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Computational modeling study on the physical properties of Pd doped BaTiO3 perovskite

This contribution investigates structural, electronic, and optical properties of cubic barium titanate (BaTiO3) perovskites using first-principles calculations of density functional theory (DFT). Generalized gradient approximations (GGA) alongside with PW91 functional have been implemented for the exchange–correlation potential. The obtained results display that BaTiO3 exhibits a band gap of 3.21 eV which agrees well with the previously experimental and theoretical literature. Interestingly, our results explore that when replacing Pd atom with Ba and Ti atoms at 0.125 content a clear decrease in the electronic band gap of 1.052 and 1.090 eV located within the visible range of electromagnetic wavelengths (EMW). Optical parameters such as absorption, reflectivity, the real and imaginary components of the dielectric function, Loss function, reflective index, extinction coefficient were calculated. Thus, the current findings reveal that Pd–BaTiO3 is a promising composition to be synthesised experimentally for various optoelectronic applications. The predicted negative formation energies values of the inspected structures are indicating to exothermic formation process of such materials and more interestingly indicating also to the stability and possibility of synthesizing such materials experimentally.

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Publication Date
Sun Jan 20 2019
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
On Shrinkage Estimation for R(s, k) in Case of Exponentiated Pareto Distribution

   This paper concerns with deriving and estimating the reliability of the multicomponent system in stress-strength model R(s,k), when the stress and strength are identical independent distribution (iid), follows two parameters Exponentiated Pareto Distribution(EPD) with the unknown shape and known scale parameters. Shrinkage estimation method including Maximum likelihood estimator (MLE), has been considered. Comparisons among the proposed estimators were made depending on simulation based on mean squared error (MSE) criteria.

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Publication Date
Wed Dec 12 2018
Journal Name
International Journal Of Pharmaceutical Research
Effect of Carbamazepine Drug on Liver Ultrastructure in Female White Mice (Mus musculus)

Epilepsy is the most common neurological disorder after Alzheimer and other cerebrovascular diseases. Antiepileptic drugs (AED's) are one of the most important methods to prevent epileptic seizers. Antiepileptic drugs can cause damage to the liver which is the largest and most important glandular organ in the body with many other drugs. Carbamazepine (CBZ) is a known anticonvulsant that is widely used and known for a decade, it was used to treat trigeminal neuralgia, bipolar disorder and epilepsy and it can cause hepatotoxicity. In this study female white mice received CBZ suspension at a dose of 20 mg/kg/mouse via gastric gavage for 30 days, tissue samples were collected for scanning electron microscopy. We observed the adverse effects of

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Publication Date
Sat Apr 30 2022
Journal Name
Iraqi Journal Of Science
Phytochemical Screening and in Vitro Antimicrobial Activities of Euphorbia Lateriflora on Selected Pathogens

     Euphorbia lateriflora is a popular traditional medicinal plant whose leaves are used in Africa, especially Nigeria, to treat wounds and many diseases. This study investigated the preliminary phytochemical constituents, secondary metabolites by High-Performance Liquid Chromatography “HPLC” technique, and antimicrobial potentials (Minimum Inhibitory Concentration “MIC”, Minimum Fungicidal Concentration “MFC” and disc diffusion assay) of various concentrations (100 mg/mL, 50 mg/ml, and 25 mg/mL) of the solvents (ethyl acetate and n-hexane) extracts of E. lateriflora against Staphylococcus aureus, Escherichia coli and Candida albicans. The phytochemical screening revealed that

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Publication Date
Wed Jun 02 2021
Journal Name
Iop Conference Series: Earth And Environmental Science
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Publication Date
Sun Sep 06 2009
Journal Name
Baghdad Science Journal
Effect of some Factors on Human Peripheral Lymphocyte Cytogenetics In Pesticide ExXPOSED GROUPS

The effect of smoking, age and exposure duration in pesticide risk groups were studied > Groups were all men and included farmers (25), pesticide sellers (25), pesticides manufacture workers (Al-Tark factory for agricultural pesticide production) (25), Control group (25) were from Baghdad university staff (living in Baghdad city) > The cytogenetic parameters studied were Chromosomal aberrations (CA), induction of micronuclei (Mn)formation .Results revealed that smoking synergized pesticides exposure in induction of structural CAs in all groups with significant differences (P<0.01) and the worst effect recorded in workers , the increment was more than folds the level of control group (0.68) for the non smokers and was 5.78 times (control gr

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Publication Date
Sun Mar 06 2016
Journal Name
Baghdad Science Journal
Assessment of Pro Hepcidin and Related with Iron Profile on Hemodialysis Men Patients

Patients with renal failure in the final stages undergo the treatment by hemodialysis. Hemodialysis is used to reinstate the intracellular and extracellular fluid environment, by propagation of molecules in solution through a semipermeable membrane along an electrochemical concentration gradient. Blood catching in the dialysis machine and the recurrent phlebotomy may lead to losing about 1-3 g of iron per year. Prohepcidin hormone is an acute phase protein (type II) that plays a major role in the systemic iron irregularities as it is a mediator of anemia in inflammation and regulator of iron metabolism. This study aims to evaluate the effect of hemodialysis on iron hemostasis and its relationship with prohepcidin as an inflammatory mark

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Publication Date
Fri Dec 01 2023
Journal Name
Baghdad Science Journal
Corrosion Inhibition Efficiency Investigation of Yttrium Oxide Nanoparticles Coated on Carbon Steel Alloy

Metal oxide nanoparticles demonstrate uniqueness in various technical applications due to their suitable physiochemical properties. In particular, yttrium oxide nanoparticle(Y2O3NPs) is familiar for technical applications because of its higher dielectric constant and thermal stability. It is widely used as a host material for a variety of rare-earth dopants, biological imaging, and photodynamic therapies. In this investigation, yttrium oxide nanoparticles (Y2O3NPs) was used as an ecofriendly corrosion inhibitor through the use of scanning electron microscopy (SEM), Fourier transforms infrared spectroscopy (FT-IR), UV-Visible spectroscopy, X-ray diffraction (XRD), and energy dispersive X-ray spe

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Publication Date
Mon Oct 01 2007
Journal Name
Journal Of The Faculty Of Medicine Baghdad
Flexor tend on injury of hand at zone II Early or delayed suture ?

Background: The healing of a sutured tendon in the hand usually occur with an unwanted amount of scarring that defeat good results. Many variables has been studied over many decades; timing of repair M’as a matter of debate. Zone II is the area where those variables mostly affect the results of treatment.
Objective: To study and evaluate the results of early or delayed repair under the effects of our local variables.
Method: Prospective study of 85 patients, which had flexor tendon repair at zone II by primary repair, delayed primary repair and tendon graft.
Results: Results showed a primary repair ended with better functional results than those with delayed repair and than those with tendon graft. Excellent & good results

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Publication Date
Fri Mar 01 2019
Journal Name
Al-khwarizmi Engineering Journal
Improve Akaike’s Information Criterion Estimation Based on Denoising of Quadrature Mirror Filter Bank

Akaike’s Information Criterion (AIC) is a popular method for estimation the number of sources impinging on an array of sensors, which is a problem of great interest in several applications. The performance of AIC degrades under low Signal-to-Noise Ratio (SNR). This paper is concerned with the development and application of quadrature mirror filters (QMF) for improving the performance of AIC. A new system is proposed to estimate the number of sources by applying AIC to the outputs of filter bank consisting quadrature mirror filters (QMF). The proposed system can estimate the number of sources under low signal-to-noise ratio (SNR).

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Publication Date
Sun Mar 05 2017
Journal Name
Baghdad Science Journal
Notes on Traces of a Symmetric Generalized (?, ?)-Biderivations and Commutativity in Prime Rings

Let R be a 2-torision free prime ring and ?, ?? Aut(R). Furthermore, G: R×R?R is a symmetric generalized (?, ?)-Biderivation associated with a nonzero (?, ?)-Biderivation D. In this paper some certain identities are presented satisfying by the traces of G and D on an ideal of R which forces R to be commutative

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