Preferred Language
Articles
/
EhaAoooBVTCNdQwCqqI0
Predicting a New Δ‐Proton Sponge‐Base of 4,12‐Dihydrogen‐4,8,12‐triazatriangulene through Proton Affinity, Aromatic Stabilization Energy, and Aromatic Magnetism
...Show More Authors
Abstract<p>Herein, we report designing a new Δ (delta‐shaped) proton sponge base of 4,12‐dihydrogen‐4,8,12‐triazatriangulene (compound <bold>1</bold>) and calculating its proton affinity (<italic>PA</italic>), aromatic stabilization, natural bond orbital (NBO), electron density <italic>ρ</italic>(r), Laplacian of electron density ∇<sup>2</sup><italic>ρ</italic>(r), (2D‐3D) multidimensional <italic>off</italic>‐nucleus magnetic shielding (<italic>σ</italic><sub>zz</sub>(r) and <italic>σ</italic><sub>iso</sub>(r)), and scanning nucleus‐independent chemical shift (NICS<sub>zz</sub> and NICS). Density functional theory (DFT) at B3LYP/6‐311+G(d,p), ωB97XD/6‐311+G(d,p), and PW91/def2TZVP were used to compute the magnetic shielding variables. In addition, relevant bases like pyridine, quinoline, and acridine were also studied and compared. The protonation of compound <bold>1</bold> yields a highly symmetric carbocation of three Hückel benzenic rings. Comparing our findings of the studied molecules showed that compound <bold>1</bold> precedes others in <italic>PA</italic>, aromatic isomerization stabilization energy, and basicity. Therefore, the basicity may be enhanced when a conjugate acid gains higher aromatic features than its unprotonated base. Both multidimensional <italic>σ</italic><sub>zz</sub>(r) and <italic>σ</italic><sub>iso</sub>(r) <italic>off</italic>‐nucleus magnetic shieldings outperformed electron‐based techniques and can visually monitor changes in aromaticity that occur by protonation. The B3LYP/6‐311+G(d,p), ωB97XD/6‐311+G(d,p), and PW91/def2TZVP levels showed no significant differences in detailing isochemical shielding surfaces.</p>
Scopus Clarivate Crossref
View Publication
Publication Date
Wed Jan 01 2020
Journal Name
Research Journal Of Pharmacy And Technology
Structural, Spectral and Thermal studies of new bidentate Schiff base ligand type (NO) derived from Mebendazol and 4-Aminoantipyrine and it's metal complexes and evaluation of their biological activity
...Show More Authors

View Publication
Scopus (19)
Crossref (7)
Scopus Crossref
Publication Date
Thu Jul 02 2026
Journal Name
Journal Of Engineering
A Hybrid Artificial Intelligence Model for Predicting Quality of Service (QoS) in 5G Networks Based on Wireless Channel Parameters
...Show More Authors

This paper proposes a hybrid artificial intelligence (AI) model that combines an Artificial Neural Network (ANN) and Particle Swarm Optimization (PSO) to predict the Quality of Service (QoS) in 5G networks. The model utilizes radio channel indicators such as Reference Signal Received Power (RSRP), Reference Signal Received Quality (RSRQ), Received Signal Strength Indicator (RSSI), and Channel Quality Indicator (CQI) to forecast throughput and latency levels. These indicators are critical factors affecting network performance; however, the nonlinear relationship among them makes traditional analytical models inadequate for accurate QoS prediction. The importance of the current study lies in estimating QoS in 5G networks by combining

... Show More
View Publication
Crossref
Publication Date
Thu Oct 01 2009
Journal Name
Iraqi Journal Of Physics
Effect of isovalent substitution and Quenching on the Transition Temperature of (Bi1-xPbx)2(Sr1-yBay)2Ca2Cu3O10+δ
...Show More Authors

A high Tc superconductor with a nominal composition
(Bi1-xPbx)2(Sr1-yBay)2Ca2Cu3O10+δ for (0 £ x £ 0.5) and (0 £ y £ 0.5) was prepared by
a solid state reaction method. The effect of the substitution of Pb for Bi and Ba for Sr and
quenching temperature on the superconductivity has been investigated to obtain the
optimum conditions for the formation and stabilization of the high Tc phase (2223).
The results showed that the optimum sintering temperature for the pure composition is
equal to 875°C and the sintering time is equal to 240h with heating and cooling rate of
60°C/h . Our results indicated that a small amount of (Ba = 0.1) could raise the transition
temperature (Tc), but enhancing Ba to 0.4 has raised

... Show More
View Publication Preview PDF
Publication Date
Mon Sep 10 2018
Journal Name
Iraqi Journal Of Physics
Improvement of superconducting parameters of Bi1.6Pb0.4Sr 2Ca 2Cu 3O10+ δ added with Au nanoparticles
...Show More Authors

Samples of Bi1.6Pb0.4Sr2Ca2Cu3O10+δ superconductor were prepared by solid-state reaction method to study the effects of gold nanoparticles addition to the superconducting system, Nano-Au was introduced by small weight percentages (0.25, 0.50, 0.75, 1.0, and 1.25 weight %). Phase identification and microstructural
characterization of the samples were investigated using XRD and SEM. Moreover, DC electrical resistivity as a function of the temperature, critical current density Jc, AC magnetic susceptibility, and DC magnetization measurements were carried to evaluate the relative performance of samples. x-ray diffraction analysis showed that both (Bi,Pb)-2223 and Bi-2212 phases coexist in the samples having an orthorhombic crystal struct

... Show More
View Publication Preview PDF
Crossref (2)
Crossref
Publication Date
Mon Jun 24 2019
Journal Name
University Of Thi-qar Journal
Assessment of the Performance of Stone Columns through the Seismic Wave Test: A Review
...Show More Authors

The geophysical testing is increasingly being employed in many geotechnical applications. It is preferred in monitoring the mechanical characteristics of the ground because of its economy, not time consuming and non-destructive nature. Seismic wave test is one of the geophysical methods which showed a potential in observing the general behaviour of the reinforced soil with stone columns. Findings in most cases showed that the seismic wave measurements was integrated with or compared to the conventional tests such as standard penetration test or cone penetration test. There was a noticeable success in identifying the enhancement achieved to the ground upon the strengthening with the column, specifically when the associated surveys can produc

... Show More
View Publication Preview PDF
Publication Date
Tue Apr 01 2025
Journal Name
Journal Of Engineering
Comparative Analysis of The Combined Model (Spatial and Temporal) and Regression Models for Predicting Murder Crime
...Show More Authors

This research dealt with the analysis of murder crime data in Iraq in its temporal and spatial dimensions, then it focused on building a new model with an algorithm that combines the characteristics associated with time and spatial series so that this model can predict more accurately than other models by comparing them with this model, which we called the Combined Regression model (CR), which consists of merging two models, the time series regression model with the spatial regression model, and making them one model that can analyze data in its temporal and spatial dimensions. Several models were used for comparison with the integrated model, namely Multiple Linear Regression (MLR), Decision Tree Regression (DTR), Random Forest Reg

... Show More
View Publication Preview PDF
Crossref (1)
Scopus Crossref
Publication Date
Fri Dec 01 2023
Journal Name
Bulletin Of Electrical Engineering And Informatics
A comparative study of Gaussian mixture algorithm and K-means algorithm for efficient energy clustering in MWSN
...Show More Authors

Wireless sensor networks (WSNs) represent one of the key technologies in internet of things (IoTs) networks. Since WSNs have finite energy sources, there is ongoing research work to develop new strategies for minimizing power consumption or enhancing traditional techniques. In this paper, a novel Gaussian mixture models (GMMs) algorithm is proposed for mobile wireless sensor networks (MWSNs) for energy saving. Performance evaluation of the clustering process with the GMM algorithm shows a remarkable energy saving in the network of up to 92%. In addition, a comparison with another clustering strategy that uses the K-means algorithm has been made, and the developed method has outperformed K-means with superior performance, saving ener

... Show More
View Publication
Scopus (5)
Crossref (4)
Scopus Crossref
Publication Date
Sun Jan 01 2017
Journal Name
Proceeding Of Second Thermal And Fluids Engineering Conference
Solidification Enhancement in Triplex-Tube Latent Thermal Energy Storage System Using a Combination of Nanoparticles and Fins
...Show More Authors

View Publication
Crossref (3)
Crossref
Publication Date
Thu Jun 02 2016
Journal Name
Ashrae Transactions
Melting of PCM with nanoparticles in a triplex-tube thermal energy storage system
...Show More Authors

Scopus (30)
Scopus
Publication Date
Thu Sep 01 2016
Journal Name
Applied Thermal Engineering
Solidification of a PCM with nanoparticles in triplex-tube thermal energy storage system
...Show More Authors

Crossref (176)
Crossref