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bsj-7064
A Theoretical Study of the Docking of Medicines with some Proteins
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A set of ten drug compounds containing an amino group in the structure were determined theoretically. The parameters were entered into a model to forecast the optimal values of practical (log P) medicinal molecules. The drugs were evaluated theoretically using different types of calculations which are AM1, PM3, and Hartree Fock at the basis set (HF/STO-3G). The Physico-chemical data like (entropy, total energy, Gibbs Free Energy,…etc were computed and played an important role in the predictions of the practical lipophilicity values. Besides, Eigenvalues named HOMO and LUMO were determined. Linearity was shown when correlated between the experimental data with the evaluated physical properties. The statistical analysis was used to analyze the descriptors like multiple linear regression analysis performed to derive quantitative structure-activity relationship models which were further evaluated for the values of the prediction. The correlation coefficient gives an excellent relationship of more than (0.980, 0.980, and 0.978) for AM1, PM3, and HF/STO-3G respectively. A docking study was applied for the interaction of medicines with protein. All the drugs were connected with the protein to give the best energy stability for the docking mixtures. Nepafenac (compound No. 8) had the most stable energy with the protein compared with the 4-Aminosalicylic acid (compound No. 2) which had less energy stability.

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Publication Date
Wed Apr 07 2021
Journal Name
Journal Of Legal Sciences
Substitution as a consequence of liability arising from breach of the promise of preference: A comparative study
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     The judicial transformation led by the French Court of Cassation about the consequence of liability arising from breach of the promise of preference led to the adoption of a new principle، whereby the beneficiary of the promise of preference would substitute with the third party in the concluded contract in violation of his right in preference. This shift، in turn، has been reflected on the legislative situation in France، where the French legislator adopted this principle in the New Contract Law of 2016.        

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Publication Date
Sat Jan 01 2022
Journal Name
Materials Research Express
Thermochromic and opacity behaviors in vanadium dioxide nanofilms: a theoretical study
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Abstract<p>Vanadium dioxide nanofilms are one of the most essential materials in electronic applications like smart windows. Therefore, studying and understanding the optical properties of such films is crucial to modify the parameters that control these properties. To this end, this work focuses on investigating the opacity as a function of the energy directed at the nanofilms with different thicknesses (1–100) nm. Effective mediator theories (EMTs), which are considered as the application of Bruggeman’s formalism and the Looyenga mixing rule, have been used to estimate the dielectric constant of VO<sub>2</sub> nanofilms. The results show different opacity behaviors at different w</p> ... Show More
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Publication Date
Sat Jan 01 2022
Journal Name
Materials Research Express
Thermochromic and opacity behaviors in vanadium dioxide nanofilms: a theoretical study
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Abstract<p>Vanadium dioxide nanofilms are one of the most essential materials in electronic applications like smart windows. Therefore, studying and understanding the optical properties of such films is crucial to modify the parameters that control these properties. To this end, this work focuses on investigating the opacity as a function of the energy directed at the nanofilms with different thicknesses (1–100) nm. Effective mediator theories (EMTs), which are considered as the application of Bruggeman’s formalism and the Looyenga mixing rule, have been used to estimate the dielectric constant of VO<sub>2</sub> nanofilms. The results show different opacity behaviors at different w</p> ... Show More
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Publication Date
Tue Nov 30 2021
Journal Name
Iraqi Journal Of Science
A Theoretical Study for Designing Optical Multilayer Films Using NdF3/ ThF4
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An idea of a colored glaze is presented in this study to hide and dispose all the obstacles of using solar systems as facades integrated with buildings. This aim is achieved  by designing multilayer optical interference filters by using Mat lab program . Appropriate dielectric materials, namely NdF3 of high refractive index (nH =1.6)  and ThF4 of low refractive index (nL =1.5143) were employed. Quarter wave thicknesses of high (H) and low (L) refractive index were deposited on a microscopic slide substrate with n=1.513 and 550 nm design wavelength (l°). Two optical models were designed, which are Air//HL//glass and Air//LH//glass,  for even numbers of layers (2-32 lay

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Publication Date
Thu Oct 26 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
A Study of Soluble Proteins(Spl and Sp2) Effect of extracted from Proteus mirabilis on the Activity of Superoxide Dismutase,SOD in the Sera of albino rabbit
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The  a i m  of  the  present  study  is  to  shed  some  light  on  the

imm u nol ogica l     effect   of  so lub l e  protei ns  extracted   from  Proteu mirabilis  th rough  em ployi ng t he  level  of  the en zy mati c  activity  of Superoxide Dismutase,SOD.

The    olublc  proteins·Sp I       and  Sp2,were  extracted   by  usi ng th e lysosyme   enzyme  .The  rabbits  were divided  into three groups  ,the fir t one was injected w

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Publication Date
Sat Mar 30 2013
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Theoretical Study on Heat Transfer in the Presence of Fouling
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The fouling depositions of crude oil stream were studied theoretically in a shell and tube heat exchanger to investigate the effect of depositions on the heat transfer process. The employed heat exchanger was with steam flowing in the inner tubes and crude oil in the shell at different velocities and bulk temperatures. It is assumed that fouling occurs only on the heated stream side (crude oil). The analysis was carried out for turbulent flow heat transfer conditions with wide range of Reynolds number, bulk temperature and time. Many previously proposed models for fouling resistance were employed to estimate a new model for fouling rate. It is found that the fouling rate and consequently the heat transfer coefficient were affected by Rey

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Publication Date
Sat Apr 01 2017
Journal Name
Desalination
Heat transfer coefficients and yield analysis of a double-slope solar still hybrid with rubber scrapers: An experimental and theoretical study
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Publication Date
Sun Nov 19 2017
Journal Name
Iraqi Journal Of Laser
Effects of Diode Laser 940 nm with and without 5 % Sodium Fluoride White Varnish with Tri-calcium Phosphate on Dentin Permeability (In vitro study)
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It is found that hypersensitive teeth have a larger number and wider patent tubules than those of non-sensitive teeth. Objective: The aim of this study is to compare between the effects of diode laser at different power densities, with and without sodium fluoride on the sealing of exposed dentinal tubules and dentin permeability. Materials and methods: 118 teeth were used. Samples were divided into three major groups. The first consisted of 100 teeth used for permeability test. The second consisted of 16 teeth for measuring external surface temperature elevation while irradiation. The third, in turn, consisted of one pair of teeth observed under SEM for dentine surface morphology analysis. Results: For dentin permeability measurement, th

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Publication Date
Tue Dec 01 2015
Journal Name
Journal Of Economics And Administrative Sciences
Organizational Red Tapes and their Reflections on Entrepreneurial Orientation: an Exploratory Study of a Sample of Employees in Some Organizations in the Province of Ninewah
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Organizations adopt a number of procedures and instructions in their field of activities in order to aid their resources development   and energies to serve their entrepreneurial orientations. This calls for preparing a range of mechanisms to mitigate the strictness and complexity of procedures. The ambiguity and severe  complexity  of procedures means acknowledging the loss in energy and this in turn  impedes the hopes while in the same time weakens the  enthusiasm in these organizations and an impedes the possibility to achieve continues innovation, thereby losing opportunities to the level of surrender to the risks and  assuming them to be unconquered obstacles.

There

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Publication Date
Tue Jan 01 2002
Journal Name
University Of Baghdad
theoretical study of the drift velocity of electron in sf6-n2
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