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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
Tue Jan 01 2019
Journal Name
Baghdad Science Journal
Hazard Rate Estimation Using Varying Kernel Function for Censored Data Type I Article Sidebar
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n this research, several estimators concerning the estimation are introduced. These estimators are closely related to the hazard function by using one of the nonparametric methods namely the kernel function for censored data type with varying bandwidth and kernel boundary. Two types of bandwidth are used: local bandwidth and global bandwidth. Moreover, four types of boundary kernel are used namely: Rectangle, Epanechnikov, Biquadratic and Triquadratic and the proposed function was employed with all kernel functions. Two different simulation techniques are also used for two experiments to compare these estimators. In most of the cases, the results have proved that the local bandwidth is the best for all the types of the kernel boundary func

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Publication Date
Sun Jun 13 2021
Journal Name
Molecular Crystals And Liquid Crystals
Liquid crystal behavior of Ag(I) complexes based on a series of mesogenic 1,3,4-thiadiazole ligands
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Publication Date
Tue Mar 30 2021
Journal Name
Baghdad Science Journal
Future of Mathematical Modelling: A Review of COVID-19 Infected Cases Using S-I-R Model
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The spread of novel coronavirus disease (COVID-19) has resulted in chaos around the globe. The infected cases are still increasing, with many countries still showing a trend of growing daily cases. To forecast the trend of active cases, a mathematical model, namely the SIR model was used, to visualize the spread of COVID-19. For this article, the forecast of the spread of the virus in Malaysia has been made, assuming that all Malaysian will eventually be susceptible. With no vaccine and antiviral drug currently developed, the visualization of how the peak of infection (namely flattening the curve) can be reduced to minimize the effect of COVID-19 disease. For Malaysians, let’s ensure to follow the rules and obey the SOP to lower the

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Publication Date
Sat Feb 08 2025
Journal Name
Journal Of Baghdad College Of Dentistry
Histological evaluation of local application of collagen I and /or vascular endothelial growth factor (An experimental study in rats)
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Background: The study was designed to evaluate the effect of local application of exogenous VEGF/collagen I separately and as a combination in socket healing. Sixty male Albino Wistar rats were subjected for a surgical tooth extraction of upper 1st molar of both sides (right side was considered as experimental site, while left be the control one, treated with 1µL of normal saline). The rats were scarified at 3, 7, 14, 28 days post extraction. Socket healing was histologically examined with immunohistochemistochemical localization of ALP&FGF2. Materials and Method: Sixty male Albino Wistar rats were subjected for a surgical tooth extraction of upper 1stmolar of both sides (right side was considered as experimental site, while left be the

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Publication Date
Sun Jul 31 2022
Journal Name
Iraqi Journal Of Science
Potential Role of TLR3 and RIG-I Genes Expression in Surviving COVID-19 Patients with Different Severity of Infection
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      Immunological genes, including TLR3 and RIG-I, have recently been established to have linked to predisposition to coronavirus disease 2019 (COVID-19) and its severity. The purpose of this case-control study (100 recovered COVID 19 cases and 100 healthy individuals) was to determine the role of gender, age, TLR3 and RIG-I genes in COVID-19 aggressiveness. TLR3 and RIG-I gene expression was detected using a quantitative real-time polymerase chain reaction (qRT-PCR). COVID-19 infection intensity increased with age and no statistical difference between males and females (p>0.05) was found. TLR3 and RIG-I gene expression levels were higher in patients compared to hea

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Publication Date
Wed Feb 08 2023
Journal Name
Iraqi Journal Of Science
Determination of oxonium ion and application via quenching of continuous fluorescence light (fluorescein salt) using I- -IO3--H3O+ system
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The research work present a sensitive, accurate and fast developed for the determination of oxonium ion (HCl, H2SO4 , HClO4 and tartaric acid). It relies on the formation free iodine molecule from the I--IO3--H3O+ reaction which react with fluorescein sodium salt solution causing to quench the fluorescence light (continuous fluorescence) when irradiated by laser source at 405nm. Optimum parameters were studied giving to specify the chemical and physical parameters. Two line manifold was used. The flow rate of 1.3 and 1.5 mL/min was used, 35μL sample volume no.1 and sample volume no.2 , linear dynamic range extend from 0.05-7, 0.05-7, 0.1-10 and 0.1-10 mMol.l-1 with correlation coefficient of 0.9933, 0.9964, 0.9984 and 0.9973 for HCl, H2

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Publication Date
Sun Dec 07 2008
Journal Name
Baghdad Science Journal
EFFECT OF HARDENING TO DROUGHT TOLERANCE ON THE MOISTURE CONTENT OF SUNFLOWER PLANT. I. MOISTURE PERCENTAGEIN ROOT AND STEM
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Two field experiments were conducted during the spring seasons of 2000,2001.The aim was to study the effect of hardening to drought tolerance on moisture percentage in root and stem of sunflower plant during growth stages . Asplit-split plots design was used with three replications.The main plots included irrigation treatments:irrigation to100%(full irrigation),75and50%of available soil water.The sub plots were the cultivars Euroflor and Flame.The sub-sub plots represented four seed soaking treatments :Control(unsoaked),soaking in water ,Paclobutrazol solution(250ppm),and Pix solution(500ppm). The soaking continued for 24 hours then seeds were dried at room temperature until they regained their original weight. Amount of water

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Publication Date
Sun Jul 30 2023
Journal Name
Iraqi Journal Of Science
Influence of Magnetic Force for Peristaltic Transport of Non-Newtonian Fluid Through Porous Medium in Asymmetric Channel
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     In this paper, we study the effects of a magnetic force on the flow of hybrid bio - nano fluid (Cu - Au. NPs) for a peristaltic channel through a porous medium in an asymmetric channel. Nanoparticles of gold and copper as well as the blood (the base fluid) is taken into account. By using the Adomian decomposition method to solve the governing equations, formulas for velocity, stream function, temperature, current density, and magnetic force have been obtained. The findings show that Gold nanoparticles have an elevation magnetic force compared with copper nanoparticles, based on fluid (blood) and hybrid nanofluid. Finally, the phenomenon of trapping is offered as an explanation for the physical behavior of many parameters. The ef

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Publication Date
Sun Jun 06 2021
Journal Name
Engineering, Technology &amp; Applied Science Research
Evaluation of the Variation in Dynamic Load Factor Throughout a Highly Skewed Steel I-Girder Bridge
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The Dynamic Load Factor (DLF) is defined as the ratio between the maximum dynamic and static responses in terms of stress, strain, deflection, reaction, etc. DLF adopted by different design codes is based on parameters such as bridge span length, traffic load models, and bridge natural frequency. During the last decades, a lot of researches have been made to study the DLF of simply supported bridges due to vehicle loading. On the other hand, fewer works have been reported on continuous bridges especially with skew supports. This paper focuses on the investigation of the DLF for a highly skewed steel I-girder bridge, namely the US13 Bridge in Delaware State, USA. Field testing under various load passes of a weighed load vehicle was u

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Publication Date
Tue Jan 01 2019
Journal Name
Technologies And Materials For Renewable Energy, Environment And Sustainability: Tmrees19gr
I-V characteristics of n-Si /ZnO/Se/MWCNTs nanocomposite solar cell fabricated by solvothermal technique
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