signal-to-noise ratio (PSNR) is exploited to evaluate the objective visual quality of the host image compared with the original image.

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Publication Date
Mon Feb 01 2021
Journal Name
Journal Of Physics: Conference Series
Graphical password based mouse behavior technique
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Abstract<p>This paper proposes a new password generation technique on the basis of mouse motion and a special case location recognized by the number of clicks to protect sensitive data for different companies. Two, three special locations click points for the users has been proposed to increase password complexity. Unlike other currently available random password generators, the path and number of clicks will be added by admin, and authorized users have to be training on it.</p><p>This method aims to increase combinations for the graphical password generation using mouse motion for a limited number of users. A mathematical model is developed to calculate the performance</p> ... Show More
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Publication Date
Fri Jul 21 2023
Journal Name
Journal Of Engineering
Spectral Technique for Baud Time Estimation
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A new approach for baud time (or baud rate) estimation of a random binary signal is presented. This approach utilizes the spectrum of the signal after nonlinear processing in a way that the estimation error can be reduced by simply increasing the number of the processed samples instead of increasing the sampling rate. The spectrum of the new signal is shown to give an accurate estimate about the baud time when there is no apriory information or any restricting preassumptions. The performance of the estimator for random binary square waves perturbed by white Gaussian noise and ISI is evaluated and compared with that of the conventional estimator of the zero crossing detector.

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Publication Date
Tue Aug 01 2023
Journal Name
Baghdad Science Journal
Performance Evaluation of a Triple Concentric Tube Heat Exchanger Using Deionized Water and Oil-40
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This study examines experimentally the performance of a horizontal triple concentric tube heat exchanger TCTHE made of copper metal using water as cooling fluid and oil-40 as hot fluid. Hot fluid enters the inner annular tube of the TCTHE in a direction at a temperature of 50, 60 and 70 oC and a flow rate of 20 l/hr. On the other hand, the cooling fluid enters the inner tube and the outer annular tube in the reverse direction (counter current flow) at a temperature of 25 oC and flow rates of 10, 15, 20, 25, 30 and 35 l/hr. The TCTHE is composed of three copper tubes with outer diameters of 34.925 mm, 22.25 mm, and 9.525 mm, and thicknesses of 1.27 mm, 1.143 mm, and 0.762 mm, respectively. TCTHE tube's length was 670

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Publication Date
Wed Nov 28 2018
Journal Name
Al-khwarizmi Engineering Journal
Effect of Using Combined Square Nozzle & winglet with Helical Tape on Thermal Characteristics in Tube Heat Exchanger
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Influence of combined square nozzle with helical tape inserted in a constant heat flux tube on heat transfer enhancement for turbulent airflow for Reynolds number ranging from 7000 to 14500 were investigated experimentally. Three different pitch ratios for square nozzle (PR = 5.8, 7.7 and 11.6) according to three different numbers of square nozzle (N = 3, 4 and 5) and constant pitch ratios for helical tape were used. The results observed that the Nusselt number and friction factor for combination with winglets were found to be up to 33.8 % and 21.4 %, respectively higher than nozzle alone for pitch ratio PR=5.8. The maximum value of thermal performance for using combination with winglets was about 1.351 for pitch ratio= 5.8. Nusselt numb

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Publication Date
Wed Dec 27 2023
Journal Name
Journal Of Planner And Development
Priorities for the reconstruction of religious buildings in the old city of Mosul using Expert Choice program
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This paper attempts to shed light on the most influential factors in the importance of religious buildings were destroyed because of the recent war due to the control of terrorist gangs of ISIS over the city of Mosul, and to prioritize their reconstruction and their role in reviving the historical center of Mosul.

The research’s problem emerged in the lack of knowledge about the identifying the most influential factors in the importance of religious buildings and utilizing them to prioritize their reconstruction. This study aims to analyze the factors influencing the importance of religious buildings using the Expert Choice software through the Analytic Hierarchy Process (AHP) to reach an analysis of their weights and propose p

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Publication Date
Sun Jun 20 2021
Journal Name
Baghdad Science Journal
Wireless Propagation Multipaths using Spectral Clustering and Three-Constraint Affinity Matrix Spectral Clustering
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This study focused on spectral clustering (SC) and three-constraint affinity matrix spectral clustering (3CAM-SC) to determine the number of clusters and the membership of the clusters of the COST 2100 channel model (C2CM) multipath dataset simultaneously. Various multipath clustering approaches solve only the number of clusters without taking into consideration the membership of clusters. The problem of giving only the number of clusters is that there is no assurance that the membership of the multipath clusters is accurate even though the number of clusters is correct. SC and 3CAM-SC aimed to solve this problem by determining the membership of the clusters. The cluster and the cluster count were then computed through the cluster-wise J

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