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

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Publication Date
Tue Jan 30 2024
Journal Name
Iraqi Journal Of Science
Machine Learning Based Crop Yield Prediction Model in Rajasthan Region of India
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     The present study investigates the implementation of machine learning models on crop data to predict crop yield in Rajasthan state, India. The key objective of the study is to identify which machine learning model performs are better to provide the most accurate predictions. For this purpose, two machine learning models (decision tree and random forest regression) were implemented, and gradient boosting regression was used as an optimization algorithm. The result clarifies that using gradient boosting regression can reduce the yield prediction mean square error to 6%. Additionally, for the present data set, random forest regression performed better than other models. We reported the machine learning model's performance using Mea

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Publication Date
Fri Dec 01 2023
Journal Name
Iop Conference Series: Earth And Environmental Science
Phylogenetic Relationship of Iraqi Vespa orientalis Linnaeus 1771 Wasps Using Mitochondrial CO1
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Abstract<p>Oriental wasps are scavengers, and they have also represented an enormous issue for beekeepers, they destroy beehives and reduce the flight of bees. In addition, the sting of hornets may cause medical problems, which differ according to the response of the individuals, including severe sensitivity, swelling, and slight pain. This study provides the first molecular phylogeny of the oriental wasp <italic>Vespa orientalis</italic> L. in Iraq. Mitochondrial DNAs of the 547bp fragment cytochrome oxidase subunit 1 (CO1) area were sequenced and analyzed from 10 wasp specimens collected in the north, middle, and south of Iraq. The CO1 gene found in the Iraqi isolates was used to cre</p> ... Show More
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Publication Date
Wed Jun 28 2023
Journal Name
The Iraqi Journal Of Veterinary Medicine
Antibacterial Activity of Lactiplantibacillus plantarum‎ from Dairy Products ‎Against Some ‎Foodborne Bacteria
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Lactiplantibacillus plantarum‎, one of lactic acid bacteria (LAB), is found in various foods, ‎‎including dairy products, meat, and vegetables, and most of these bacteria offer beneficial ‎‎effects to humans and animals as potential probiotics with broad-spectrum antimicrobial ‎‎activities. The aim of this study was evaluating the antibacterial efficacy of L. ‎plantarum‎ ‎against ‎some foodborne bacteria isolated from dairy products. This research involved 34 dairy ‎products, ‎including local and imported milk, cheese, and yogurt sold locally in Baghdad ‎province, Iraq, during May ‎‎2022. For the isolation of L. ‎plantarum‎, a special medium called ‎MRS (de Man Rogosa and ‎Sharpe) was applied. Colonie

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Publication Date
Tue Dec 20 2022
Journal Name
International Journal Of Emerging Technologies In Learning (ijet)
Effect of Augmented Reality Technology on Spatial Intelligence among High School Students
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Spatial Intelligence is a mental ability to understand and solve real-world problems. These visual-spatial representations are fundamental in learning various "STEM" topics, like digital drawing, art presentations, creating graphical representations, 2D designs. Opportunity to interact with real and/or virtual objects. It is a good opportunity in applying new techniques such as the augmenter, which is able to clarify mathematical tables, concepts and generalizations greatly to the visualization, understanding and mastery of concepts mathematically. The purpose of the research is to investigate impact of using AR technology in developing spatial intelligence for secondary school students, Baghdad. The quasi-experimental design was us

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Publication Date
Wed Jul 01 2020
Journal Name
2020 42nd Annual International Conference Of The Ieee Engineering In Medicine &amp; Biology Society (embc)
Recurrent Fusion of Time-Domain Descriptors Improves EMG-based Hand Movement Recognition
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Publication Date
Mon Dec 06 2021
Journal Name
Karbala International Journal Of Modern Science
Efficiency of +IDonBlender Photogrammetric Tool in Facial Prosthetics Rehabilitation – An Evaluation Study
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Publication Date
Sat May 08 2021
Journal Name
Iraqi Journal Of Science
Vertical Accuracy of Digital Elevation Models Based on Differential Global Positioning System
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The Digital Elevation Model (DEM) has been known as a quantitative description of the surface of the Earth, which provides essential information about the terrain. DEMs are significant information sources for a number of practical applications that need surface elevation data. The open-source DEM datasets, such as the Advanced Space-borne Thermal Emission and Reflection Radiometer (ASTER), the Shuttle Radar Topography Mission (SRTM), and the Advanced Land Observing Satellite (ALOS) usually have approximately low accuracy and coarser resolution. The errors in many datasets of DEMs have already been generally examined for their importance, where their quality could be affected within different aspects, including the types of sensors, algor

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Publication Date
Sat May 01 2021
Journal Name
Journal Of Physics: Conference Series
Anatomical study of Solanum nigrum L. from Solanaceae family growing in Iraq
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Abstract<p>The most important features that we have reached through this study, are shown the cross-section of root were in the secondary growth stage and the epidermis of leaf were studded by stomata complex, the type of it was anomocytic that’s mean no have subsidiary cells around the guard cells, the mesophyll bifacial also the midrib region of leaf like the pear and the vascular bundle located in the center crescent in shape. The cross-sections of petiole ovate shape with two ears in the lateral side and the vascular bundles crescent in shape. The cross-section of fruits circular component of three-layer the outer layer pericarp, mesocarp, and the endocarp, surrounding the ovary or the see</p> ... Show More
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Publication Date
Sun Mar 17 2019
Journal Name
Baghdad Science Journal
Spectrophotometric Determination of Chlorpromazine Hydrochloride Using 4-Nitroanilline by Oxidative Coupling Reaction
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A simple, rapid spectrophotometric method has been established for the determination of chlorpromazine hydrochloride (CPZ) in its pure form and in a tablet formulations. The  suggested  method  is  based  on  the  oxidative coupling  reaction  with4-nitroainlline using KIO3 in acidic solution to produce a violet colored product with maximum absorption at λ=526 nm.The  analytical data  obtained  throughout  this  study  could  be  summarid  as  follows:  1ml of 1M HCl (pH=2.2), 1 ml  of  4-nitroanilline (1x10-2M), and 1.5ml  of (1x10-2)KIO3 per 25 ml reaction medium. The order of a

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Publication Date
Sat Jan 01 2011
Journal Name
Iraqi Journal Of Physics
Measurement of Background Radioactivity in Baghdad's Main Water Supply Stations: Sediment Samples
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Sediment samples were collected from main water processing and supply plants in Baghdad, and tested for radioactivity from both natural and artificial sources. These stations are: East Dijla (Tigris), Al-Kadisia, Al-Karama, Al-Rasheed, Al-Sader, Al-Wathba, and Al-Wihda supply stations. Qualitative measurements were made, and the results showed that most sediments exhibited natural radioactive level and sometimes less than the international regular standards. Specially, K-40 and Ra-226 results were much less than the standards for radioactive concentrations. Ac-228 concentration was found rather than Th-232 (in Al-Sader and Al-Wihda samples) but with low concentrations of about 10-15 Bg/kg and detection confidence ~45% , and Ce-141 and Be

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