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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 Oct 25 2025
Journal Name
Journal Of Baghdad College Of Dentistry
Cephalometric analysis of craniofacial deformity of ?-thalassemic major by using computed tomography
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Background: Thalassemia is a hereditary anemia resulting from defects in hemoglobin production. ?- thalassemia caused by decrease in the production of ?- globin chains affect multiple organs and is associated with cranio-oro-facial deformity which include prominent cheek bones and protrusive premaxilla with depression of the nasal bridge often referred to as “rodent or chip-munk face” with small mandible and Cl.II skeletal relationship. This study aimed to investigate cephalometric craniofacial parameters (skeletal) of ?- thalassemic major patients by using computed tomography and to compare findings with a group of healthy patients in the same age group. Subject, Materials and Method: The study included (40) patients with ?- thalassemi

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Publication Date
Fri Mar 01 2019
Journal Name
Al-khwarizmi Engineering Journal
Large Angle Bending Behavior of Curved Members Using The Method of Characteristics
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This paper deals with the nonlinear large-angle bending dynamic analysis of curved beams which investigated by modeling wave’s transmission along curved members. The approach depends on the wave propagation in one-dimensional structural element using the method of characteristics. The method of characteristics (MOC) is found to be a suitable method for idealizing the wave propagation inside structural systems. Timoshenko’s beam theory, which includes transverse shear deformation and rotary inertia effects, is adopted in the analysis. Only geometrical non-linearity is considered in this study and the material is assumed to be linearly elastic. Different boundary conditions and loading cases are examined.

From the results obtai

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Publication Date
Wed Jul 01 2015
Journal Name
Journal Of Engineering
Studying of Some Mechanical Properties of Reactive Powder Concrete Using Local Materials
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This research aims to investigate and evaluate a reactive powder concrete (RPC) cast using economical materials. Its mechanical properties were investigated and evaluated by studying the effects of using different cement and silica fume contents and locally steel fibers aspect ratios as reinforcement for this concrete. A compressive strength of about 155.2MPa, indirect tensile strength of 16.0MPa, modulus of elasticity of 48.7GPa, flexural strength of 43.5MPa, impact energy of 3294.4kN.m and abrasion loss 0.59%  have been achieved for reinforced RPC contains  910 kg/m3 cement content, silica fume content 185 kg/m3 of cement weight and fiber volume fraction 2%. The water absorption values w

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Publication Date
Sat Feb 27 2021
Journal Name
Journal Of Engineering
Improvement of Unconfined Compressive Strength of Soft Clay using Microbial Calcite Precipitates
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The precipitation of calcite induced via microorganisms (MICP) is a technique that has been developed as an innovative sustainable ground improvement method utilizing ureolytic bacteria to soil strengthening and stabilization. Locally isolated Bacillus Sonorensis from Iraqi soil samples were found to have high abilities in producing urease. This study aims to use the MICP technique in improving the undrained shear strength of soft clay soil using two native urease producing bacteria that help in the precipitation of calcite to increase the cementation between soil particles. Three concentrations of each of the locally prepared Bacillus sonorensis are used in this study for cementation reagent (0.25M, 0.5M, and 1M) during

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Publication Date
Mon Aug 01 2022
Journal Name
Iraqi Journal Of Soil Science
EFFECTIVE USE OF FERTILIZERS AND ANALYSIS OF SOIL USING PRECISION AGRICULTURE TECHNIQUES
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Soil fertility is a crucial factor in measuring soil quality, it indicates the extent to which soil can support plant life. Soil fertility is measured by the amount of macro and micronutrients, pH, etc. Soil nutrients are depleted after each harvest and therefore must be added. To maintain soil nutrient levels, fertilizer is added to the soil. Adding fertilizer in the precise amount is a matter of great importance because excess or insufficient application can harm plant life and reduce productivity. The use of modern technology is a solution to this problem. Although automated techniques for sowing, weeding, crop harvesting, etc. have been proposed and implemented, none of the techniques are aimed to maintaining soil fertility. The study a

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Publication Date
Tue Jan 08 2019
Journal Name
Iraqi Journal Of Physics
Photocatalytic removal of methylene blue dye by using of ZnS and CdS
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Photocatalytic degradation of methylene blue was studied using CdS and ZnS as catalyst. The photocatalytic activity of the specimen was studied by exposing to UV-radiation. The result shows that the degradation efficiency of the dye for CdS micro-particles was 92% after 7 hours and for ZnS micro-particles was 88.29% for the same time interval.

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Publication Date
Wed Dec 30 2009
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Prediction of the Point Efficiency of Sieve Tray Using Artificial Neural Network
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An application of neural network technique was introduced in modeling the point efficiency of sieve tray, based on a
data bank of around 33l data points collected from the open literature.Two models proposed,using back-propagation
algorithm, the first model network consists: volumetric liquid flow rate (QL), F foctor for gas (FS), liquid density (pL),
gas density (pg), liquid viscosity (pL), gas viscosity (pg), hole diameter (dH), weir height (hw), pressure (P) and surface
tension between liquid phase and gas phase (o). In the second network, there are six parameters as dimensionless
group: Flowfactor (F), Reynolds number for liquid (ReL), Reynolds number for gas through hole (Reg), ratio of weir
height to hole diqmeter

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Publication Date
Fri Nov 10 2023
Journal Name
2023 3rd International Scientific Conference Of Engineering Sciences (isces)
Using User Experience Metrics for Academic Management System of University of Baghdad
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Interface evaluation has been the subject of extensive study and research in human-computer interaction (HCI). It is a crucial tool for promoting the idea that user engagement with computers should resemble casual conversations and interactions between individuals, according to specialists in the field. Researchers in the HCI field initially focused on making various computer interfaces more usable, thus improving the user experience. This study's objectives were to evaluate and enhance the user interface of the University of Baghdad's implementation of an online academic management system using the effectiveness, time-based efficiency, and satisfaction rates that comply with the task questionnaire process. We made a variety of interfaces f

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Publication Date
Sun Sep 30 2018
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Kinetic Study of Hydroisomerization of n-Decane using Pt/SAPO-11 catalysts
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The hydroisomerization of n-decane was studied on SAPO-11 catalyst. Catalyst of 0.25wt.%Pt/SAPO-11 was prepared locally and used in the present work. The hydroconversion performed in a continuous fixed-bed laboratory reaction unit. Experiments of n-decane isomerization were performed in a temperature range of 200 to 275°C,LHSV range of 0.5-2 h-1, and hydrogen to decane mole ratio of 2.1-8.2. The results show that the n-decane conversion increases with increasing temperature and  decreasing LHSV , the maximum conversion 56.77 % was achieved at temperature 275°C and LHSV of 0.5 h-1. The kinetic of n-decane isomerization was also studied and the reaction was first order. The kinetic analysis also showed that the

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Publication Date
Tue Dec 30 2008
Journal Name
Al-kindy College Medical Journal
Using of Laser Therapy in the Treatment of Patients With Plantar Fasciitis
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Background: planter fasciitis is a common condition
seen in adults and sport men, it is characterized by dull
pain in the heel, especially when getting up and
standing on the foot in the morning or after sitting for a
long time.
Recently low level laser therapy is used as a method of
treatment.
Objective: to evaluate the benefit of laser therapy in
treatment of planter fasciitis.
Methods: Out of twenty five patients with planter
fasciitis exposed to laser therapy. Laser used is (diode
type) given in two cessions per week for four weeks,
time for each cession is about (12 minutes).
Results: complete recovery seen in (32%) of patients,
moderate improvement in (16%), mild improvement in
(24%), no

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