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Study of the Transition State of SnO<sub>2</sub> Cluster with NO<sub>2</sub> Gas Molecule via Density Functional Theory
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Density functional theory (DFT) with B3LYP level and 6-311G[Formula: see text] basis sets for light atoms like N and O and SDD basis sets for heavy atoms like Sn is used to examine the interaction of tin dioxide nanocrystals with nitrogen dioxide as a function of temperature from 273[Formula: see text]K to 373[Formula: see text]K through a Gaussian 09W software program. Gibbs free energy, enthalpy, and entropy of activation and reaction are calculated. The situation of transition of SnO2 clusters toward nitrogen dioxide is investigated. According to the findings, the activation energy of SnO2 clusters with nitrogen dioxide increases as the temperature rises (in negative value). Gauss view 05 was used to investigate the geometrical structure of SnO2 cluster nanostructures and the nitrogen molecule. Spectroscopic analysis of the force constant, IR, Raman scattering and reduced masses as a function of frequencies had been investigated and compared to the experimental value of longitudinal optical (LO) modes of 690[Formula: see text]cm[Formula: see text] for SnO2 and 1600[Formula: see text]cm[Formula: see text] for NO2.

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Publication Date
Fri Dec 01 2023
Journal Name
Applied Energy
Deep clustering of Lagrangian trajectory for multi-task learning to energy saving in intelligent buildings using cooperative multi-agent
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The intelligent buildings provided various incentives to get highly inefficient energy-saving caused by the non-stationary building environments. In the presence of such dynamic excitation with higher levels of nonlinearity and coupling effect of temperature and humidity, the HVAC system transitions from underdamped to overdamped indoor conditions. This led to the promotion of highly inefficient energy use and fluctuating indoor thermal comfort. To address these concerns, this study develops a novel framework based on deep clustering of lagrangian trajectories for multi-task learning (DCLTML) and adding a pre-cooling coil in the air handling unit (AHU) to alleviate a coupling issue. The proposed DCLTML exhibits great overall control and is

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Publication Date
Fri Feb 10 2012
Journal Name
Molecules
Design, Synthesis and Preliminary Pharmacological Evaluation of New Non-Steroidal Anti-Inflammatory Agents Having a 4-(Methylsulfonyl) Aniline Pharmacophore
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A series of 4-(methylsulfonyl)aniline derivatives were synthesized in order to obtain new compounds as a potential anti-inflammatory agents with expected selectivity against COX-2 enzyme. In vivo acute anti-inflammatory activity of the final compounds 11–14 was evaluated in rat using an egg-white induced edema model of inflammation in a dose equivalent to 3 mg/Kg of diclofenac sodium. All tested compounds produced significant reduction of paw edema with respect to the effect of propylene glycol 50% v/v (control group). Moreover, the activity of compounds 11 and 14 was significantly higher than that of diclofenac sodium (at 3 mg/Kg) in the 120–300 minute time interval, while compound 12 expressed a comparable effect to that of di

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Publication Date
Sun Jan 01 2023
Journal Name
Materials Today: Proceedings
Preparation, characterization and preliminary cytotoxic evaluation of 6-mercaptopurine-coated biotinylated carbon dots nanoparticles as a drug delivery system
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Publication Date
Sat Jan 01 2022
Journal Name
Journal Of International Society Of Preventive And Community Dentistry
Investigating tensile bonding and other properties of yttrium oxide nanoparticles impregnated heat-cured soft-denture lining composite in vitro
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Aims: This study was conducted to assess the effect of the addition of yttrium oxide (Y2O3) nanoparticles on the tensile bond strength, tear strength, shore A hardness, and surface roughness of soft-denture lining material. Materials and Methods: Y2O3 NPs with 1.5 and 2 wt.% were added into acrylic-based heat-cured soft-denture liner. A total of 120 specimens were prepared and divided into four groups according to the test to be performed (tensile bond strength, tear strength, surface hardness, and surface roughness). Results: There was a highly significant increase in tensile bond strength between the soft liner and the acrylic denture base, tear strength, and hardness at both concentrations as compared to the control group, whereas ther

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Publication Date
Thu Feb 01 2024
Journal Name
Baghdad Science Journal
Estimating concentration of toxic ions Arsenic in water by using Photonic Crystal Fiber based on Surface Plasmon Resonance (SPR)
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In this work, an enhanced Photonic Crystal Fiber (PCF) based on Surface Plasmon Resonance (SPR) sensor using a sided polished structure for the detection of toxic ions Arsenic in water was designed and implemented. The SPR curve can be obtained by polishing the side of the PCF after coating the Au film on the side of the polished area, the SPR curve can be obtained. The proposed sensor has a clear SPR effect, according to the findings of the experiments. The estimated signal to Noise Ratio (SNR), sensitivity (S), resolution (R), and Figures of merit (FOM) are approaching; the SNR is 0.0125, S is 11.11 μm/RIU, the resolution is 1.8x〖10〗^(-4), and the FOM is 13.88 for Single-mode Fiber- Photonic Crystal Fiber- single mode Fiber (SMF-P

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Publication Date
Wed Aug 31 2022
Journal Name
Iraqi Journal Of Science
Distribution of dfrA1 and cat1 antibiotic resistance genes in uropathogenic Escherichia coli isolated from teens pregnant women in Iraq
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       The present study aims to detect the distribution of dfrA1 and cat1 antibiotic resistance genes among uropathogenic Escherichia coli (UPEC) in pregnant teen women and determine their susceptibility to common antibiotic uses. We collected urine (116) samples from patients in hospitals in Baghdad, Iraq. Isolation and identification of bacteria (culturing, biochemical test, and genetically by 16S rRNA gene), antibiotic susceptibility tests (eight antibiotics), and detection of the dfrA1 and cat1 resistance genes, and used SPSS program for statistically analyzing the results. The distributed UPEC in patients most than another causative agent in percentage (50%). It was highly resistan

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Publication Date
Sun Jan 30 2022
Journal Name
Iraqi Journal Of Science
Natural Radioactivity Evaluation and Radiological Peril in some soil specimens of Al-Taimeem Area in Al-Anbar Province, Iraq
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In the present work, the radioactivity of ten soil specimens has been measured, which were gathered from various sites from AL-Taimeem area in Al-Anbar province, The qualitative activity of natural radionuclides 238U, 232Th and 40K for soil specimens were evaluated by utilizing gamma-ray spectroscopy with NaI(Tl) detector of (3"×3") dimension. The results revealed that, the qualitative activity, for 238U was varied from (14.730 Bq/kg) to (28.070 Bq/kg), for 232Th was varied from (16.510 Bq/kg) to (29.480 Bq/kg), for 40K was varied from (143.820 Bq/kg) to (231.550 Bq/kg) ,with an average values of (21.152±2.98 Bq/kg) , (24.219±3.93 Bq/kg), (190.720±22.20 Bq/kg), success

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Publication Date
Mon Aug 26 2019
Journal Name
Iraqi Journal Of Science
Fabrication of TiO2 sensor using rapid breakdown anodization method to measure pressure, humidity and sense gases at room temperature
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Rapid breakdown anodization (RBA) process was used to fabricate TiO2 sensor to measure pressure and humidity and sense gases at room temperature. This chemical process transformed Ti to its oxide (TiO2) as a powder with amorphous phase as X ray diffraction (XRD) technique confirmed.  This oxide consisted from semi spherical nanoparticles and titania nanotubes (TNTs) as Scanning electron microscope (SEM) technique showed.  TiO2 powder was deposited on Ti substrates by using electrophoretic deposition (EPD) method.   Average pressure sensitivity was 0.34 MΩ/bar and hysteresis area was 1.4 MΩ .bar. Resistance of TiO2 decreased exponentially with the increasing of relative

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Publication Date
Tue May 07 2019
Journal Name
Proteomics
Proteomic Analysis of Stromal and Epithelial Cell Communications in Human Endometrial Cancer Using a Unique 3D Co‐Culture Model
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Abstract<p>Epithelial and stromal communications are essential for normal uterine functions and their dysregulation contributes to the pathogenesis of many diseases including infertility, endometriosis, and cancer. Although many studies have highlighted the advantages of culturing cells in 3D compared to the conventional 2D culture system, one of the major limitations of these systems is the lack of incorporation of cells from non‐epithelial lineages. In an effort to develop a culture system incorporating both stromal and epithelial cells, 3D endometrial cancer spheroids are developed by co‐culturing endometrial stromal cells with cancerous epithelial cells. The spheroids developed by this method are phenot</p> ... Show More
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Publication Date
Wed Feb 01 2023
Journal Name
Measurement: Sensors
Dynamic monitoring of saturated stiff clay soil foundation structure by falling weight deflectometer system under impact loads sensors effect
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Experiments research is done to determine how saturated stiff clayey soil responds to a single impulsive load. Models made of saturated, stiff clay were investigated. To supply the single pulse energy, various falling weights from various heights were tested using the falling weight deflectometer (FWD). Dynamic effects can range from the major failure of a sensitive sensor or system to the apparent destruction of structures. This study examines the response of saturated stiff clay soil to a single impulsive load (vertical displacement at the soil surface below and beside the bearing plates). Such reactions consist of displacements, velocities, and accelerations caused by the impact occurring at the surface depth induced by the impact loads

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