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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 01 2023
Journal Name
Technologies And Materials For Renewable Energy, Environment, And Sustainability: Tmrees23fr
Effect of gold nanoparticles synthesis by plasma jet scheme on normal cell lines

New evidence on nanotechnology has shown interest in the creation and assessment of nanoparticles for cancer treatment. Worldwide, a wide range of tumor-targeted approaches are being developed to reduce side effects and boost the efficacy of cancer therapy. One strategy that shows promise is the use of metallic nanoparticles to increase the radio sensitization of the cancer cells while reducing or maintaining the normal tissue complication probability during radiation therapy. In this study, atmospheric plasma was created using argon gas to create Au NPs using the plasma jet scheme, and their ability to induce apoptosis as an anticancer mechanism was tested. Aqueous gold tetrachloride salts (HAuCl4·3H2O) ere used to produce gold nanopartic

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Publication Date
Wed Feb 08 2023
Journal Name
Iraqi Journal Of Science
Bioactive Effect of Cinnamomum zealynicum bark Extracts on Some Locally Isolated Pathogenic Bacteria

A series of experiments were conducted to evaluate the antibacterial effect of Cinnamomum zealynicum bark aqueous , methanol, and chloroform extracts against some gram positive and gram negative pathogenic bacteria which isolated from wound, throat infection, urine and stool during the period from December /2013 to February /2014 from Alkarama hospital in Wasit. All these isolates were identified by using VITEK2 compact system. Antibiotic sensitivity test of the bacterial isolates was determined for ten antibiotics. Chemical analysis showed that Cinnamomum zeylanicum bark extracts contained different active compounds (phenoles, alkaloids, tannins, glycosides, coumarins, saponins, resins flavones and essential oil). The laboratory tests o

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Publication Date
Mon Apr 23 2018
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Antimicrobial activity of some plants extracts on bacteria isolated from acne vulgaris patients

Background: Acne is a cutaneous pleomorphic disorder skin disease most frequently occurring during the adolescent in ages of 12-24, with estimated  percentage ( 85%) . There are different ways to treat acne such as  using of antibiotics  , herpes , and mixing treatments .

Methods : Antibacterial activity  of  four concentrations (100,50,25,12.5)mg /ml of  alcoholic  and cold  aqueous  crude extracts of Cinnamon(Cinnamomum verum ), Henna (Lawsonia inermis ) , Lupine (Lupinus luteus) were studied against aerobic and&nbs

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Publication Date
Thu Apr 02 2020
Journal Name
Kufa Journal Of Engineering
PERFORMANCE OF SKIRTED CIRCULAR SHALLOW FOOTINGS RESTING ON SANDY SOIL UNDER INCLINED LOADS

Experimental tests were conducted to study the behavior of skirted foundations rested on dry medium sandy soil subjected to vertical and inclined loads. To achieve this goal, a small-scale physical model was designed and performed which contained an aluminum circular footing (100 mm) in diameter and (10 mm) in thickness and skirts with different heights, local medium poorly graded dry sand is placed in a steel soil container (2 mm) thick with internal dimensions (1000 mm x 1000 mm in cross section and 800 mm in height). The main objective of this study was to evaluate the response of skirt attached to the foundation at different skirt (L/D) ratios (0.0, 0.5, 1.0 and 1.5) and is subjected to point load at different angles of inclinat

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Publication Date
Thu Jun 01 2023
Journal Name
Baghdad Science Journal
Physiological and Hormonal Effects of Titanium Dioxide Nanoparticles on Thyroid and Kidney Functions

           Titanium dioxide nanoparticles (TiO2 NPs) are generally used in different types of applications such as the industry of plastics, paper industry, paints, toothpaste, cosmetics, sunscreens, and in various lifestyles, because of the vast range of applications and our daily exposure to these nanoparticles and a lack of information on animal and human health this study was designed to reveal dose and time-dependent effects of TiO2-NPs on the thyroid gland and kidney functions in male rats.

For this study 54, Sprague-Dawley albino adult male rats were classified into three main groups each of 18 rats treated for a particular duration (1,2, and 4) weeks respectively. Each group was subdivided i

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Publication Date
Sun Nov 19 2017
Journal Name
Journal Of Al-qadisiyah For Computer Science And Mathematics
Image Compression based on Fixed Predictor Multiresolution Thresholding of Linear Polynomial Nearlossless Techniques

Image compression is a serious issue in computer storage and transmission,  that simply makes efficient use of redundancy embedded within an image itself; in addition, it may exploit human vision or perception limitations to reduce the imperceivable information Polynomial coding is a modern image compression technique based on modelling concept to remove the spatial redundancy embedded within the image effectively that composed of two parts, the  mathematical model and the residual. In this paper, two stages proposed technqies adopted, that starts by utilizing the lossy predictor model along with multiresolution base and thresholding techniques corresponding to first stage. Latter by incorporating the near lossless com

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Publication Date
Fri Jan 15 2021
Journal Name
Obstetrics & Gynecology Science
Effects of excessive tea consumption on pregnancy weight gain and neonatal birth weight

Objective Tea lovers are increasing worldwide. We hope that this report is the first to discuss the possible impacts of high black tea consumption on gestational weight gain (GWG) and birth parameters. Methods Throughout one year, a total of 7,063 pregnant ladies coming for first antenatal visit were screened in a major tertiary center. Of them, 1,138 were involved and divided according to their preference into 3 groups: excessive tea (ET), usual tea (UT), and mixed beverages group. The study included women who gave birth to healthy neonates. Results The rate of ET consumption was 4.13% with a total of 41 cases. The UT group (controls) comprised 94 women. ET was significantly associated (P<0.05) with maternal age, parity, occupation, smokin

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Publication Date
Sun Dec 01 2019
Journal Name
Al-nahrain Journal Of Science
Adsorption of P-Aminodiphenylamine with Iodine Charge Transfer Complex on Surface Arundo Plant

charge transfer complex formed by interaction between the p- aminodiphenylamine (PADPA) as electron donor with iodine as electron acceptor in ethanol at 250C as evidenced by color change and absorption. The spectrum obtained from complex PADPA – Iodine shows absorptions bands at 586 nm. All the variables which affected on the stability of complex were studies such as temperature, pH, time and concentration of acceptor. The linearity of the method was observed within a concentration rang (10–165) mg.L-1 and with a correlation coefficient (0.9996), while the molar absorbitivity and sandell sensitivity were (4643.32) L.mol-1.cm-1 and (0.0943) μg.cm-2, respectively. The adsorption of complex PADPA–I2 was studied using adsorbent surfaces

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Publication Date
Tue Jan 01 2019
Journal Name
Indian Journal Of Public Health Research &amp; Development
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Publication Date
Tue Nov 19 2024
Journal Name
Iraqi Journal Of Agricultural Sciences
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