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An insight into geometries and catalytic applications of CeO2 from a DFT outlook
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Rare earth metal oxides (REMOs) have gained considerable attention in recent years owing to their distinctive properties and potential applications in electronic devices and catalysts. Particularly, cerium dioxide (CeO2), also known as ceria, has emerged as an interesting material in a wide variety of industrial, technological, and medical applications. Ceria can be synthesized with various morphologies, including rods, cubes, wires, tubes, and spheres. This comprehensive review offers valuable perceptions into the crystal structure, fundamental properties, and reaction mechanisms that govern the well-established surface-assisted reactions over ceria. The activity, selectivity, and stability of ceria, either as a stand-alone catalyst or as supports for other metals, are frequently ascribed to its strong interactions with the adsorbates and its facile redox cycle. Doping of ceria with transition metals is a common strategy to modify the characteristics and to fine-tune its reactive properties. DFT-derived chemical mechanisms are surveyed and presented in light of pertinent experimental findings. Finally, the effect of surface termination on catalysis by ceria is also highlighted.

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Publication Date
Mon Jan 01 2024
Journal Name
Aip Conference Proceedings
ZnO: MWCNT optical hybrid filter a promising nanomaterial for wastewater treatment and antimicrobial applications
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Publication Date
Mon Jun 30 2025
Journal Name
Indonesian Journal Of Biotechnology
Morphological and molecular identification of an unknown fungal isolate from Al‐Dujail District: A new record of Tulostoma winterhoffii in Iraq
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The Tulostoma genus, known as stalkballs or stalked puffballs, belongs to the Agaricaceae family. This study was designed to identify an unknown fungal species collected from the Al‐Dujail district in Iraq based on morphological examination and molecular analysis of the internal transcribed spacer (ITS) region. Between April and July 2019, samples were collected from garden soil in the Al‐Dujail district, Salah Al‐Din Governorate, Iraq. Morphological characteristics were documented using light microscopy. Genomic DNA was extracted and purified, and the ITS region was amplified using conventional PCR with specific primers. The amplified products were sequenced, and phylogenetic analysis was conducted using MEGA11 software. Morp

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Publication Date
Thu Jan 01 2026
Journal Name
Current Chemistry Letters
Using zooplankton as bioindicators for water quality assessment in the euphrates river: A case study from Babylon province, Iraq with advanced ecological applications
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Using zooplankton as bioindicators, this study evaluates the ecological condition of the Euphrates River in Iraq's Babylon Province. Site 1 (North Hillah, next to the old Babylon ruins), Site 2 (Hillah city center), Site 3 (South Hillah, close to Al-Mahaweel), and Site 4 (near Al-Kifl town) were the four monitoring locations chosen along the river. The highest and lowest averages of the measured physical and chemical factors indicate temperature (25.1°-29.4°), pH (7.2-7.9), electrical conductivity (EC) (940 µS/cm-1241µS/cm), total dissolved solids TDS (591 mg/L-789mg/L), dissolved oxygen (DO) (5.6 mg/ l-7.1 mg/L), biological oxygen demand (BOD5) (2.4mg/L-4.2 mg/L), nitrate (1.3 mg/L–3.2 mg/L), nitrite (0.04 mg/L–0.13 mg/L),

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Publication Date
Mon Dec 18 2017
Journal Name
Al-khwarizmi Engineering Journal
Conversion of Lignocellulosic Material Into Fermentable Sugars
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Enzymatic hydrolysis process of lignocellulosic biomass materials is difficult because of inherent structural features of biomass, which represents barriers that prevent complete hydrolysis; therefore, pretreatment techniques are necessary to render biomass highly digestible in enzymatic hydrolysis process. In this research, (non?) oxidative short-term lime pretreatment of willow wood was used. A weight of  11.40 g of willow wood was mixed with an excess of calcium hydroxide (0.4 g Ca(OH)2/g raw biomass) and water loading (15 g/g raw biomass). Lime pretreatment was carried out for various periods of time including 1, 2, 3.5, 5 and 6 h, with temperatures at 100, 113, 130, 147 and 1600C, and oxygen pressures as o

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Publication Date
Mon Jul 16 2018
Journal Name
Mathematics
Decomposition of Dynamical Signals into Jumps, Oscillatory Patterns, and Possible Outliers
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In this note, we present a component-wise algorithm combining several recent ideas from signal processing for simultaneous piecewise constants trend, seasonality, outliers, and noise decomposition of dynamical time series. Our approach is entirely based on convex optimisation, and our decomposition is guaranteed to be a global optimiser. We demonstrate the efficiency of the approach via simulations results and real data analysis.

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Publication Date
Mon Aug 01 2022
Journal Name
Baghdad Science Journal
Recycling of Chicken Egg Shells into Nanopowder: Synthesis, and its Properties
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Increase in unconventional resources of calcium (Ca+2) for fowls, aquaculture and native animals was improved. This work was planned to define the most polymorph of calcium carbonate (CaCO3) that take place in the two types of chicken eggshells (local and imported type). In this research, the comparative analysis of calcium carbonate (CaCO3) content was approved for nominated eggshells of native strain and imported chicken via Field Emission Scanning Electron Microscope (FESEM), Transmission Electron Microscope (TEM), Fourier-Transform Infrared Spectroscopy (FTIR) and Powder X-Ray Diffraction (PXRD) analysis. The results demonstrate that native and imported chicken eggshells comprise calcite morph that ha

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Publication Date
Wed Aug 01 2018
Journal Name
Journal Of Economics And Administrative Sciences
A Study on Transportation Models in Their Minimum and Maximum Values with Applications of Real Data
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The purpose of this paper is to apply different transportation models in their minimum and maximum values by finding starting basic feasible solution and finding the optimal solution. The requirements of transportation models were presented with one of their applications in the case of minimizing the objective function, which was conducted by the researcher as real data, which took place one month in 2015, in one of the poultry farms for the production of eggs

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Publication Date
Tue May 01 2018
Journal Name
Journal Of Physics: Conference Series
Feasibility Study of a Solar Flat Plate Collector for Domestic and Commercial Applications under Iraq Climate
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Publication Date
Sun Mar 30 2003
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Catalytic Pour Point Reduction and Viscosity Improvement of Lubricating Oil Fractions using Sulfided Nickel-Tungsten Catalysts
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Publication Date
Tue Oct 30 2018
Journal Name
Acs Omega
Catalytic Hydrogenation of p-Chloronitrobenzene to p-Chloroaniline Mediated by $γ$-Mo2N
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Promoting the production of industrially important aromatic chloroamines over transition-metal nitrides catalysts has emerged as a prominent theme in catalysis. This contribution provides an insight into the reduction mechanism of p-chloronitrobenzene (p-CNB) to p-chloroaniline (p-CAN) over the γ-Mo2N(111) surface by means of density functional theory calculations. The adsorption energies of various molecularly adsorbed modes of p-CNB were computed. Our findings display that, p-CNB prefers to be adsorbed over two distinct adsorption sites, namely, Mo-hollow face-centered cubic (fcc) and N-hollow hexagonal close-packed (hcp) sites with adsorption energies of −32.1 and −38.5 kcal/mol, respectively. We establish that the activation of nit

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