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Thermodynamics and Kinetics of Hydrogen Transfer Mechanism in1-[(E)-1, 3-Benzothiazol-2-Ylazo]Naphthalen-2-Ol Tautomers in Aqueous Medium/ Density Functional Theory
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     Enol-Keto tautomerism in 1-[(E)-1,3-benzothiazol-2-ylazo]naphthalen-2-ol has been studied using the B3LYP functional of density functional theory (DFT) with 6-31G(d,p) basis set. Relative and absolute energies, transition state geometries (TS), dipole moments, entropies, enthalpies and Gibbs free energies, equilibrium constants (KT) and rate of tautomerization (kr) were calculated. Also, the computations of geometries and vibration frequencies for the tautomers were calculated and compared. The results of the calculations showed that the enol form is the most stable form than other isomers, this might be due to intra-hydrogen bonding. The TS1 activation energies for tautomer A ↔ B, tautomer A ↔ C and tautomer B ↔ C are 92.65, 199.56 and 225.71 kJ/mol respectively. The TS1 is lower than TS2 by 102 kJ/mol, showing that A ↔ B and B ↔ C paths are thermodynamic control and A ↔ C path is a kinetic control. The overall calculated KT ≈ 1, indicating that all tautomers present in significant proportions.

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Publication Date
Thu Nov 02 2023
Journal Name
Al-rafidain Journal Of Medical Sciences ( Issn 2789-3219 )
Role of Human β-Defensin-3 in Rheumatoid Arthritis: An Observational Single-Center Study
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Background: It's believed that HBD-3 is involved in the tissue remodeling process of articular cartilage. Also, HBD-3 has anti-inflammatory properties. Objectives: The purpose of this study is to assay human beta-defensine-3 (HBD-3) in serum from rheumatoid arthritis (RA) patients and investigate its correlation with proinflammatory cytokines. Methods: In this case-control study, fifty-eight RA patients were aged 20–65 years, and 29 age-matched healthy subjects (HS) had no inflammatory rheumatic diseases. The disease activity score-28 joint erythrocyte sedimentation rate (DAS28-ESR) was used to measure RA activity. CRP, ACPA, HBD-3, TNF-α, and IL-1β were assessed using the enzyme-linked immunosorbent assay technique (ELISA). Res

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Publication Date
Mon May 01 2023
Journal Name
Environmental Nanotechnology, Monitoring & Management
Photodegradation of tetracycline antibiotic by ternary recyclable Z-scheme g-C3N4/Fe3O4/Bi2WO6/Bi2S3 photocatalyst with improved charge separation efficiency: Characterization and mechanism studies
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Publication Date
Sun Dec 12 2021
Journal Name
Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)
Possible Protective Effects of Omega 3, Diazepam and their Combination Against Yohimbine-Induced Clonic Seizure in Mice: Comparative Study
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     Yohimbine is actually confirmed in the United States to be utilized for erectile dysfunction; and recently such drug has become commonly used in body-building communities for its presumed lipolytic and sympathomimetic effects. But ingestion of such drug can bring about epileptic neurotoxic effects.

Many antiepileptic drugs can be utilized to counteract myoclonic seizure; furthermore, diazepam can be used to oppose such type of seizure; in addition, surrogate therapeutic options such as omega 3 may also be utilized.  

In this study, twenty-four (24) mice of both sexes weighing 20-25g were randomly-allocated into 4 groups (6 animals each group) as follows: Group I-

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Publication Date
Mon Feb 25 2019
Journal Name
Iraqi Journal Of Physics
The distance variation due to mass transfer and mass loss in (13.6+8) Mand (13+10) M binary star systems
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In this research the change in the distance of the two stars in two binary star systems (13.6+8)M8and (13+10)Mwas studied, through the calculations the value  (rate of mass transfer) of the two phases of dynamical stages of mass which are mass loss and mass transfer has been extracted in its own way ,by extracting the value of  the value of (the distance variation between the two stars) has been found only in the mass transfer stage by using mathematical model ,in mass loss stage  and   were calculated from the change and the difference between the values of each at different times of binary star system evolution ,it was found that  the maximum values of  and  are in ma

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Publication Date
Thu Jul 01 2021
Journal Name
Iraqi Journal Of Science
Some Identities of 3-Prime Near-Rings Involving Jordan Ideals and Left Generalized Derivations
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In the current paper, we study the structure of Jordan ideals of a 3-prime near-ring which satisfies some algebraic identities involving left generalized derivations and right centralizers. The limitations imposed in the hypothesis were justified by examples.

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Publication Date
Wed Feb 08 2023
Journal Name
Iraqi Journal Of Science
Peristaltic Transport for Fractional Generalized Maxwell Viscoelastic Fluids through a Porous Medium in an Inclined Channel with Slip Effect
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In this paper we present a study on Peristaltic of fractional generalized Maxwell viscoelastic fluid through a porous medium. A modified Darcy-Brinkman model is utilized to simulate the flow of a generalized Maxwell fluid in a porous medium in an inclined channel with slip effect. The governing equation is simplified by assuming long wavelength and low Reynolds number approximations. The numerical and approximate analytical solutions of the problem are obtained by a semi-numerical technique, namely the homotopy perturbation method. The influence of the dominating physical parameters such as fractional Maxwell parameter, relaxation time, amplitude ratio, permeability parameter, Froude number, Reynolds number and inclination of channel on

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Publication Date
Sun Sep 01 2024
Journal Name
Journal Of Current Science And Technology
Comparison of Serum Vitamins C, D, and E in Iraqi Colorectal Cancer Patients with and without Non-Alcoholic Fatty Liver Disease to Healthy Individuals
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Abstract Depending on their protective properties against different cases of Colorectal Cancer (CRC), vitamins C, D, and E are the main focus of this research. CRC is one of the global public health concerns. 30 healthy individuals provided serum samples, whereas the group of CRC patients was divided into three, totaling 90 individuals. Group I consisted of 30 newly diagnosed cases of CRC. Group II 30 consisted of consisted of 30 CRC patients who were administered three cycles of chemotherapy. Group III consisted of 30 diagnosed CRC patients who also have non-alcoholic fatty liver disease (NAFLD). The concentrations and groups of vitamins C, D, and E were evaluated using ELISA. The levels of Vitamin C were significantly lower (p &l

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Publication Date
Mon Mar 01 2021
Journal Name
Journal Of Physics: Conference Series
Annual Behavior of Electron Density and Critical Frequency Parameters During Maximum and Minimum Years of Solar Cycles 22, 23 and 24
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Abstract<p>In this work, the annual behavior of critical frequency and electron density parameters of the ionosphere have been studied for the years (1989, 2001 and 2014) and (1986, 1996 and 2008) which represent the maximum and minimum of years in the solar cycles (22, 23 and 24) respectively. The annual behavior of (Ne, f<sub>o</sub> ) parameters have been investigated for different heights of Ionosphere layer (100 -1000) Km. The dataset was created both of critical frequency and electron density parameters by using the international reference ionosphere model (IRI-2016 model). This study showed result that during the maximum solar cycles the values of the (Ne) parameter change with </p> ... Show More
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Publication Date
Thu Mar 30 2023
Journal Name
Iraqi Journal Of Science
Slip Effect on the Peristaltic Transport of MHD Fluid through a Porous Medium with Variable Viscosity
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The present paper concerns with peristaltic analysis of MHD viscous fluid in a two dimensional channel with variable viscosity through a porous medium under the effect of slip condition. Along wave length and low Reynolds number assumption is used in the problem formulation. An analytic solution is presented for the case of hydrodynamic fluid while for magneto hydrodynamic fluid a series solution is obtained in the small power of viscosity parameter. The salient features of pumping and trapping phenomena are discussed in detail through a numerical integration. The features of the flow characteristics are analyzed by plotting graphs and discussed in detail. When .

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Publication Date
Thu Mar 30 2023
Journal Name
Iraqi Journal Of Science
Enhancement of prodigiosin production by Serratia marcescens S23 via introducing microbial elicitor cells into culture medium
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The present study was designed to investigate the possibility of exploiting the interspecies interaction of microbial cells in order to enhance the production of prodigiosin by local isolate S. marcescens S23. Prodigiosin is a promising drug owing to its characteristics of antibacterial, antifungal, immunosuppressive and anticancer activities. S. marcescens S23 was isolated from soil sample and already recognized via morphological, biochemical and molecular identification process. The first step was to detect the optimal conditions for maximum prodigiosin production using chemically defined liquid medium. The results revealed that the optimal conditions for prodigiosin production were sucrose as carbon source; peptone as nitrogen source;

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