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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
Sun Jul 09 2023
Journal Name
Journal Of Engineering
Reaction Kinetics of Tert-Butanol Esterification
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In this study, the kinetics for the reaction of tert-butanol esterification with acetic acid in the presence of Dowex 50Wx8 catalyst was investigated. The reaction kinetic experiments were conducted in 1000 milliliter vessel at temperatures ranged from 50 - 80 oC, catalyst loading 25-50 g/L, and the molar ratios of acetic acid to tert-butanol from 1/3 – 3/1. The reaction rate was found to increase with increasing temperature and catalyst loading. It was also found the conversion of the tert-butanol increases as the molar ratio of acid to alcohol increases from 1/3 – 3/1. The Non-ideality of the liquid phase was taken into account by using activities instead of molar fractions. The activity coefficients were calculated according to th

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Publication Date
Mon Sep 30 2002
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Kinetics of Hydrodesulfurization Catalyst Rejuvenation Process
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Publication Date
Fri Nov 18 2005
Journal Name
Acta Crystallographica Section E
Bis(μ3-4-bromo­phenyl­imido)tris­(tricarbonyl­ruthenium)(2 Ru—Ru)
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The title compound, [Ru3(μ3-NC6H4Br)2(CO)9], is a V-shaped triruthenium cluster, each side of the V being face-capped by a 4-bromo­phenyl­imide ligand. Each Ru atom is also ligated by three terminal carbonyl ligands. There are two molecules in the asymmetric unit with minor conformational differences.

Publication Date
Wed Sep 12 2018
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Network Performance Analysis Based on Network Simulator NS-2.
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     NS-2 is a tool to simulate networks and events that occur per packet sequentially based on time and are widely used in the research field. NS-2 comes with NAM (Network Animator) that produces a visual representation it also supports several simulation protocols. The network can be tested end-to-end. This test includes data transmission, delay, jitter, packet-loss ratio and throughput. The Performance Analysis simulates a virtual network and tests for transport layer protocols at the same time with variable data and analyzes simulation results based on the network simulator NS-2.

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Publication Date
Tue Mar 28 2017
Journal Name
Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)
The Correlation Between Hyperglycemia and Rheumatoid Factor in Type 2 Diabetic Patients in Al- Risafa Area, Baghdad
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Diabetes mellitus type 2 (T2DM) formerly called non-insulin dependent diabetes mellitus (NIDDM) or adult-onset diabetes is a common disease. Rheumatoid factor is a well-established test used in the diagnosis and follows the prognosis of rheumatoid arthritis (RA). Rheumatoid factor is sometimes found in serum of patients with other diseases including diabetes mellitus (DM), due to the presence of pro-inflammatory cytokines such as TNF- α which play an important role in chronic inflammatory and autoimmune diseases like rheumatoid arthritis (RA). The aim of the study is to investigate the associations between type 2 diabetes mellitus (T2DM) and rheumatoid arthritis (RA) in scope of rheumatoid factor (RF), hyperglycemia a

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Publication Date
Sat Oct 01 2022
Journal Name
Baghdad Science Journal
The Role of Serum Chitinase-3-Like 1 Protein (YKL-40) Level and its Correlation with Proinflammatory Cytokine in Patients with Rheumatoid Arthritis
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Chitinase-3-like 1 protein (YKL-40) is a glycoprotein primarily produced in the arthritic joint and plays a crucial role in inflammatory processes. The aim of the study is to establish the role of YKL-40 as a biomarker for rheumatoid arthritis (RA) compared to proinflammatory biomarkers and disease activity. The study included 58 patients and 18 control. Diseases activity score (DAS-28) and clinical disease activity index (CDAI) were measured. Serum level of YKL-40, tumor necrosis factor-α (TNF-α), interleukin-1B (IL-1β), erythrocyte sedimentation (ESR), rheumatoid factor (RF), C-reactive protein (CRP), and anti-citrullinated protein antibody (ACPA) were assessed. The results showed that the median serum YKL-40 level which was 5.42 

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Publication Date
Sun Mar 26 2017
Journal Name
Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)
Estimation of Oxidative Stress and Some Trace Elements in Iraqi Men Patients with Type 2 Diabetes Mellitus
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Type 2 diabetes mellitus (T2DM) is a chronic disorder that is associated with the imbalance of trace elements which are involved in many functions especially enzyme activities. Changes in the levels of serum elements probably can create some complications in type 2 diabetes mellitus.  Previous experimental and clinical studies report that oxidative stress plays a major role in the pathogenesis and development of (T2DM). However, the exact mechanism of oxidative stress could contribute to and accelerate the development of (T2DM).

The aim of this study contained the following sections: firstly, to determine some biochemical parameters in subjects with type 2 diabetes mellitus (T2DM) like lipid peroxidation marker, malondialdeh

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Publication Date
Fri Nov 24 2023
Journal Name
Iraqi Journal Of Science
Evaluation Cytotoxic Effect of Nostoc sp. and Scenedesmus acuminatus Extracts on Cell Line Hep -2 in vitro
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In this Study, isolate and identification two types of algae Scenedesmus acuminatus (Lag.) Chodat belonging to Division of green –algae and Nostoc sp. Of the belong to Division of cyanobacteria from fountain pool at the University of Al- Mustansiriya. Use culture medium Chu- 10 for growth of algae on batch culture in the laboratory conditions (25 ˚ c ±2 and light intensity 200 μE/m²/sec the light:dark regime was used 16:8 hrs). Harvested culture after fourteen days of age farm. Use methanol 95% to extract active compound from raw dry biomass, Tested the effectiveness of the efficiency of the cell extract toward the cell line (human larynx cancer) Hep-2 from biotechnology center at the University of Alnahrain university and differen

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Publication Date
Fri Jul 01 2022
Journal Name
Health Science Reports
Immunohistochemical expression of angiotensin‐converting enzyme 2 in superficial and deep maxillofacial tissues: A cross‐sectional study
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Abstract<sec><title>Background and Aims

The involvement of maxillofacial tissues in SARS‐CoV‐2 infections ranges from mild dysgeusia to life‐threatening tissue necrosis, as seen in SARS‐CoV‐2‐associated mucormycosis. Angiotensin‐converting enzyme 2 (ACE2) which functions as a receptor for SARS‐CoV‐2 was reported in the epithelial surfaces of the oral and nasal cavities; however, a complete understanding of the expression patterns in deep oral and maxillofacial tissues is still lacking.

Methods

The immunohistochemical expression of ACE2 was analyzed in 95 specimens from maxillofacial tissues and 10 specimens o

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Publication Date
Sun Jun 05 2016
Journal Name
Baghdad Science Journal
Evaluation of Serum Malondialdehyde, Glutathione and Lipid Profile Levels in Iraqi Females with Type 2 Diabetes Mellitus
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This study is carried out on patients with type 2 diabetes mellitus to assess the lipid profile, malondialdehyde and glutathione. Our study is concerned with 51 (Iraqi Arab females) patients of type 2 diabetes mellitus compared with 31 control subjects unified in age, sex and ethnic background. Lipid profile is measured by using commercially available kits, while the serum MDA and glutathione levels are measured by means of sandwich ELISA test using commercially available kits. Serum MDA is significantly higher (P<0.001) while glutathione is significantly lower (P<0.001) in type 2 diabetic patients when compared to the control. The normal levels of MDA (3.82 ± 0.77n mol/ml) and GSH (2.23 ± 0.54 µg/ml) recorded for the non-diabetic female

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