Preferred Language
Articles
/
EBZ7oooBVTCNdQwC5qJW
Tubular Magnetic Shielding Scan (TMSS): A New Technique for Molecular Space Exploration. (i) The Case of Aromaticity of Benzene and [<i>n</i>]Paracyclophanes
...Show More Authors

Both traditional and novel techniques were employed in this work for magnetic shielding evaluation to shed new light on the magnetic and aromaticity properties of benzene and 12 [n]paracyclophanes with n = 3–14. Density functional theory (DFT) with the B3LYP functional and all-electron Jorge-ATZP and x2c-TZVPPall-s basis sets was utilized for geometry optimization and magnetic shielding calculations, respectively. Additionally, the 6-311+G(d,p) basis set was incorporated for the purpose of comparing the magnetic shielding results. In addition to traditional evaluations such as NICS/NICSzz-Scan, and 2D-3D σiso(r)/σzz(r) maps, two new techniques were implemented: bendable grids (BGs) and cylindrical grids (CGs) of ghost atoms (Bqs). BGs allow for the recording of magnetic shielding from the bent ring levels of [n]pCPs, while CGs provide tubular magnetic shielding scan (TMSS) maps detailing the magnetic shielding from a cylindrical region above and below the ring frame. Our findings suggest that smaller [n]pCPs with n < 6 exhibit deviations in the magnetic shielding above and below the ring, indicating a broken electron delocalization under the ring. In contrast, larger [n]pCPs tend to behave similarly to benzene in terms of magnetic shielding. Moreover, we found that shorter polymethylene chains of [n]pCPs exhibit significantly higher magnetic shielding interactions with the ring. Both of the above techniques offer new and promising tools for characterizing nonplanar aromatic compounds, thereby contributing to a deeper understanding of their magnetic and electronic properties.

Scopus Clarivate Crossref
View Publication
Publication Date
Thu Feb 01 2024
Journal Name
Russian Journal Of Bioorganic Chemistry
Synthesis, Identification, Antioxidant, Molecular Docking, and In Silico ADME Study for Some New Derivatives Containing Thiourea Moiety
...Show More Authors

Objective: Synthesized a series of new thiourea (TU) derivatives, tested their antioxidant activity, and investigated their expected biological activity by theoretical study (computational methods). Methods: The derivatives were made using a one-pot reaction with two steps. Initially, succinyl chloride was mixed with KSCN to make succinyl isothiocyanate. Then, primary and secondary amines were used to make TU derivatives. The theoretical studies were done by Swiss ADME and molecular docking via Genetic Optimization of Linkage Docking (GOLD). Then evaluate antioxidant activity using the DPPH scavenging method. Results: FT-IR, 1H NMR, and 13C NMR spectroscopy show the verification of all the prepared derivatives. Compounds (II), (VIII),

... Show More
View Publication
Scopus (7)
Crossref (7)
Scopus Clarivate Crossref
Publication Date
Tue Dec 30 2025
Journal Name
Acta Scientiarum Polonorum Administratio Locorum
The function of Feng Shui’s five elements in encouraging urban public space for social interaction. Case study: Al-Arabi and Al-Washash neighborhoods in the Al-Mansour district, Baghdad
...Show More Authors

Motives: This study examines the integration of Feng Shui principles into urban public spaces to enhance social interaction, livability, and environmental harmony. The case study focuses on the Al-Arabi and Al-Washash neighbourhoods in Baghdad, exploring how spatial characteristics influence engagement and energy circulation (Qi) within the urban network. The motivation arises from deficiencies in connectivity, shading, greenery, and water features, which limit social and aesthetic vibrancy. Aim: The objectives are to evaluate spatial and social dynamics through the Feng Shui Public-Space Index (FS-PSI), Space Syntax analysis, and resident surveys, and to propose strategies using Feng Shui design proxies to improve energy flow, acce

... Show More
View Publication
Scopus Crossref
Publication Date
Thu Sep 28 2023
Journal Name
Iraqi Journal Of Computer, Communication, Control And System Engineering
A Comparative Study Between the Fragile and Robust Watermarking Techniques and Proposing New Fragile Watermarking with Embedded Value Technique
...Show More Authors

Since the Internet has been more widely used and more people have access to multimedia content, copyright hacking, and piracy have risen. By the use of watermarking techniques, security, asset protection, and authentication have all been made possible. In this paper, a comparison between fragile and robust watermarking techniques has been presented to benefit them in recent studies to increase the level of security of critical media. A new technique has been suggested when adding an embedded value (129) to each pixel of the cover image and representing it as a key to thwart the attacker, increase security, rise imperceptibility, and make the system faster in detecting the tamper from unauthorized users. Using the two watermarking ty

... Show More
View Publication
Scopus (2)
Crossref (1)
Scopus Crossref
Publication Date
Mon Sep 01 2003
Journal Name
Ieee Transactions On Energy Conversion
Helical motion tubular induction motor
...Show More Authors

Scopus (23)
Crossref (19)
Scopus Clarivate Crossref
Publication Date
Wed Mar 10 2021
Journal Name
Baghdad Science Journal
Fuzzy Subspaces For Fuzzy space of Orderings
...Show More Authors

The purpose of this paper is to define fuzzy subspaces for fuzzy space of orderings and we prove some results about this definition in which it leads to a lot of new results on fuzzy space of orderings. Also we define the sum and product over such spaces such that: If f = < a1,…,an > and g = < b1,…bm>, their sum and product are f + g = < a1…,an, b1, …, bm> and f × g =. for all a1,…,an,b1,…,bm ? G

View Publication Preview PDF
Crossref
Publication Date
Fri Sep 06 2024
Journal Name
Journal Of Optics
Synthesis of N-A cysteine-capped CdTe QDs for optical biosensing
...Show More Authors

In this investigation, water-soluble N-Acetyl Cysteine Capped-Cadmium Telluride QDs (NAC/CdTe nanocrystals), utilizing N-acetyl cysteine as a stabilizer, were prepared to assess their potential in differentiating between DNA extracted from pathogenic bacteria (e.g. Escherichia coli isolated from urine specimen) and intact DNA (extracted from blood of healthy individuals) for biomedical sensing prospective. Following the optical characterization of the synthesized QDs, the XRD analysis illustrated the construction of NAC-CdTe-QDs with a grain size of 7.1 nm. The prepared NAC-CdTe-QDs exhibited higher PL emission features at of 550 nm and UV-Vis absorption peak at 300 nm. Additionally, the energy gap quantified via PL and UV–Vis were 2.2 eV

... Show More
View Publication
Scopus Clarivate Crossref
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
...Show More Authors

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

... Show More
View Publication Preview PDF
Scopus Crossref
Publication Date
Sat Apr 01 2017
Journal Name
Iosr Journal Of Computer Engineering (iosr-jce)
A New Approach to DNA, RNA, and Protein Motifs Templates Visualization and Analysis via Compilation Technique
...Show More Authors

Motifs template is the input for many bioinformatics systems such codons finding, transcription, transaction, sequential pattern miner, and bioinformatics databases analysis. The size of motifs arranged from one base up to several Mega bases, therefore, the typing errors increase according to the size of motifs. In addition, when the structures motifs are submitted to bioinformatics systems, the specifications of motifs components are required, i.e. the simple motifs, gaps, and the lower bound and upper bound of each gap. The motifs can be of DNA, RNA, or Protein. In this research, a motif parser and visualization module is designed depending on a proposed a context free grammar, CFG, and colors human recognition system. GFC describes the m

... Show More
Preview PDF
Publication Date
Sat Dec 31 2022
Journal Name
Theory And Practice In Language Studies
Prosodic Cues of Narrative Segmentation in Robert Frost’s ‘Mending Wall’: A Phono-Pragmatic Exploration
...Show More Authors

There is much research on the syntax-semantics and the syntax-phonology interaction. However, the exact relation between prosodic patterns and informational structure (as part of pragmatics) is still to be investigated. In this empirical study, we challenge the view that prosody and pragmatics are two autonomous levels of grammar. This paper is an analysis of the narrative poem ‘Mending Wall’ recited by Robert Frost to explore the prosodic features and the associated pragmatic meanings. It is proposed that a set of intentionally manipulated suprasegmental features form a prosodic grammar that works in line with syntax and lexical choices to build the narrative discourse and achieve pragmatic meanings. The paper shows that the am

... Show More
View Publication
Scopus Crossref
Publication Date
Sat Jan 01 2022
Journal Name
Aip Conference Proceedings
Evaluation of FEMM software for magnetic analysis of the magnetorheological application
...Show More Authors

View Publication
Scopus (1)
Crossref (2)
Scopus Crossref