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DESIGN, SYNTHESIS, DOCKING, ANTITUMOR SCREENING, AND ABSORPTION, DISTRIBUTION, METABOLISM, AND EXCRETION PREDICTION OF NEW HESPERDIN DERIVATIVE
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Objective: Hesperidin (HSP) is a pharmacologically active organic compound found in citrus fruits and peppermint. We synthesized a new HSP derivative by reacting it with 5-Amino-1,3,4-thiadiazole-2-thiol in acetic acid. Methods: This compound was characterized by Fourier-transform infrared, proton nuclear magnetic resonance, and electron impact mass spectra. A molecular docking study explores the predicted binding of the compound and its possible mode of action. Bioavailability, site of absorption, drug mimic, and topological polar surface was predicted using absorption, distribution, metabolism, and excretion (ADME) studies. Results: The docking study predicts that the new compound binds to the active sites of Aurora-B and the MST3 pocket and has good ADME properties. Moreover, the thiazole ring and the presence of the electron releasing groups and hydrogen bond interaction with amino acid residues within the active sites play an important role in enhancing the antioxidant activity. Conclusion: In the present study, a new HSP derivative has been synthesized and characterized successfully and a theoretically promising antioxidant and anticytotoxic active agent introduced. We have shown the detailed binding analysis of 1,3,4-thiadiazol and hydrogen bonds with the inhibitor binding cavity of Aurora B and MST3. This could provide the development of some effective compounds against different diseases.

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Publication Date
Wed Dec 13 2017
Journal Name
Al-khwarizmi Engineering Journal
Synthesis and Characterization of Nanocrystalline Zeolite Y
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Worldwide attention is being focused on  nanocrystalline  zeolites  and they are replacing conventional ones due to their pronounced potential in many fields. In this study, NaY zeolite has been prepared hydrothermally using sol –gel method and modified to the proton type by ion –exchange process. Characterization is made using X-ray diffraction (XRD), thermogravimetric analysis (TGA),  Fourier transform infrared spectroscopy (FTIR),  Atomic force microscopy (AFM), Brunauer –Emmet- Teller (BET) nitrogen adsorption method, Ammonia Temperature programmed desorption (NH3-TPD) and Scanning electron microscopy( SEM).  The effect of aging time, silica to alumina ratio is studied and the results sh

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Publication Date
Sun Mar 06 2016
Journal Name
Baghdad Science Journal
Synthesis and Characterization of 3 - Substituted Coumarin
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The reaction of(2-oxo-2H-chromen-3-Carbonyl chloride)(k1) with hydrazine in boiling ethanol gives the hydrazide(K2).When compound (k2) reacts with various aromatic aldehydes ,the corres ponding Schiff bases(k3–k4) achieve new series of thiazotidines (k5–k6) and azetidinones (k7–k8) obtained from the reactions of appropriate Schiff bases with mercapto acetic acid and chloro acetyl chloride respectively. All the compounds are characterized by FT-IR,1H-NMR and GC-Ms.

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Publication Date
Wed Jan 01 2025
Journal Name
Aip Conference Proceedings
Synthesis and characterization of ODAPW11O39 hybrid catalyst
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Publication Date
Sun Mar 01 2020
Journal Name
Baghdad Science Journal
Chemical Synthesis and Characterization of Conducting Polyaniline
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     The polyaniline powder was chemically manufactured by direct oxidation of aniline. The resulting polymer was characterized by the results of optical, measurements by (FT-IR) spectroscopy, we have detected some of the absorption peaks located at 3498, 2858 cm-1, which correspond N-H vibrations, and C-H expansion of the aromatic ring respectively as well as stretching vibrations of quinoid ring have been observed. Structural properties, such as the surface topography using an atomic force microscope (AFM), and Surface composition by (SEM) have been studied. The structure of some pellets of polyaniline powder have been examined by using analytical X-ray diffraction technique, the pattern of obse

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Publication Date
Wed May 01 2019
Journal Name
Research Journal Of Chemistry And Environment
Synthesis and Characterization of New Complexes of 2- (Benzo[d]Thiazol-2-ylAmino)-2-(5-Chloro-2-Hydroxy Phenyl) Acetonitrile Ligand with Some Divalent Transition Metal Ions
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A series of metal ion complexes of some divalent transition metal ions having the general composition [ML2Cl2]nH2O with 2-(benzo[d]thiazol-2-ylamino)-2- (5-chloro-2-hydroxy phenyl) acetonitrile ligand has been prepared from 5-chloro-2-hydroxy-benzaldehyde and benzo[d]thiazol-2-amine. Existence of cyanide as potassium cyanide in acidic medium was considered, characterized by elemental chemical analysis, conductance of molarity, magnetic susceptibility measurements, FTIR electronic spectral studies and mole ratio method. FTIR indicates the participation of amino and acetonitrile nitrogen which is coordinated with the central metal ion.

Publication Date
Mon Dec 18 2017
Journal Name
Al-khwarizmi Engineering Journal
Optimization and Prediction of Process Parameters in SPIF that Affecting on Surface Quality Using Simulated Annealing Algorithm
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Incremental sheet metal forming is a modern technique of sheet metal forming in which a uniform sheet is locally deformed during the progressive action of a forming tool. The tool movement is governed by a CNC milling machine. The tool locally deforms by this way the sheet with pure deformation stretching. In SPIF process, the research is concentrate on the development of predict models for estimate the product quality. Using simulated annealing algorithm (SAA), Surface quality in SPIF has been modeled. In the development of this predictive model, spindle speed, feed rate and step depth have been considered as model parameters. Maximum peak height (Rz) and Arithmetic mean surface roughness (Ra) are used as response parameter to assess th

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Publication Date
Thu May 01 2025
Journal Name
2025 3rd International Conference On Business Analytics For Technology And Security (icbats)
Comparison of Deep Neural Network Models (LSTM, Bi-LSTM, GRU and Bi-GRU) for Gold Price Prediction
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This research studies the comparison of deep neural network models and performance evaluation to predict the gold prices of time series, where the gold prices contain high fluctuations and non-linear patterns that are difficult to capture using traditional models, which makes predicting them a significant challenge. Therefore, the focus was on using deep learning models represented by (LSTM), (Bi-LSTM), (GRU) and (Bi-GRU). The results showed the superiority of the (Bi-GRU) model according to comparison criteria (MSE), (RMSE), (MAE), and (R∧2) compared to other models because it was able to understand the time patterns better by processing the data in both directions and provided superior performance, which indicates its effectiveness, eff

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Publication Date
Fri Dec 29 2017
Journal Name
Al-khwarizmi Engineering Journal
Design And Implementation of Microcontroller Based Curing Light Control of Dental System.
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In this paper, a microcontroller-based electronic circuit have been designed and implemented for dental curing system using 8-bit MCS-51 microcontroller. Also a new control card is designed while considering advantages of microcontroller systems the time of curing was controlled automatically by preset values which were input from a push-button switch. An ignition based on PWM technique was used to reduce the high starting current needed for the halogen lamp. This paper and through the test result will show a good performance of the proposed system.

 

 

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Publication Date
Sat Sep 01 2012
Journal Name
Journal Of Irrigation And Drainage Engineering
Hydraulic and Statistical Analyses of Design Emission Uniformity of Trickle Irrigation Systems
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Publication Date
Tue Mar 12 2019
Journal Name
Lubricants
Absorption Wavebands for Discriminating Oxidation Time of Engine Oil as Detected by FT-IR Spectroscopy
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Fourier Transform-Infrared (FT-IR) spectroscopy was used to analyze gasoline engine oil (SAE 5W20) samples that were exposed to seven different oxidation times (0 h, 24 h, 48 h, 72 h, 96 h, 120 h, and 144 h) to determine the best wavenumbers and wavenumber ranges for the discrimination of the oxidation times. The thermal oxidation process generated oil samples with varying total base number (TBN) levels. Each wavenumber (400–3900 cm−1) and wavenumber ranges identified from the literature and this study were statistically analyzed to determine which wavenumbers and wavenumber ranges could discriminate among all oxidation times. Linear regression was used with the best wavenumbers and wavenumber ranges to predict oxidation time.

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