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Ab–Initio large unit cell calculations of the electronic structure of Si and Ge nanocrystals
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Ab – initio restricted Hartree - Fock method within the framework of large unit cell (LUC) formalism is used to investigate the electronic structure of Si and Ge nanocrystals. The surface and core properties are investigated. A large unit cell of 8 atoms is used in the present analysis. Cohesive energy, energy gap, conduction and valence band widths are obtained from the electronic structure calculations. The results are compared with available experimental data and theoretical results of other investigators. The calculated lattice constant is found to be slightly larger than the corresponding experimental value because we use only 8 atoms and we compared the results with that of the bulk crystals, nanoclusters are expected to have stronger directional bonds that in their bulk structure. The surface states are found to be mostly non-degenerated because of the effect of surface discontinuity and the existence of oxygen atoms. Valence and conduction bands are found to be wider on the surface due to the splitting of energy levels due to the existence of oxygen atoms. The present method can be used to investigate the electronic structure of bulk, surface and nanocrystals.

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Publication Date
Mon Apr 01 2019
Journal Name
Iraqi Journal Of Biotechnology
The Promising Anti-Tumor Impact of Newcastle Disease Virus Expressing IL-2 and P53 Genes in Many Cancer Cell Lines In vitro
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Abstract: Recombinant Newcastle disease virus (rNDV) has shown an anticancer effect in preclinical studies, but has never been tested in a lung cancer models. In this study we explored the anticancer activity of genetically modified NDV expressing IL-2-P53 (rClone30–IL-2-P53) in lung cancer model. We have cloned IL-2 and P53 genes and inserted them in the viral genome of New Castle Disease Virus to create a genetically modified rNDV- IL-2-P53 virus and tested the anti-tumor activity of the new virus in vitro on different types of cancer cell lines by MTT assay. TheIL-2 and P53 gene were successfully cloned and inserted into the viral genome by using a Mlu I and Sfi I endonucleases, viral vector was constructed correctly and successf

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Publication Date
Fri Sep 20 2019
Journal Name
Iop Conference Series: Materials Science And Engineering
Heterojunction Solar cell(NiPcTs/CdS)organic/inorgan
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In the present study, thin films of organic semiconductors Nickel PhthalocyanineTetrasulfonic Acid Tetrasodium Salt (NiPcTs) and inorganic semiconductor (CdS) prepared from the mixing of liquids for thesetwomaterials with different size ratios by the spin coating method on pre-patterned (Fluorine-doped Tin Oxide) FTO coated glass substrates and then the manufacture of solar cells. The properties of solar cells the study through the optical properties (absorption spectra, absorption coefficient, power gap) and electrical characteristics (continuous onductivity, Hall Effect and cell efficiency measurements) and Was obtainedThe efficiency of a multiple solar cell ranging from (0.16-13.2 %)

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Publication Date
Wed Oct 01 2014
Journal Name
International Journal Of Emerging Technology And Advanced Engineering
Natural Yellow3 for Dye Sensitized Solar Cell
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Abstract: The natural dye, Curcumin, was extracted from Curcuma longa using as a sensitizer in two types of dye sensitized solar cell (DSSC), and their characteristics were studied. The absorption spectrum of the dye solutions, as well as the wavelength of the maximum absorbance of the dye loaded TiO2 film has been studied. The X-Ray diffraction pattern of TiO2 film made with Doctor-Blading technique shown that the grain size of TiO2 was equal to be 40 nm. The electrical performances in terms of short circuit current, open circuit voltage and power conversion efficiency of cells were investigated.

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Publication Date
Sat Aug 31 2019
Journal Name
Iraqi Journal Of Physics
Nuclear Structure Investigation of Some Ni-Isotopes Using Skyrme-Hartree-Fock Method
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     The nuclear ground-state structure of some Nickel (58-66Ni) isotopes has been investigated within the framework of the mean field approach using the self-consist Hartree-Fock calculations (HF) including the effective interactions of Skyrme. The Skyrme parameterizations SKM, SKM*, SI, SIII, SKO, SKE, SLY4, SKxs15, SKxs20 and SKxs25 have been utilized with HF method to study the nuclear ground state charge, mass, neutron and proton densities with the corresponding root mean square radii, charge form factors, binding energies and neutron skin thickness. The deduced results led to specifying one set or more of Skyrme parameterizations that used to achieve the best agreement with the available experimental

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Publication Date
Wed Feb 04 2026
Journal Name
Proceedings Of The 2026 2nd International Conference On Computing And Emerging Sciences
Development of Design fuzzy logic hierarchy structure by Using Decision Tree Algorithm
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Sustainable development has recently gained significant attention in the field of water Quality (WQ), which is critical for a healthy lifestyle. Our work suggests an intelligent hybrid model for assessing water quality using a water portability dataset, which was used to evaluate the water quality. The dataset contains physical and chemical features such as pH, Organic Carbon, sulfate, etc. Based on the combination of a Decision Tree Algorithm (DTA) and fuzzy logic Approaches, the findings revealed that sulfate was the most important factor in the model, with an accuracy of 1.00, followed by pH with an accuracy of 0.9667, and solids and chloramines with an accuracy of 0.95. The other parameters achieved a similar accuracy of 0.9167, showing

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Publication Date
Sun Dec 03 2017
Journal Name
Baghdad Science Journal
Community Structure of Benthic Algae in a Lotic Ecosystem, Karbala Province-Iraq
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This study focused on benthic algae (epipelic and attached algae on concrete lining stream) in Bani-Hassan stream in Holly Karbala, Iraq. The qualitative and quantitative studies of benthic algae were done by collecting 240 samples from five sites in the study area for the period from December 2012 to November 2013. Also, the environmental variables of the stream were examined in term of temporary and spatial. The results showed that the stream was alkaline, hard, oligohaline and a well aerated. The total nitrogen to the total phosphorus (TN: TP) ratio indicates nitrogen limitation. 129 species of benthic algae belonging to 57 genera were identified. Bacillariophyceae (diatoms) was the predominant taxon (95 species) followed by Chlorophyce

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Publication Date
Fri Jun 30 2017
Journal Name
Acta Crystallographica Section E Crystallographic Communications
Crystal structure of (<i>E</i>)-4-benzylidene-6-phenyl-1,2,3,4,7,8,9,10-octahydrophenanthridine
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The preparation of the title compound, C26H25N, was achieved by the condensation of an ethanolic mixture of benzaldehyde, cyclohexanone and ammonium acetate in a 2:1:1 molar ratio. There are two crystallographically independent molecules in the asymmetric unit. The two cyclohexyl rings adopt ananti-envelope conformation with the benzyl moiety adopting acisconformation with respect to the nitrogen atom of the phenanthridine segment. In the crystal, molecules are linked through C—H...N interactions into hydrogen-bonded chains that are further arranged into distinct layers by weak offset π–π interactions.

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Publication Date
Thu Jun 25 2026
Journal Name
Biomedical &amp; Pharmacology Journal
Structure-Based in Silico Insights of Sitagliptin Analogs against Dipeptidyl Peptidase-4
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Dipeptidyl peptidase-4 DPP-4 inhibition has remained one of the most established ways in treating type 2 diabetes mellitus. Therefore, the development of improved DPP-4 inhibiters is consideredan essential strategy in the design of antidiabetic drugs. In the present study, a structure-based virtual approach was considered to design and evaluate new sitagliptin analogues with improved binding stability and pharmacokinetic properties. A virtual library consisting of 15,034 different compounds was created and then screened using a hierarchical Glide docking protocol (HTVS, SP, and XP). Using integrated computational analyses, the top ranked compounds were further assessed. Based on ADMET predictions, MM-GBSA binding free energy

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Publication Date
Tue Jun 15 2021
Journal Name
Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)
Genetic Structure, Transmission, Clinical Characteristics, Diagnosis, Treatment and Prevention of Coronavirus Disease 2019 (COVID-19): A Review
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The novel severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) caused a pandemic of coronavirus disease 2019 (COVID-19) which represents a global public health crisis. Based on recent published studies, this review discusses current evidence related to the transmission, clinical characteristics, diagnosis, management and prevention of COVID-19. It is hoped that this review article will provide a benefit for the public to well understand and deal with this new virus, and give a reference for future researches.

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Publication Date
Sun Jun 01 2014
Journal Name
Journal Of Economics And Administrative Sciences
Comparing Bayesian methods to estimate the failure probability for electronic systems in case the life time data are not available
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In this research, we find the Bayesian formulas and the estimation of Bayesian expectation for product system of Atlas Company.  The units of the system have been examined by helping the technical staff at the company and by providing a real data the company which manufacturer the system.  This real data include the failed units for each drawn sample, which represents the total number of the manufacturer units by the company system.  We calculate the range for each estimator by using the Maximum Likelihood estimator.  We obtain that the expectation-Bayesian estimation is better than the Bayesian estimator of the different partially samples which were drawn from the product system after  it checked by the

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