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DFT + U and ab initio atomistic thermodynamics approache for mixed transitional metallic oxides: A case study of CoCu 2 O 3 surface terminations
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This study develops a systematic density functional theory alongside on-site Coulomb interaction correction (DFT + U) and ab initio atomistic thermodynamics approachs for ternary (or mixed transitional metal oxides), expressed in three reservoirs. As a case study, among notable multiple metal oxides, synthesized CoCu2O3 exhibits favourable properties towards applications in solar, thermal and catalytic processes. This progressive contribution applies DFT + U and atomistic thermodynamic approaches to examine the structure and relative stability of CoCu2O3 surfaces. Twenty-five surfaces along the [001], [010], [100], [011], [101], [110] and [111] low-Miller-indices, with varying surface-termination configurations were selected in this study. The results portray satisfactory geometrical parameters for bulk CoCu2O3, and a band gap of 1.25 e V. Furthermore, we clarified the stoichiometrically balanced inverted (010)CoCuO, and the non-stoichiometric (001)CuOCu, (001)CoOCo, (110)OCoO and (110)CoOCu surface terminations as the most stable configurations, out of which, the (001)CuOCu shows the optimum stability in ambient conditions. The systematic approach applied in this study should prove instrumental for the analysis of other 3-element multicomponent systems. To the best of our knowledge, the present study is the first to report DFT + U analysis to any 3-multicompnent systems with two of them requires inclusion of U treatment (i.e., f- and d- orbitals) in the electronic structure calculations.

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Publication Date
Tue Jun 30 2015
Journal Name
College Of Islamic Sciences
From the responses of Imam Abi Zakaria al-Nawawi 676 AH on the grammarians in his commentary on Sahel Muslim
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From the responses of Imam Abi Zakaria al-Nawawi 676 AH on the grammarians in his commentary on Sahel Muslim

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Publication Date
Fri Jun 24 2022
Journal Name
Iraqi Journal Of Science
Investigating the Adjuvanticity of K. pneumoniae Capsular Polysaccharide with Formalin-Killed S. aureus Against Live S. aureus Infection in Mice
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Klebsiella pneumoniae capsular polysaccharide (CPS) antigen was evaluated for their capability to increase immune responses. And, CPS neutralizing antibodies were approved as the main response to vaccination in many disease. Therefore, killed Stapthylococcus aureus bacteria was employed to evaluate K. pneumoniae CPS adjuvanticity. The mice groups were immunized (orally, intra-peritoneally and by swab skin)with a dose of (25μl of formalin killed S. aureus (1.5 x 108) with a CPS at dose 175μl/kg at a conc.50 μg/ml) vaccination occurred in first day then recurrent vaccination as booster dose beyond seven days. After first 7 days, the results revealed elevation of IL2,4,10,12 and IgG levels occurred mainly in oral and swab skin groups, an

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Publication Date
Wed Dec 01 2021
Journal Name
Baghdad Science Journal
Antimicrobial Effect of Eco- Friendly Silver Nanoparticles Synthesis by Iraqi Date Palm (Phoenix dactylifera) on Gram-Negative Biofilm-Forming Bacteria
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Date palm silver nanoparticles are a green synthesis method used as antibacterial agents. Today,
there is a considerable interest in it because it is safe, nontoxic, low costly and ecofriendly. Biofilm bacteria
existing in marketed local milk is at highly risk on population health and may be life-threatening as most
biofilm-forming bacteria are multidrug resistance. The goal of current study is to eradicate biofilm-forming
bacteria by alternative treatment green synthesis silver nanoparticles. The biofilm formation by bacterial
isolates was detected by Congo red method. The silver nanoparticles were prepared from date palm
(khestawy) fruit extract. The formed nanoparticles were characterized with UV-Vis

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Publication Date
Sun Mar 04 2018
Journal Name
Iraqi Journal Of Science
Measurement of the radioactivity in raw materials used in the ceramic industry in AL-Ramadi ceramic factory using (HPGe) detector
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In this research, we have measured specific activity concentrations in five samples for raw materials used in ceramic industry in AL-Ramadi ceramic factory by using (HPGe) detector. The results have shown that, the average specific activity, for 238U, 232Th and 40K are equal to (18.300±6.4 Bq/kg), (17.988±6.1 Bq/kg), (167.952±63.5 Bq/kg), respectively.  In order to assess the radiological hazards of the radioactivity in samples, radium equivalent activity, absorbed gamma dose rate, indoor and outdoor annual effective dose rates, gamma Index and both (external and internal) hazard effects have been calculated. All results were found to be less than the allowed global limit given by (UNSCEAR, 2000).

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Publication Date
Thu Feb 01 2024
Journal Name
Baghdad Science Journal
Mangrove Landscaping As An Adaptation Pattern To Reduce The Impact of Climate Change in Segara Anakan Lagoon, Cilacap Regency Indonesia
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Mangrove landscaping in the Segara Anakan Lagoon (SAL) is an adaptation pattern of mangrove ecosystems to live and grow in unstable areas. This research aimed to develop a mangrove landscape to mitigate the impacts of ocean waves, currents, and inundation due to climate change. The study was conducted in SAL and Cilacap Coast (CC) using the environmental properties and climate change data. The data obtained were analyzed using mapping and trendline analyses. The results showed that mangrove landscaping in Segara Anakan had four zones with Nypa frutican, Rhizophora styllosa, Aegiceras corniculatum, Rhizophora apiculata, Avicennia marina, Sonneratia alba identified as the best adaptation of mangrove species. Climate change give a high impa

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Publication Date
Wed Jun 26 2019
Journal Name
Iraqi Journal Of Science
Assessment the Modulation effect of using Green synthesis ZnO NPs against Multidrug Resistant Klebsiella pneumoniae isolated from respiratory tract infection
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Klebsiella pneumoniae is one of common hospital-acquired bacteria causing nosocomial pneumonia, urinary tract infections, and intra-abdominal infections. The aim of this study is investigating the Modulation effect of Zinc Oxide nanoparticles (ZnO NPs) against multidrug resistant K. pneumonia which was isolated from Respiratory Tract Infections (RTIs). The results of isolation and characterization of bacterial specimens showed that 20.81% of RTIs were Klebsiella pneumoniae. The strongest isolate showed resistant for most usable antibiotics selected. Simultaneously, ZnO NPs were produced by an aqueous extract of Green Tea leaves as a reducing and stabilizer agent. The Ultraviolet-Visible (UV-Vis) spectrum was indicated a successful produc

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Publication Date
Tue Jul 01 2014
Journal Name
Political Sciences Journal
Article International attitudes to change in the Arab countries in the positions of analytical Read (United States, European Union, Russia)
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المواقف افي الدول العربية قراءة تحليلية في مواقف لدولية من التغيير (الولايات المتحدة - الاتحاد الاوروبي - روسيا)

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Publication Date
Mon Oct 01 2012
Journal Name
Journal Of The Faculty Of Medicine Baghdad
Evaluating the utility of plasma Atherogenic Index among several atherogenic parameters in patients with chronic renal Failure on maintenance hemodialysis
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Background: Patients with chronic renal failure undergoing longterm hemodialysis (HD) are prone to atherosclerosis and at increased risk of developing cardiovascular diseases.
Objective: The objective of this study is to compare atherogenic index of plasma (AIP) in predicting the risk of cardiovascular disease (CVD) in patients with chronic renal failure (CRF) on regular hemodialysis, when associated with other chronic diseases.
Patients and methods: A total of forty male patients with CRF on hemodialysis, matched in, age, body mass index BMI, and duration of hemodialysis were enrolled. They were grouped as group 1 (G1) includes eleven subjects with CRF without (hypertension and / or diabetes) groups 2 (G2) fourteen CRF subjects wi

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Publication Date
Mon Jun 20 2022
Journal Name
Bulletin Of The Iraq Natural History Museum (p-issn: 1017-8678 , E-issn: 2311-9799)
DESCRIPTION OF THE PREDATOR BUSH CRICKET, SAGA EPHIPPIGERA FISCHER VON WALDHEIM, 1846 (ORTHOPTERA, TETTIGONIIDAE) FROM ERBIL PROVINCE, KURDISTAN REGION- IRAQ
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The predatory bush crickets Saga ephippigera Fischer Von Waldheim, 1846 is the largest Iraqi orthopterans and one of the most active and successful predators in the Kurdistan region. The nymphs and adults prey on all the stages of various species of insects. Twelve adult specimens were collected from Erbil Province during May 2018 and June 2021. Morphological structures of the adult insects were described and illustrated in details; important taxonomic characteristics of body regions with their appendages were chosen; and the results indicated the importance of morphological characteristics which confirmed the identification of this species correctly.

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Publication Date
Mon Jun 05 2023
Journal Name
Al-khwarizmi Engineering Journal
Removal of Malachite Green from Aqueous Solution using Ficus Benjamina Activated Carbon-Nonmetal Oxide synthesized by pyro Carbonic Acid Microwave
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Activated carbon derived from Ficus Binjamina agro-waste synthesized by pyro carbonic acid microwave method and treated with silicon oxide (SiO2) was used to enhance the adsorption capability of the malachite green (MG) dye. Three factors of concentration of dye, time of mixing, and the amount of activated carbon with four levels were used to investigate their effect on the MG removal efficiency. The results show that 0.4 g/L dosage, 80 mg/L dye concentration, and 40 min adsorption duration were found as an optimum conditions for 99.13% removal efficiency. The results also reveal that Freundlich isotherm and the pseudo-second-order kinetic models were the best models to describe the equilibrium adsorption data.

 

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