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Bonding, Aromaticity and Isomerization of Furfuraldehyde through <i>Off</i> ‐Nucleus Isotropic Magnetic Shielding
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Off-nucleus isotropic magnetic shielding (σiso(r)) and multi-points nucleus independent chemical shift (NICS(0-2 Å)) index were utilized to find the impacts of the isomerization of gas-phase furfuraldehyde (FD) on bonding and aromaticity of FD. Multidimensional (1D to 3D) grids of ghost atoms (bqs) were used as local magnetic probes to evaluate σiso(r) through gauge-including atomic orbitals (GIAO) at density functional theory (DFT) and B3LYP functional/6-311+G(d,p) basis set level of theory. 1D σiso(r) responses along each bond of FD were examined. Also, a σiso(r) 2D-scan was performed to obtain σiso(r) behavior at vertical heights of 0–1 Å above the FD plane in its cis, transition state (TS) and trans forms. New techniques for evaluating 2D σiso(r) cross-sections are also included. Our findings showed that bonds in cyclic and acyclic parts of FD are dissimilar. Unlike the C−O bond of furanyl, the C=O bond of the formyl group is magnetically different. C−C and C−H bonds in furanyl are found similar to those in aromatic rings. A unique σiso(r) trend was observed for the C2−C6 bond during FD isomerization. Based on NICS(0-2 Å) values, the degree of aromaticity follows the order of cis FD

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Publication Date
Wed Dec 01 2010
Journal Name
Iraqi Journal Of Physics
Particle-Hole State Density Calculations with Non-Equidistant Spacing Model: I. Basic Derivation
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The basic analytical formula for particle-hole state densities is derived based on the non-Equidistant Spacing Model (non-ESM) for the single-particle level density (s.p.l.d.) dependence on particle excitation energy u. Two methods are illustrated in this work, the first depends on Taylor series expansion of the s.p.l.d. about u, while the second uses direct analytical derivation of the state density formula. This treatment is applied for a system composing from one kind of fermions and for uncorrected physical system. The important corrections due to Pauli blocking was added to the present formula. Analytical comparisons with the standard formulae for ESM are made and it is shown that the solution reduces to earlier formulae providing m

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Publication Date
Sun Sep 02 2012
Journal Name
Baghdad Science Journal
Studying HLA class I polymorphism in brain tumour patients
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The present study aimed at shed light on the association between HLA-class I antigens (A, B and Cw) and brain tumours (meningioma and glioma) in the basis of their individual frequencies or two-locus association A total of 52 brain tumour patients were enrolled in this study, with an age range of 7-68 years. The patients were divided into two clinical groups; meningioma (20 cases) and glioma (22 cases), while the remaining 10 cases represented other types of brain tumour. Control samples included 47 Iraqi Arab apparently healthy blood volunteers, with an age range of 15-50 year. Three HLA antigens showed a significant increased frequency in total patients as compared to controls. They were B13 (34.6 vs. 6.5%), B40 (15.4 vs. 2.2%) and Cw3

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Publication Date
Thu Jan 01 2026
Journal Name
Open Veterinary Journal
&lt;b&gt;Anticancer and immune effect of the extracted brown &lt;i&gt;Raoultella planticola&lt;/i&gt; pigment on murine mammary adenocarcinoma (AMN3)&lt;/b&gt;
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Background: Raoultella planticola is a developing pathogen that can infect both humans and animals. Raoultella spp. commonly colonize the gastrointestinal and upper respiratory systems. It usually causes pneumonia, bile tract infections, and bacteremia. Aim: In this study, the anticancer activity of an isolated brown pigment of a Raoultella planticola isolate was tested in vitro. Methods: The laboratory examination included culturing in brain-heart infusion broth, conducting biochemical tests, using the automatic VITEK2 Compact for bacterial isolate identification, performing the MTT assay to evaluate the cytotoxic effect on both the mammary cancer cell line (AMN3) and normal rat fibroblast (REF), and utilizing enzyme-linked i

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Publication Date
Thu Mar 30 2023
Journal Name
College Of Islamic Sciences
Human Dignity and the Problem of Women Cutting Off Prayer: Women Cutting Off Prayer
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Our creator has honored human beings and granted them a noble place, the provisions of the Islamic system are designed to strengthen and consolidate this dignity and respect. Since women are human beings, they have their respect, status and dignity. There are some prophetic sayings concerning women that may be understood as contrary to this value, the value of dignity and respect for human beings. One example is the Hadith of a woman cutting off a man’s prayer if she passed in front of his prayer. The study examines this topic and presents answers for it.

 

In dealing with the subject, the study followed the descriptive, analytical and deductive approach of mentioning legislative texts, analyzing them and deducing

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Publication Date
Wed Jan 01 2025
Journal Name
Rsc Advances
Development of a multi-source blue light irradiation platform for photometric quantification of ascorbic acid <i>via</i> continuous absorbance quenching of the ferric–thiocyanate complex
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Diagram of CFIA system: (A) Fe 3+ line; (B) SCN − line; (C) A.A carrier; (D) sample valve; (E) mixing/reaction coil quenched by A.A; (F) blue LED detector.

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Publication Date
Tue Sep 29 2026
Journal Name
Medinformatics
Transcriptomic Reanalysis Reveals Complement, Circadian, and Toll-Like Receptor Signaling Remodeling in &lt;i&gt;Lactiplantibacillus plantarum&lt;/i&gt;-Induced Innate Immune Memory in Human Monocytes
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The commensal bacterium Lactiplantibacillus plantarum is recognized for its ability to cause a state of innate immune memory in monocytes, characterized by the tolerogenic phenotype and lowered pro-inflammatory responses. This study provides an extensive re-examination of the transcriptomic dataset originating from human CD14 + monocytes primed with live or heat-killed L. plantarum (GSE159496). Using a computational approach, 1,954 differentially expressed gene calls that corresponded to 1,397 unique genes were obtained through three pairwise comparisons. In addition, several novel biological pathways that were not investigated in the original study were discovered. Priming with live L. plantarum resulted in a marked downregula

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Publication Date
Tue Jan 01 2019
Journal Name
Indian Journal Of Public Health Research &amp; Development
Isolation of Some Pathogenic Bacteria and Fungi From Student Mobile Phones (Part I)
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Background: Mobile phones are approximately widely used everywhere like in hospital wards, clinics and universities as well as biomedical laboratories. They have become very important tool in students’ life. In contrast, these tools carry many harmful bacteria which are responsible for infectious diseases in human because they serve as a reservoir for different pathogens. Current study was aimed to isolate bacteria from students’ mobile phones at the Institute of Medical Technology/Al-Mansour/The Middle Technical University, Baghdad, Iraq. Also, the study investigated microbial resistance to many antimicrobial agents as well as the appropriate remedial measures. Method: Four hundred and fifty swabs from mobile phones were collected from

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Publication Date
Mon Oct 17 2022
Journal Name
Sustainability
Analysis and Residual Behavior of Encased Pultruded GFRP I-Beam under Fire Loading
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In this paper, fire resistance and residual capacity tests were carried out on encased pultruded glass fiber-reinforced polymer (GFRP) I-beams with high-strength concrete beams. The specimens were loaded concurrently under 25% of the ultimate load and fire exposure (an increase in temperature of 700 °C) for 70 min. Subsequently, the fire-damaged specimens were allowed to cool and then were loaded statically until failure to explore the residual behaviors. The effects of using shear connectors and web stiffeners on the residual behavior were investigated. Finite Element (FE) analysis was developed to simulate the encased pultruded GFRP I-beams under the effect of fire loading. The thermal analyses were performed using the general-pu

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Publication Date
Fri Sep 23 2016
Journal Name
Spie Proceedings
Quantifying charge trapping and molecular doping in organic p-i-n diodes
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Publication Date
Sun Jun 05 2016
Journal Name
Baghdad Science Journal
Synthesis and Characterization of Cu(I)-Folic Acid Complex A Theoretical and Experimental Study
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Copper (I) complex containing folic acid ligand was prepared and characterized on the basis of metal analyses, UV-VIS, FTIR spectroscopies and magnetic susceptibility. The density functional theory (DFT) as molecular modeling calculations was used to determine the donor atoms of folic acid ligand which appear clearly at oxygen atoms binding to hydrogen. Detection of donation sights is supported by theoretical parameters such as geometry, mulliken population, mulliken charge and HOMO-LUMO gap obtained by DFT calculations.

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