Preferred Language
Articles
/
bsj-4719
Reactivity of O-Drug Bond in some Suggested Voltarine Carriers: Semiempirical and ab Initio Methods

In this work, the possibility to use new suggested carriers (D= Aspirin, Ibuprofen, Paracetamol, Tramal) is discussed for diclofenac drug (voltarine) by using quantum mechanics calculations. The calculation methods (PM3) and (DFT) have been used for determination the reaction path of (O-D) bond rupture energies. Different groups of drugs as a carrier for diclofenac prodrugs (in a vacuum) have been used; at their optimized geometries. The calculations included the geometrical structure and some of the physical properties, in addition to the toxicity, biological activity, and NLO properties of the prodrugs, investigated using HF method. The calculations were done by Gaussian 09 program. The comparison was made for total energies of reactants, activation energies, and transition states to final products. The suggested prodrugs aim to improve the diclofenac carrier's properties and obtain new alternatives for the approved carriers theoretically.

Scopus Clarivate Crossref
View Publication Preview PDF
Quick Preview PDF
Publication Date
Sat Jan 20 2024
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Synthesis, Biological and Medicinal Evaluation of New Boric Acid Ester Derived From Antibiotic Drug with Some of Its Metal Complexes

Synthesis of new ligand, namely [bis(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl) hydrogen borate] (BIB), utilizing the reaction of metronidazole with boric acid in mole ratio (2:1), as well as the metal complexes with [Ni(II) and Cu(II)], were synthesized. All synthesized compounds were characterized by utilizing spectroscopic techniques such as FTIR, 1H-NMR, thermal analysis (T.G., UV-Vis), and atomic absorption (A.A.S.), as well as micro elemental analysis (C.H.N.), melting point (m.p), magnetic susceptibility, molar conductivity, and chloride content measurements. All complexes were paramagnetic, and the electrolyte and the suggested geometries were tetrahedral for nickel and octahedral for copper. In addition, all the transition meta

... Show More
Crossref
View Publication Preview PDF
Publication Date
Tue Mar 30 2021
Journal Name
Journal Of Economics And Administrative Sciences
Comparison of Some Methods for Estimating Parameters of General Linear Model in Presence of Heteroscedastic Problem and High Leverage Points

Linear regression is one of the most important statistical tools through which it is possible to know the relationship between the response variable and one variable (or more) of the independent variable(s), which is often used in various fields of science. Heteroscedastic is one of the linear regression problems, the effect of which leads to inaccurate conclusions. The problem of heteroscedastic may be accompanied by the presence of extreme outliers in the independent variables (High leverage points) (HLPs), the presence of (HLPs) in the data set result unrealistic estimates and misleading inferences. In this paper, we review some of the robust

... Show More
Crossref
View Publication Preview PDF
Publication Date
Fri Oct 28 2022
Journal Name
Political Sciences Journal
The Difficulties of Teaching Political Science Research Methods: A Comparative Study between Western and Arab Universities

This research aims to identify the reality of teaching political science research methods curriculum, to observe practices, and differences in teaching and learning between the Arab and Western universities. Moreover, it focuses on the difficulties that face students' acquisition of the course skills. The research uses the course model of some Western and Arab universities as case study.

This research shows that the curriculum do not reach yet the final form as other political science curriculums, and its upcoming changes will reflect the needs of stakeholders. The best method to teach this curriculum is to use applied learning in groups, learning by doing, and finally problem-based learning approach. Using optimal assessment deep

... Show More
Crossref
View Publication Preview PDF
Publication Date
Tue Dec 01 2020
Journal Name
Baghdad Science Journal
Approximate Numerical Solutions for Linear Volterra Integral Equations Using Touchard Polynomials

In this paper, Touchard polynomials (TPs) are presented for solving Linear Volterra integral equations of the second kind (LVIEs-2k) and the first kind (LVIEs-1k) besides, the singular kernel type of this equation. Illustrative examples show the efficiency of the presented method, and the approximate numerical (AN) solutions are compared with one another method in some examples. All calculations and graphs are performed by program MATLAB2018b.

Scopus (4)
Crossref (1)
Scopus Clarivate Crossref
View Publication Preview PDF
Publication Date
Thu Aug 01 2019
Journal Name
Journal Of Economics And Administrative Sciences
Some Estimation methods for the two models SPSEM and SPSAR for spatially dependent data

ABSTRUCT

In This Paper, some semi- parametric spatial models were estimated, these models are, the semi – parametric spatial error model (SPSEM), which suffer from the problem of spatial errors dependence, and the semi – parametric spatial auto regressive model (SPSAR). Where the method of maximum likelihood was used in estimating the parameter of spatial error          ( λ ) in the model (SPSEM), estimated  the parameter of spatial dependence ( ρ ) in the model ( SPSAR ), and using the non-parametric method in estimating the smoothing function m(x) for these two models, these non-parametric methods are; the local linear estimator (LLE) which require finding the smoo

... Show More
Crossref
View Publication Preview PDF
Publication Date
Mon Jul 20 2020
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Solving Some Fractional Partial Differential Equations by Invariant Subspace and Double Sumudu Transform Methods

      In this paper, several types of space-time fractional partial differential equations has been solved by using most of special double linear integral transform ”double  Sumudu ”. Also, we are going to argue the truth of these solutions by another analytically method “invariant subspace method”. All results are illustrative numerically and graphically.

Crossref
View Publication Preview PDF
Publication Date
Thu Jun 30 2016
Journal Name
European Journal Of Chemistry
Reaction paths and transition states of the C-C and C-H bond cleavage in the aromatic anthracene and phenanthrene molecules

The reaction paths of the C-C and C-H bond cleavage in the anthracene and phenanthrene aromatic molecules are studied by applying the ab-initio DFT method. It is found that the C-C bond cleavage proceeds via a singlet aromatic transition state, compelled through a disrotatoric ring opening reaction. A suprafacial H atom shift follows the transition state, leading to the formation of a methylene -CH2 and an acetylenic or allenic moiety. The calculated activation energies for anthracene range from 158.81-208.90 kcal/mol and the reaction energies from 96.106-156.976 kcal/mol. For phenanthrene, the energy values are 157.39-202.34 kcal/mol and 62.639-182.423 kcal/mol, respectively. For the C-H cleavage reactions, the calculated reaction energies

... Show More
Crossref (2)
Crossref
View Publication
Publication Date
Tue Jan 01 2013
Journal Name
Journal Of Engineering
Numerical Prediction of Bond-Slip Behavior in Simple Pull-out Concrete Specimen

In this study the simple pullout concrete cylinder specimen reinforced by a single steel bar was analyzed for bond-slip behavior. Three-dimension nonlinear finite element model using ANSYS program was employed to study the behavior of bond between concrete and plain steel reinforcement. The ANSYS model includes eight-noded isoperimetric brick element (SOLID65) to model the concrete cylinder while the steel reinforcing bar was modeled as a truss member (LINK8). Interface element (CONTAC52) was used in this analysis to model the bond between concrete and steel bar. Material nonlinearity due to cracking and/or crushing of concrete, and yielding of the steel reinforcing bar were taken into consideration during the analysis. The accuracy of this

... Show More
Publication Date
Thu Sep 01 2011
Journal Name
Journal Of Baghdad College Of Dentistry
Push out bond strength of different obturation systems (An in vitro study)

Background: The bond strength of the root canal sealers to dentin seems to be a very important property for maintaining the integrity and the seal of root canal filling. The aim of this study was to evaluate the shear bond strength of four different obturation systems using push-out test. Materials and methods: Forty straight palatal roots of the maxillary first molars teeth were used in this study, these roots were instrumented using crown down technique and ProTaper system, instrumentation were done with copious irrigation of 2.5% sodium hypochlorite and 17% buffered solution of EDTA was used as final irrigant followed by distilled water, roots were randomly divided into four groups according to the obturation system (ten teeth for each g

... Show More
View Publication Preview PDF
Publication Date
Wed May 10 2023
Journal Name
Journal Of Engineering
Numerical Prediction of Bond-Slip Behavior in Simple Pull-Out Concrete Specimens

In this study the simple pullout concrete cylinder specimen reinforced by a single steel bar was analyzed for bond-slip behavior. Three-dimension nonlinear finite element model using ANSYS program was employed to study the behavior of bond between concrete and plain steel reinforcement. The ANSYS model includes eight-noded isoperimetric brick element (SOLID65) to model the concrete cylinder while the steel reinforcing bar was modeled as a truss member (LINK8). Interface element (CONTAC52) was used in this analysis to model the bond between concrete and steel bar. Material nonlinearity due to cracking and/or crushing of concrete, and yielding of the steel reinforcing bar were taken into consideration during the analysis. The accuracy of t

... Show More
Crossref (4)
Crossref
View Publication Preview PDF