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Structure and in silico simulations of a cold-active esterase reveals its prime cold-adaptation mechanism
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Here we determined the structure of a cold active family IV esterase (EstN7) cloned from Bacillus cohnii strain N1. EstN7 is a dimer with a classical α/β hydrolase fold. It has an acidic surface that is thought to play a role in cold-adaption by retaining solvation under changed water solvent entropy at lower temperatures. The conformation of the functionally important cap region is significantly different to EstN7's closest relatives, forming a bridge-like structure with reduced helical content providing greater access to the active site through more than one substrate access tunnel. However, dynamics do not appear to play a major role in cold adaption. Molecular dynamics at different temperatures, rigidity analysis, normal mode analysis and geometric simulations of motion confirm the flexibility of the cap region but suggest that the rest of the protein is largely rigid. Rigidity analysis indicates the distribution of hydrophobic tethers is appropriate to colder conditions, where the hydrophobic effect is weaker than in mesophilic conditions due to reduced water entropy. Thus, it is likely that increased substrate accessibility and tolerance to changes in water entropy are important for of EstN7's cold adaptation rather than changes in dynamics.

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Publication Date
Thu Jun 10 2021
Journal Name
Neuroquantology
Atmospheric Emissions Effects and Mechanism
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Humanity's relationship with the environment is a delicate balance. Since the industrial revolution, the world's population has grown at an exponential rate, and this has a major environmental effect. Deforestation, pollution, and global climate change are just a few of the negative consequences of population and technological growth. Particulates, Sulphur dioxide (SO2), and nitrogen oxides (NOx) are the primary pollutants that harm our health. These contaminants may be directly emitted into the atmosphere (primary pollutants) or formed in the atmosphere from primary pollutants reacting (secondary pollutants. Tropospheric ozone is created When water reacts with volatile organic compounds (VOC) and nitrogen oxides (NOx) in the presen

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Publication Date
Sun Sep 04 2011
Journal Name
Baghdad Science Journal
Jordan left (?,?) -derivations Of ?-prime rings
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It was known that every left (?,?) -derivation is a Jordan left (?,?) – derivation on ?-prime rings but the converse need not be true. In this paper we give conditions to the converse to be true.

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Publication Date
Wed Mar 18 2020
Journal Name
Baghdad Science Journal
Identification of Cladosporium sp. Fungi by in- silico RFLP-PCR
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Cladosporium sp. plays an important role in human health, it is one of the pathogenic fungi which cause allergy and asthma and most frequently isolated from airborne spores.  In this study, a couple of universal PCR primers were designed to identify the pathogenic fungi Cladosporium sp. according to conserved region 5.8S, 18S and 28S subunit ribosomal RNA gene in Cladosporium species. In silico RFLP-PCR were used to identify twenty-four Cladosporium strains. The results showed that the universal primer has the specificity to amplify the conserved region in 24 species as a band in virtual agarose gel. They also showed that the RFLP method is able to identify three Cladosporium spe

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Publication Date
Fri Jan 01 2021
Journal Name
Materials Today: Proceedings
In silico analysis of quercetin as potential anti-cancer agents
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Publication Date
Sun Sep 04 2011
Journal Name
Baghdad Science Journal
Semigroup ideal in Prime Near-Rings with Derivations
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In this paper we generalize some of the results due to Bell and Mason on a near-ring N admitting a derivation D , and we will show that the body of evidence on prime near-rings with derivations have the behavior of the ring. Our purpose in this work is to explore further this ring like behavior. Also, we show that under appropriate additional hypothesis a near-ring must be a commutative ring.

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Publication Date
Tue Jan 01 2013
Journal Name
J. Baghdad For Sci
Numerical Simulations of Imaging Extrasolar Planets using Circular and Square Apodize Apertures
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Numerical simulations are carried out to assess the quality of the circular and square apodize apertures in observing extrasolar planets. The logarithmic scale of the normalized point spread function of these apertures showed sharp decline in the radial frequency components reaching to 10-36 and 10-34 respectively and demonstrating promising results. This decline is associated with an increase in the full width of the point spread function. A trade off must be done between this full width and the radial frequency components to overcome the problem of imaging extrasolar planets.

Publication Date
Tue Sep 26 2023
Journal Name
Crossroads. A Journal Of English Studies
Vowel adaptation patterns within English loanwords in Iraqi Arabic
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This research examines the phonological adaptation of pure vowels in English loanwords in Iraqi Arabic (IA). Unlike previous small-scale studies, the present study collected 346 loanwords through document review and self-observation, and then analyzed them using quantitative content analysis to identify the patterns of pure vowel adaptation involved in incorporating English loanwords into IA. The content analysis findings showed that most pure vowel adaptations in English loanwords in IA follow systematic patterns and may thus be attributed to specific characteristics of both L1 and L2 phonological systems. Specifically, the findings suggest that the IA output forms typically preserve the features of the input pure vowel to the maxi

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Publication Date
Fri Mar 30 2001
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Kinetic Mechanism on Thermal Degradation of a Nitrate Ester Propellant
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Publication Date
Sat Dec 01 2018
Journal Name
Al-khwarizmi Engineering Journal
The Computational Fluid Dynamic Simulations for Gangrene Disease in Diabetic Foot
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The diabetic foot is considered one of the long term diabetes complications caused by a defect in blood vessel and nerve system. This requires dealing with diabetic foot with professional medical care, so as to prevent its development in advanced stages which could end to gangrene and amputation of the foot. This study has been initiated through follow-up of twelve patients with diabetes and the presence various occlusions in lower limb artery. One patient from them was chosen for investigation, this patient has stenosis in popliteal artery and presence multiple stenosis in superficial femoral artery. This study based on analysis present case of patient and prediction for progress stenosis in superficial femoral artery till arrive semi t

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Publication Date
Thu Jul 18 2019
Journal Name
Annals Of Tropical Medicine & Public Health
SURVIVIN TARGETING; AN IN SILICO APPROACH FOR ANTICANCER DESIGN
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Survivin, a member of inhibitor of apoptosis family is increasingly used as a target for cancer therapy design because it has a key role in cell growth and inhibition of cell apoptosis. Also it can be used as a biomarker for targeting cancer because it is found in almost all cancer but not normal cells. Our strategy was to design (computationally) a molecule to be used as survivin inhibitor. This molecule was named lead10 and was used furthermore to find (virtually) existing drugs with a good survivin inhibition activity.