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Detection of nitrotyrosine (Alzheimer's agent) by B24N24 nano cluster: A comparative DFT and QTAIM insight
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A nano-sensor for nitrotyrosine (NT) molecule was found by studying the interactions of NT molecule with new B24N24 nanocages. It was calculated using density functionals in this case. The predicted adsorption mechanisms included physical and chemical adsorption with the adsorption energy of −2.76 to −4.60 and −11.28 to −15.65 kcal mol−1, respectively. The findings show that an NT molecule greatly increases the electrical conductivity of a nanocage by creating electronic noise. Moreover, NT adsorption in the most stable complexes significantly affects the Fermi level and the work function. This means the B24N24 nanocage can detect NT as a Φ–type sensor. The recovery time was determined to be 0.3 s. The sensitivity of pure BN nanocages could be improved without additional expensive structural manipulations. After the NT had been absorbed into the nanocage, UV–Vis spectrum analysis revealed that the transmission wavelength shifted significantly toward 390.07 nm. Hence, a redshift occurs when the NT molecule gets near the B24N24 nanocage. According to the present study model, B24N24 nanocages are possibly promising devices for NT sensors based on their electronic and structural properties.

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Publication Date
Tue Jan 01 2013
Journal Name
International Journal Of Science And Technology (ijst)
Study of Optical and Structures for TiO2 prepared by Pulse Laser Deposition
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Publication Date
Wed Jun 27 2018
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Synthesis and Characterization of Iron Oxide Nanoparticles by Open Vessel Ageing Process
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Nano-crystalline iron oxide nanoparticles (magnetite) was synthesized by open vessel ageing process. The iron chloride solution was prepared by mixing deionized water and iron chloride tetrahydrate. The product was characterized by X-Ray, Surface area and pore volume by Brunauer-Emmet-Teller, Atomic Force Microscope (AFM) and Fourier Transform Infrared Spectroscopy(FTIR)  .  The results showed that the XRD in compatibility of the prepared iron oxide (magnetite) with the general  structure of standard iron oxide, and in Fourier Transform Infrared Spectroscopy, it is strong crests in 586 bands, because of  the expansion vibration manner related to the metal oxygen absorption band (Fe–O bonds in the crystals of iron ox

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Publication Date
Sat Dec 01 2018
Journal Name
Journal Of South Asian Federation Of Obstetrics And Gynaecology
Effect of Leptin Level in Pregnancy Complicated by Preeclampsia and Pregnancy Outcome
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Publication Date
Wed Apr 01 2015
Journal Name
Journal Of Engineering
Competitive Removal of Cu2+, Cd2+and Ni2+by Iron Oxide Nanoparticle (Fe3O4)
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A competitive adsorption of Cu2+, Ni2+, and Cd2+ ions from a synthetic wastewater onto nanomaterial was studied.(Fe3O4) nanoparticles obtained from US Research Nanomaterials, Inc., Houston, TX 77084, (USA), was used as nanosorbent. Experimental parameters included pH, initial metal concentrations, and temperature were studied for nanosorbent. The uptake capacity 11.5, 6.07 and 11.1 mg/g for Cu2+, Ni2+and Cd2+, respectively, onto nanosorbent . The optimum pH values was 6 and the contact time was 50 min. for Cu2+, Ni2+and Cd2+, respectively. The equilibrium isotherm for

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Publication Date
Sat Jan 01 2022
Journal Name
Technologies And Materials For Renewable Energy, Environment And Sustainability: Tmrees21gr
Simulation and evaluation of elliptical hyperboloid solar concentrator by using Zemax program
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Publication Date
Thu May 25 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Optical and Structural Properties of SnO2 Thin Films Prepared by Sputtering Method
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SnO2 thin films of different two thicknesses were prepared an glass substrate by DC magnetron sputtering. The crystal structure and orientation of the films were investigated by XRD patterns. All the deposited films are polycrystalline. The grain size was calculated as 25.35, 28.8 nm. Morphological and compositions of the films were performed by SEM and EDX analyses respectively. The films appeared compact and rougher surface in nature. The allowed direct band gap was evaluated as 3.85 eV, and other optical constants such as refractive index, extinction coefficient, real and imaginary parts of dielectric constants were determined from transmittance spectrum in the wavelength range (300-900) nm and also analyzed.
 

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Publication Date
Fri Jul 01 2022
Journal Name
Iraqi Journal Of Science
Preparation and Characterization of Nickel Oxide Thin Films by Electrostatic Spray Technique
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A simple, inexpensive, and home–built electrostatic spray deposition (ESD) system with stable cone-jet mode was used to obtain nickel oxide (NiO) thin films on glass substrates kept at temperature of 400°C. The primary precursor solution of 0.1 M concentration hydrated nickel chloride dissolved in isopropyl alcohol. The structural, optical and electrical parameters were studied. The optical absorbance spectra for the studied samples showed its maximum around 280 nm. On the other hand, thickness interferometry measurements on the tested samples showed that film thickness was around 400 nm. The optical energy gap of the prepared NiO samples was determined to be 3.75 eV and the maximum value of refractive index was determined to be 2.1 a

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Publication Date
Fri Feb 01 2019
Journal Name
Journal Of Physics: Conference Series
Spectroscopic and structural properties of Zinc-Phthalocyanine prepared by pulsed laser deposition
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Publication Date
Fri Jan 01 2021
Journal Name
Aip Conference Proceedings
Structural characterization of nickel and zinc aluminate prepared by sol-gel technique
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This work concerned on nanocrystalline NiAl2O4 and ZnAl2O4 having spinel structure prepared by Sol–gel technique. The structural and characterization properties for the obtained samples were examined using different measurements such as X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), finally, Field emission scanning electron microscope (FESEM).The Spinel-type for two prepared compound (NiAl2O4) and (ZnAl2O4) at different calcination temperature examined by XRD. Williamson-Hall Methods used to estimate crystallite size, Average distribution crystallite size of two compound were, 34.2 nm for NiAl2O4 and32.6 for ZnAl2O4, the increase in crystallite size affecting by increasing in calcination temperature for both comp

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Publication Date
Tue Sep 08 2020
Journal Name
Baghdad Science Journal
Turbid of Water By Using Fuzzy C- Means and Hard K- Means
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In this research two algorithms are applied, the first is Fuzzy C Means (FCM) algorithm and the second is hard K means (HKM) algorithm to know which of them is better than the others these two algorithms are applied on a set of data collected  from the Ministry of Planning on the water turbidity of five areas in Baghdad to know which of these areas are less turbid in clear water to see which months during the year are less turbid in clear water in the specified area.

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