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ANALYSIS OF A MOLECULAR DYNAMICS SIMULATION OF THE ACETYLCHOLINESTERASE ENZYME AND ITS COMPLEX WITH (AXILLARIDINE-A) INHIBITOR
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Molecular dynamics (MD) simulations were carried out in order to investigate the binding mode of axillaridine-A at the active site of human acetylcholinesterase (AChE) enzyme. 2.0 nanosecond of MD simulations was made for the protein and the complex to dynamically explore the active site and the behavior of the ligand at the peripheral AChE binding site. These calculations for the enzyme alone showed that the active site of AChE is located at the bottom of a deep and narrow cavity whose surface is lined with rings of aromatic residues and Tyr72 is almost perpendicular to the Trp286 ring and forms a stable - interaction. The size of the active site of the complex decreases with time due to increase the interaction. Axillaridine-A forms in addition to van der Waals interactions, stable - interaction with the aromatic ring of Tyr117 residue which is responsible for the inhibition of the catalytic activity of the enzyme. Finally because of the biological relevance of the target studied here, the present results can be of interest for the rational design of molecules potentially useful in the treatment of the Alzheimer's disease.

Publication Date
Sun Jul 01 1990
Journal Name
Bulletin Of The Iraq Natural History Museum (p-issn: 1017-8678 , E-issn: 2311-9799)
AQUATIC INVERTEBRATE FAUNA OF AN UPLAND RESERVOIR SYSTEM, CO-WICKLOW, IRELAND
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Littoral and benthic invertebrates from Roundwood Reservoir System were sampled. Oligochaetes and molluscs were the dominant organisms in the littoral and benthic areas Trichopterans and chironomids were the most abundant insect groups. Scuba diving samples reinforced that view. Other groups of macroinvertebrates were poorly represented. Vertical and horizontal hauls of zooplankton revealed that there were twelve species of zooplankton present. Daphnia hyalina Leydig and Bosmina coregoni Baird were the two dominant species.

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Publication Date
Fri Mar 15 2019
Journal Name
Al-khwarizmi Engineering Journal
Desalination of Highly Saline Water Using Direct Contact Membrane Distillation (DCMD)
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In this work, laboratory experiments were carried out to verify direct contact membrane distillation system’s performance in highly saline water desalination. The study included the investigation of various operating conditions, like feed flow rate, temperature and concentration of NaCl solution and their impact on the permeation flux were discussed. 16 cm2 of a flat sheet membrane module with commercial poly-tetra-fluoroethylene (PTFE) membrane, which has 0.22 μm pore size, 96 µm thickness and 78% average porosity, was used. A high salt rejection factor was obtained greater than 99.9%, and the permeation flux up to 17.27 kg/m2.h was achieved at 65°C for hot feed side and 20°C for cold side stream.

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Publication Date
Fri Oct 02 2020
Journal Name
International Journal Of Pharmaceutical Research
Corrosion Protection of Carbon Steel in Saline Solution Using Plant Extracts
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Publication Date
Sun Apr 08 2018
Journal Name
Al-khwarizmi Engineering Journal
Design of Hybrid Neural Fuzzy Controller for Human Robotic Leg System
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 In this paper, the human robotic leg which can be represented mathematically by single input-single output (SISO) nonlinear differential model with one degree of freedom, is analyzed and then a simple hybrid neural fuzzy controller is designed to improve the performance of this human robotic leg model. This controller consists from SISO fuzzy proportional derivative (FPD) controller with nine rules summing with single node neural integral derivative (NID) controller with nonlinear function. The Matlab simulation results for nonlinear robotic leg model with the suggested controller showed that the efficiency of this controller when compared with the results of the leg model that is controlled by PI+2D, PD+NID, and F

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Publication Date
Sat Oct 08 2016
Journal Name
Methods In Molecular Biology
Production of Adjuvant-Loaded Biodegradable Particles for Use in Cancer Vaccines
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Publication Date
Sun Jan 01 2023
Journal Name
International Conference Of Computational Methods In Sciences And Engineering Iccmse 2021
Penetration of charged particles in ZnO using energy loss function model
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In this paper, we propose an approach to estimate the induced potential, which is generated by swift heavy ions traversing a ZnO thin film, via an energy loss function (ELF). This induced potential is related to the projectile charge density, ρq(k) and is described by the extended Drude dielectric function. At zero momentum transfer, the resulting ELF exhibits good agreement with the previously reported results. The ELF, obtained by the extended Drude model, displays a realistic behavior over the Bethe ridge. It is observed that the induced potential relies on the heavy ion velocity and charge state q. Further, the numerical results show that the induced potential for neutral H, as projectile, dominates when the heavy ion velocity is less

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Publication Date
Sat Jan 01 2022
Journal Name
Journal Of The Mechanical Behavior Of Materials
Performance of reinforced concrete non-prismatic beams having multiple openings configurations
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Abstract<p>This experimental study demonstrates the gable-reinforced concrete beams’ behavior with several number of openings (six and eight) and posts’ inclination, aimed to find the strength reduction in this type of beam. The major results found are: for the openings extending over similar beam length it is better to increase the number of posts (openings), <italic>i.e.</italic>, increasing opening number led to decrease in opening area, which allows us to transmit stresses and act as lever arms between the upper and the lower chords. Also, findings revealed that the inclined posts have larger loading at the mid-point relative to vertical ones. For gables with vertical posts hav</p> ... Show More
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Publication Date
Thu Oct 01 2020
Journal Name
Journal Of Engineering
Load-settlement Behavior of Steel Piles in Different Sandy Soil Configurations
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In the case where a shallow foundation does not satisfy with design requirements alone, the addition of a pile may be suitable to improve the performance of the foundation design. The lack of in-situ data and the complexity of the issues caused by lagging in the research area of pile foundations are notable. In this study, different types of piles were used under the same geometric conditions to determine the load-settlement relationships with various sandy soil relative densities. The ultimate pile capacity for each selected pile is obtained from a modified California Bearing Ratio (CBR) machine to be suitable for axial pile loading. Based on the results, the values of Qu for close-ended square pile were increased by 15

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Publication Date
Wed Sep 18 2024
Journal Name
Karbala International Journal Of Modern Science
Synthesis of ZnO: ZrO2 Nanocomposites Using Green Method for Medical Applications
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Publication Date
Thu Dec 01 2016
Journal Name
Chemical Engineering Science
Carbon dioxide rich microbubble acceleration of biogas production in anaerobic digestion
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