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DFT, anticancer, antioxidant and molecular docking investigations of some ternary Ni(II) complexes with 2‑[(E)‑[4‑(dimethylamino) phenyl]methyleneamino]phenol
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The biological activities of some ternary nickel complexes with a Schiff base obtained from 4-dimethylaminobenzaldehyde and 2-aminophenol have been reported. The Schiff base ( HL1) acts as a primary ligand whereas, anthranilic acid ( HL2), 2-nitroaniline ( HL3), alanine ( HL4) and histidine ( HL5) act as secondary ligand or co-ligand. The anticancer activity of these compounds was studied against human colon carcinoma (HCT-116), human hepatocellular liver carcinoma (HEPG-2) and human breast carcinoma (MCF-7) cell lines. As per the results, the compounds were active against the cell lines. The antioxidant activity of the same compounds was evaluated using DPPH (1,1-diphenyl-2-picryl-hydrazyl) radical scavenging and compared with ascorbic acid. The DFT computations for these compounds were made to understand the bonding mode by a GAUSSIAN 09 program. Moreover, a docking analysis using Autodock 4.2 software package was carried out against the tyrosine kinase receptor (PDB ID: 1M17). In addition, QSAR investigation was also performed to understand the biological potency of the ligand.

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Publication Date
Tue Sep 01 2020
Journal Name
Optical Fiber Technology
A novel modified fiber Bragg grating (FBG) based ammonia sensor coated with polyaniline/graphite nanofibers nanocomposites
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Publication Date
Fri Mar 29 2024
Journal Name
Iraqi Journal Of Science
Finding the Best Route for Connecting Citizens with Service Centers in Baghdad Based on NN Technology
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     A geographic information system (GIS) is a very effective management and analysis tool. Geographic locations rely on data. The use of artificial neural networks (ANNs) for the interpretation of natural resource data has been shown to be beneficial. Back-propagation neural networks are one of the most widespread and prevalent designs. The combination of geographic information systems with artificial neural networks provides a method for decreasing the cost of landscape change studies by shortening the time required to evaluate data. Numerous designs and kinds of ANNs have been created; the majority of them are PC-based service domains. Using the ArcGIS Network Analyst add-on, you can locate service regions around any network

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Publication Date
Fri Aug 31 2012
Journal Name
Al-khwarizmi Engineering Journal
Natural Convection Heat Transfer in an Inclined Open-Ended Square Cavity with Partially Active Side Wall
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This paper reports a numerical study of flow behaviors and natural convection heat transfer characteristics in an inclined open-ended square cavity filled with air. The cavity is formed by adiabatic top and bottom walls and partially heated vertical wall facing the opening. Governing equations in vorticity-stream function form are discretized via finite-difference method and are solved numerically by iterative successive under relaxation (SUR) technique. A computer program to solve mathematical model has been developed and written as a code for MATLAB software. Results in the form of streamlines, isotherms, and average Nusselt number, are obtained for a wide range of Rayleigh numbers 103-106 with Prandtl number 0.71

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Publication Date
Wed Dec 03 2025
Journal Name
Journal Of Taibah University For Science
Effective computational methods for solving the hyperbolic one-dimensional wave equation with nonlocal mixed boundary conditions
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This paper considers approximate solution of the hyperbolic one-dimensional wave equation with nonlocal mixed boundary conditions by improved methods based on the assumption that the solution is a double power series based on orthogonal polynomials, such as Bernstein, Legendre, and Chebyshev. The solution is ultimately compared with the original method that is based on standard polynomials by calculating the absolute error to verify the validity and accuracy of the performance.

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Publication Date
Sat Jun 01 2019
Journal Name
2019 International Symposium On Networks, Computers And Communications (isncc)
An Interference Mitigation Scheme for Millimetre Wave Heterogeneous Cloud Radio Access Network with Dynamic RRH Clustering
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Publication Date
Thu Mar 05 2026
Journal Name
Journal Of Baghdad College Of Dentistry
A Salivary Calcium Binding Protein in Patients with Oral Squamous Cell Carcinoma in Relation to Smoking
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Background: The present study aimed to assess the distribution, prevalence, severity of malocclusion in Baghdad governorate in relation to gender and residency Materials and Methods: A multi-stage stratified sampling technique was used in this investigation to make the sample a representative of target population. The sample consisted of 2700 (1349 males and 1351 females) intermediate school students aged 13 years representing 3% of the total target population. A questionnaire was used to determine the perception of occlusion and orthodontic treatment demand of the students and the assessment procedures for occlusal features by direct intraoral measurement using veriner and an instrument to measure the rotated and displaced teeth. Results a

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Publication Date
Sun Apr 13 2025
Journal Name
Scientific Reports
Optimized image segmentation using an improved reptile search algorithm with Gbest operator for multi-level thresholding
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Abstract<p>Image segmentation using bi-level thresholds works well for straightforward scenarios; however, dealing with complex images that contain multiple objects or colors presents considerable computational difficulties. Multi-level thresholding is crucial for these situations, but it also introduces a challenging optimization problem. This paper presents an improved Reptile Search Algorithm (RSA) that includes a Gbest operator to enhance its performance. The proposed method determines optimal threshold values for both grayscale and color images, utilizing entropy-based objective functions derived from the Otsu and Kapur techniques. Experiments were carried out on 16 benchmark images, which inclu</p> ... Show More
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Publication Date
Thu May 01 2025
Journal Name
Process Safety And Environmental Protection
Natural deep eutectic solvent integrated with bulk liquid membrane system for salicylic acid removal from wastewater
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Publication Date
Fri Aug 30 2024
Journal Name
Iraqi Journal Of Science
The Dissipation of the Kinetic Energy for 2D Bounded Flow by Using Moment-Based Boundary Conditions with Burnett Order Stress for LBM
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     In this article, the lattice Boltzmann method with two relaxation time  (TRT)  for the  D2Q9 model is used to investigate numerical results for 2D flow. The problem is performed to show the dissipation of the kinetic energy rate and its relationship with the enstrophy growth for 2D dipole wall collision. The investigation is carried out for normal collision and oblique incidents at an angle of . We prove the accuracy of moment -based boundary conditions with slip and Navier-Maxwell slip conditions to simulate this flow. These conditions are under the effect of Burnett-order stress conditions that are consistent with the discrete Boltzmann equation. Stable results are found by using this kind of boundary condition where d

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Publication Date
Tue May 07 2024
Journal Name
Heliyon
Micro-shear bond strength of a novel resin-modified glass ionomer luting cement (eRMGIC) functionalized with organophosphorus monomer to different dental substrates
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Objectives: This study aims to assess and compare the micro-shear bond strength (μSBS) of a novel resin-modified glass-ionomer luting cement functionalized with a methacrylate co-monomer containing a phosphoric acid group, 30 wt% 2-(methacryloxy) ethyl phosphate (2-MEP), with different substrates (dentin, enamel, zirconia, and base metal alloy). This assessment is conducted in comparison with conventional resin-modified glass ionomer cement and self-adhesive resin cement. Materials and methods: In this in vitro study, ninety-six specimens were prepared and categorized into four groups: enamel (A), dentin (B), zirconia (C), and base metal alloys (D). Enamel (E) and dentin (D) specimens were obtained from 30 human maxillary first premolars e

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