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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
Tue Jun 30 2009
Journal Name
Al-kindy College Medical Journal
Bloody Diarrhoea anl0ng Children under five years of Age in Tikirit Teaching Hospital
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ObjectiveIs to study the causes of bloody diarrhea in in (50)cases (37%) , Shigella spp in (25) cases (18% and
children under five years of age and to clarify their relations Campylobacter jejuni Icases only (0.75%)
to the type offood and mothers educational level ConciusionBloody diarrehea is common in children under
methods Ahospital based study was carried out at tikreet 5years age who were admitted to Tikreet Teaching Hospital
teaching Hospital in Tikreet city on 133 children who were in Tikreet city , There is astrong positive relationship
admitted to the hospital with bloody diarrehea their ages between the occurrence of bloody diarrehea and the type of
range between one month -5years. The period study is from foo

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Publication Date
Mon Mar 01 2021
Journal Name
Al-khwarizmi Engineering Journal
Adsorption of Indigo Carmen Dye by Using Corn Leaves as Natural Adsorbent Material
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In this paper, the ability of using corn leaves as low-cost natural biowaste adsorbent material for the removal of Indigo Carmen (IC) dye was studied. Batch mode system was used to study several parameters such as, contact time (4 days), concentration of dye (10-50) ppm, adsorbent dosage (0.05-0.25) gram, pH (2-12) and temperature (30-60) oC. The corn leaf was characterized by Fourier-transform infrared spectroscopy device before and after the adsorption process of the IC dye and scanning electron microscope device was used to find the morphology of the adsorbent material. The experimental data was imputing with several isotherms where it fits with Freundlich (R2 = 0.9

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Publication Date
Wed Jun 18 2014
Journal Name
Desalination And Water Treatment
Removal of zinc from contaminated groundwater by zero-valent iron permeable reactive barrier
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Publication Date
Tue Aug 15 2023
Journal Name
Journal Of Economics And Administrative Sciences
Machine Learning Techniques for Analyzing Survival Data of Breast Cancer Patients in Baghdad
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The Machine learning methods, which are one of the most important branches of promising artificial intelligence, have great importance in all sciences such as engineering, medical, and also recently involved widely in statistical sciences and its various branches, including analysis of survival, as it can be considered a new branch used to estimate the survival and was parallel with parametric, nonparametric and semi-parametric methods that are widely used to estimate survival in statistical research. In this paper, the estimate of survival based on medical images of patients with breast cancer who receive their treatment in Iraqi hospitals was discussed. Three algorithms for feature extraction were explained: The first principal compone

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Publication Date
Mon Jun 30 2014
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Kinetic of Alkaloids Extraction from Plant by Batch Pertraction in Rotating Discs Contactor
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A liquid membrane process of Alkaloids extraction from Datura Innoxia solution was studied applying pertraction process in rotating discs contactor (RDC). Decane as a liquid membrane and dilute sulphuric acid as stripping solution were used. The effect of the fundamental parameters influencing the transport process, eg type of solvent used, effect of disks speed, amount of liquid membrane and effect of pH for feed and strip solution. The transport of alkaloids was analysed on the basis of kinetic laws of two consecutive irreversible first order reactions. Thus, the kinetic parameters (k1, k1,, tmax, and) for the transport of alkaloids were determined. The effect of organic membrane type on percentage of Alkaloids transport was found to be i

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Publication Date
Sat Jun 06 2026
Journal Name
Journal Of Baghdad College Of Dentistry
Immunoflourescent assessment of Herpes Simplex Virus (HSV) type 1 in oral lichen planus
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Background: Oral lichen planus is one of the most common dermatological diseases presenting in the oral cavity. Hence, viral infection of the oral mucosa may be involved in the pathogenesis of oral lichen planus, Taking in to consideration the oncogenic potential of HSV-1, this study aimed to assess the presence of Herpes Simplex Virus type one by direct immunoflourescent in oral lichen planus. This study aimed to assess the presence of HSV type1 by direct immunofluorescent in histopathologically diagnosed OLP Material and Method: Twenty formalin fixed embedded tissue blocks of oral lichen planus with 2 Positive control cases were taken from patients having infection with herpes labialis, US Biological herpes simplex virus-1 Glycoprotein

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Publication Date
Wed Dec 15 2004
Journal Name
Iraqi Journal Of Laser
Evaluation of 532 nm Laser Effect on Dental Enamel Dissolution: In Vitro Study
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to evaluate the effect of various Nd:YAG frequency doubled laser parameters on the acid
dissolution and the progression of in vitro caries like lesions in human enamel.
Materials and Methods: Human extracted caries free upper first premolar teeth were collected for
this study. The irradiated teeth were divided into two groups. The first group was irradiated with
continuous Nd:YAG laser radiation, and the second group was irradiated with chopped Nd:YAG laser
radiation. For the first group, power and exposure time were changed while for the second group
power and number of pulses were changed. The spot diameter was kept constant for all the samples.
Results: using 1.5 W and 3 seconds (exposure time), best results among

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Publication Date
Mon May 11 2020
Journal Name
Baghdad Science Journal
Proposing Robust LAD-Atan Penalty of Regression Model Estimation for High Dimensional Data
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         The issue of penalized regression model has received considerable critical attention to variable selection. It plays an essential role in dealing with high dimensional data. Arctangent denoted by the Atan penalty has been used in both estimation and variable selection as an efficient method recently. However, the Atan penalty is very sensitive to outliers in response to variables or heavy-tailed error distribution. While the least absolute deviation is a good method to get robustness in regression estimation. The specific objective of this research is to propose a robust Atan estimator from combining these two ideas at once. Simulation experiments and real data applications show that the proposed LAD-Atan estimator

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Publication Date
Sun Dec 01 2024
Journal Name
Baghdad Science Journal
Spectrophotometric determination of 4-ethylphenol using cloud point extraction in different water samples
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تصف هذه الدراسة تطوير تقنية سهلة ورخيصة ودقيقة وسريعة لقياس 4-اثيل فينول وتنطوي الطريقة الأولية على تحويل -3 نيترو انيلين إلى ملح ديازونيوم ثم التفاعل مع 4 - إثيل فينول في وسط قلوي.المعقد المتكون هو أصفر اللون وله امتصاص عند اعلى طول موجي عند 426 nm. ويتبع قانون بير في مدى خطي قدره 5-12 μg mL-1 مع معامل ارتباط قدره 0.994 وامتصاص مولاري 6.0024x10^3  L.mol-1.cm-1  وتم استُخدِام تقنية نقطة السحابة لقياس كميات قليلة جدا من الفينول باس

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Publication Date
Thu Aug 01 2024
Journal Name
Indonesian Journal Of Chemistry
Cloud Point Extraction Method for Spectrophotometric Determination of 3-Aminophenol in Environmental Samples
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This work describes the development of new spectrophotometric techniques for 3-aminophenol assessment. The first technique involves using benzidine in an alkaline solution to convert 3-aminophenol into a colored complex. The produced complex has a red color with an absorbance of 462 nm. Between the concentration range 5–14 μg mL−1, Beer's law is obeyed with a correlation coefficient (R2) of 0.99781, a limit of detection (LOD) of 0.0423 μg mL−1, and a limit of quantification (LOQ) of 0.1411 μg mL−1. The recovery was between 87.2–95.43%, the relative standard deviation (%RSD) was 2.40–3.31% and the molar absorptivity was 3.545 × 103 L mol−1 cm−1. Secondly, cloud point extraction (CPE) was used to determ

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