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
Mon Mar 08 2021
Journal Name
Baghdad Science Journal
Microbiological studies of a new naphthoquinone semicarbazone derivatives
...Show More Authors

The antimicrobial activity of two naphthoquinone semicarbazone derivatives (Two newly synthesized compounds) have been studied by using tube — diluation and disc plate technique. The effect of those derivatives upon pathogenic microorganism iso-lated from specimen(urine iwounds,stool, swabs, throat ....etc) have been studied also in comparison with the antibiotics (amikacin,ampicillin, carbencillin, cephalothin, cefoxitin,clindamycin ,erythromycin,gentamycin,penicillin,tetracylin and tri-methoprim. It was shown that derivative(1) had more effective against micro organ-ism than derivative(11).

View Publication Preview PDF
Publication Date
Wed Jan 01 2025
Journal Name
Journal Of Interdisciplinary Mathematics
A fixed points of new weakly contractive maps
...Show More Authors

We provide a new concept of weakly contractive maps on JC , and it was studied two lemma verify those theorems. Also, tend to focus on proving some fixed point outcomes for functions satisfying certain contractive in JC- metric space in a manner distinct from the known results in the literature.

View Publication
Scopus Crossref
Publication Date
Thu Jan 31 2019
Journal Name
International Journal Of Ambient Energy
Energy generation by membraneless microfluidic fuel cell using acidic wastewater as a fuel
...Show More Authors

A simple and novel membraneless paper-based microfluidic fuel cell was presented in this study. The occurrence of laminar flow was employed to ensure no mixing of the fuel and oxidant fluids along the bath of reaction. The acidic wastewater was used as a fuel. It was an air-breathing cell, so air and tab water were used as oxidants. Both the fuel and tab water flowed continuously under gravity. Whatman filter paper was used for preparation of the fuel cell channel and two carbon fibre electrodes were used and firmed on the edges of the cell. The performance of the cell was examined over three consecutive days. The results indicated that the present cell has the potential to generate electric power, but an extensive study is required to harv

... Show More
View Publication Preview PDF
Scopus (4)
Crossref (3)
Scopus Clarivate Crossref
Publication Date
Mon Jul 01 2019
Journal Name
International Journal Of Heat And Mass Transfer
Hybrid heat transfer enhancement for latent-heat thermal energy storage systems: A review
...Show More Authors

View Publication
Scopus (320)
Crossref (336)
Scopus Clarivate Crossref
Publication Date
Thu Dec 01 2011
Journal Name
Journal Of Economics And Administrative Sciences
Renewable energy sources - present realities and future options
...Show More Authors

Renewable energy sources - realities of the present and future options

    Many of the directories indicate that the global energy system begin with a period of transition from total dependence on fossil energy sources, particularly oil, Into a new era in which renewable energy sources play an important role in meeting the growing needs of energy demand. There are many factors that will contribute to the strengthening of this trend towards transformation, which also will decide how quickly this transformation of renewable energy systems effectively in the global system of energy demand.

   These factors, In brief: the size of environmental pollution and cl

... Show More
View Publication Preview PDF
Crossref
Publication Date
Thu Jun 15 2017
Journal Name
International Journal Of Computer Applications
Assessment of Annual Wind Energy Potential at Three Sites in Iraq for Wind Energy Applications
...Show More Authors

Assessment of annual wind energy potential for three selected sites in Iraq has been analyzed in the present work. The wind velocities data from August 2014 to July 2015 were collected from the website of Weather Underground Organization (WUO) at stations elevation (35m, 32m, and 17m) for Baghdad, Najaf, and Kut Al-Hai respectively. Extrapolation of stations elevation and wind velocities was used to estimate wind velocities at (60m, 90m, and 120m). The objectives are to analyze the wind speed data and assess the wind energy potential for wind energy applications. Computer code for MATLAB software has been developed to solve the mathematical model. The results are presented as a monthly and annual average for wind velocities, standard deviat

... Show More
View Publication
Crossref (1)
Crossref
Publication Date
Sat Jul 22 2023
Journal Name
Journal Of Engineering
Use of Gis for Creating a Project Management Data Base in Baghdad Al-Rissfa
...Show More Authors

The main objective of resources management is to supply and support the site operation with necessary resources in a way to achieve the required timing in handing over the work as well as to achieve the cost-realism within the budget estimated. The research aims to know the advantage of using GIS in management of resources as one of the new tools that keep pace with the evolution in various countries around the world also collect the vast amount of spatial data resources in one environment easily to handled and accessed quickly and this help to make the right decision regarding management of resources in various construction projects. The process of using GIS in the management and identification of resources is of extreme importance in t

... Show More
View Publication Preview PDF
Crossref
Publication Date
Thu Dec 01 2022
Journal Name
Journal Of Molecular Structure
A new thiazoldinone and triazole derivatives: Synthesis, characterization and liquid crystalline properties
...Show More Authors

View Publication
Scopus (17)
Crossref (12)
Scopus Clarivate Crossref
Publication Date
Tue Jun 01 2021
Journal Name
Bulletin Of Electrical Engineering And Informatics
A new pseudorandom bits generator based on a 2D-chaotic system and diffusion property
...Show More Authors

A remarkable correlation between chaotic systems and cryptography has been established with sensitivity to initial states, unpredictability, and complex behaviors. In one development, stages of a chaotic stream cipher are applied to a discrete chaotic dynamic system for the generation of pseudorandom bits. Some of these generators are based on 1D chaotic map and others on 2D ones. In the current study, a pseudorandom bit generator (PRBG) based on a new 2D chaotic logistic map is proposed that runs side-by-side and commences from random independent initial states. The structure of the proposed model consists of the three components of a mouse input device, the proposed 2D chaotic system, and an initial permutation (IP) table. Statist

... Show More
View Publication
Scopus (17)
Crossref (8)
Scopus Crossref
Publication Date
Tue Jan 15 2002
Journal Name
Abhath Al- Yarmouk [basic Sciences And Engineering]
Computer Program for Predicting Ultimate Strength of Structural Concrete Sections of General Shape
...Show More Authors