Search results for: absorption spectra
1410 Characterization of Inkjet-Printed Carbon Nanotube Electrode Patterns on Cotton Fabric
Authors: N. Najafi, Laleh Maleknia , M. E. Olya
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An aqueous conductive ink of single-walled carbon nanotubes for inkjet printing was formulated. To prepare the homogeneous SWCNT ink in a size small enough not to block a commercial inkjet printer nozzle, we used a kinetic ball-milling process to disperse the SWCNTs in an aqueous suspension. When a patterned electrode was overlaid by repeated inkjet printings of the ink on various types of fabric, the fabric resistance decreased rapidly following a power law, reaching approximately 760 X/sq, which is the lowest value ever for a dozen printings. The Raman and Fourier transform infrared spectra revealed that the oxidation of the SWCNTs was the source of the doped impurities. This study proved also that the droplet ejection velocity can have an impact on the CNT distribution and consequently on the electrical performances of the ink.Keywords: ink-jet printing, carbon nanotube, fabric ink, cotton fabric, raman spectroscopy, fourier transform infrared spectroscopy, dozen printings
Procedia PDF Downloads 4231409 X-Ray Fluorescence Molecular Imaging with Improved Sensitivity for Biomedical Applications
Authors: Guohua Cao, Xu Dong
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X-ray Fluorescence Molecular Imaging (XFMI) holds great promise as a low-cost molecular imaging modality for biomedical applications with high chemical sensitivity. However, for in vivo biomedical applications, a key technical bottleneck is the relatively low chemical sensitivity of XFMI, especially at a reasonably low radiation dose. In laboratory x-ray source based XFMI, one of the main factors that limits the chemical sensitivity of XFMI is the scattered x-rays. We will present our latest findings on improving the chemical sensitivity of XFMI using excitation beam spectrum optimization. XFMI imaging experiments on two mouse-sized phantoms were conducted at three different excitation beam spectra. Our results show that the minimum detectable concentration (MDC) of iodine can be readily increased by five times via excitation spectrum optimization. Findings from this investigation could find use for in vivo pre-clinical small-animal XFMI in the future.Keywords: molecular imaging, X-ray fluorescence, chemical sensitivity, X-ray scattering
Procedia PDF Downloads 1861408 Seismic Response of Reinforced Concrete Buildings: Field Challenges and Simplified Code Formulas
Authors: Michel Soto Chalhoub
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Building code-related literature provides recommendations on normalizing approaches to the calculation of the dynamic properties of structures. Most building codes make a distinction among types of structural systems, construction material, and configuration through a numerical coefficient in the expression for the fundamental period. The period is then used in normalized response spectra to compute base shear. The typical parameter used in simplified code formulas for the fundamental period is overall building height raised to a power determined from analytical and experimental results. However, reinforced concrete buildings which constitute the majority of built space in less developed countries pose additional challenges to the ones built with homogeneous material such as steel, or with concrete under stricter quality control. In the present paper, the particularities of reinforced concrete buildings are explored and related to current methods of equivalent static analysis. A comparative study is presented between the Uniform Building Code, commonly used for buildings within and outside the USA, and data from the Middle East used to model 151 reinforced concrete buildings of varying number of bays, number of floors, overall building height, and individual story height. The fundamental period was calculated using eigenvalue matrix computation. The results were also used in a separate regression analysis where the computed period serves as dependent variable, while five building properties serve as independent variables. The statistical analysis shed light on important parameters that simplified code formulas need to account for including individual story height, overall building height, floor plan, number of bays, and concrete properties. Such inclusions are important for reinforced concrete buildings of special conditions due to the level of concrete damage, aging, or materials quality control during construction. Overall results of the present analysis show that simplified code formulas for fundamental period and base shear may be applied but they require revisions to account for multiple parameters. The conclusion above is confirmed by the analytical model where fundamental periods were computed using numerical techniques and eigenvalue solutions. This recommendation is particularly relevant to code upgrades in less developed countries where it is customary to adopt, and mildly adapt international codes. We also note the necessity of further research using empirical data from buildings in Lebanon that were subjected to severe damage due to impulse loading or accelerated aging. However, we excluded this study from the present paper and left it for future research as it has its own peculiarities and requires a different type of analysis.Keywords: seismic behaviour, reinforced concrete, simplified code formulas, equivalent static analysis, base shear, response spectra
Procedia PDF Downloads 2321407 Relativistic Energy Analysis for Some q Deformed Shape Invariant Potentials in D Dimensions Using SUSYQM Approach
Authors: A. Suparmi, C. Cari, M. Yunianto, B. N. Pratiwi
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D-dimensional Dirac equations of q-deformed shape invariant potentials were solved using supersymmetric quantum mechanics (SUSY QM) in the case of exact spin symmetry. The D dimensional radial Dirac equation for shape invariant potential reduces to one-dimensional Schrodinger type equation by an appropriate variable and parameter change. The relativistic energy spectra were analyzed by using SUSY QM and shape invariant properties from radial D dimensional Dirac equation that have reduced to one dimensional Schrodinger type equation. The SUSY operator was used to generate the D dimensional relativistic radial wave functions, the relativistic energy equation reduced to the non-relativistic energy in the non-relativistic limit.Keywords: D-dimensional dirac equation, non-central potential, SUSY QM, radial wave function
Procedia PDF Downloads 3451406 Fracture Toughness Properties and FTIR Analysis of Corn Fiber Green Composites
Authors: Ahmed Hashim, Aseel Abdullah
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In this work, the fracture toughness of new green composite based on bio-PMMA resin reinforced with randomly short corn natural fiber of constant weight fraction by 10% wt was investigated. The corn fiber surface was modified by mercerization treatment with two different concentrations of sodium hydroxide (3, and 5% NaOH) for 1.5 and 3 hours respectively. The effect of mercerization treatment on the fracture behavior of the green composites was analyzed by FTIR spectra. NaOH concentration of 3% for 1.5 hrs. That was used for corn fiber green composite should the highest improvement in terms of plane strain fracture toughness KIC which increased by 62 % compared to untreated fiber composite material. On the other hand, increased both concentrations of alkali solution to 5% NaOH and time of soaking to 3 hrs. reduced the values of KIC lower than the value of the unfilled material.Keywords: green composites, fracture toughness, corn natural fiber, bio-PMMA
Procedia PDF Downloads 4271405 Graphene-Graphene Oxide Dopping Effect on the Mechanical Properties of Polyamide Composites
Authors: Daniel Sava, Dragos Gudovan, Iulia Alexandra Gudovan, Ioana Ardelean, Maria Sonmez, Denisa Ficai, Laurentia Alexandrescu, Ecaterina Andronescu
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Graphene and graphene oxide have been intensively studied due to the very good properties, which are intrinsic to the material or come from the easy doping of those with other functional groups. Graphene and graphene oxide have known a broad band of useful applications, in electronic devices, drug delivery systems, medical devices, sensors and opto-electronics, coating materials, sorbents of different agents for environmental applications, etc. The board range of applications does not come only from the use of graphene or graphene oxide alone, or by its prior functionalization with different moieties, but also it is a building block and an important component in many composite devices, its addition coming with new functionalities on the final composite or strengthening the ones that are already existent on the parent product. An attempt to improve the mechanical properties of polyamide elastomers by compounding with graphene oxide in the parent polymer composition was attempted. The addition of the graphene oxide contributes to the properties of the final product, improving the hardness and aging resistance. Graphene oxide has a lower hardness and textile strength, and if the amount of graphene oxide in the final product is not correctly estimated, it can lead to mechanical properties which are comparable to the starting material or even worse, the graphene oxide agglomerates becoming a tearing point in the final material if the amount added is too high (in a value greater than 3% towards the parent material measured in mass percentages). Two different types of tests were done on the obtained materials, the hardness standard test and the tensile strength standard test, and they were made on the obtained materials before and after the aging process. For the aging process, an accelerated aging was used in order to simulate the effect of natural aging over a long period of time. The accelerated aging was made in extreme heat. For all materials, FT-IR spectra were recorded using FT-IR spectroscopy. From the FT-IR spectra only the bands corresponding to the polyamide were intense, while the characteristic bands for graphene oxide were very small in comparison due to the very small amounts introduced in the final composite along with the low absorptivity of the graphene backbone and limited number of functional groups. In conclusion, some compositions showed very promising results, both in tensile strength test and in hardness tests. The best ratio of graphene to elastomer was between 0.6 and 0.8%, this addition extending the life of the product. Acknowledgements: The present work was possible due to the EU-funding grant POSCCE-A2O2.2.1-2013-1, Project No. 638/12.03.2014, code SMIS-CSNR 48652. The financial contribution received from the national project ‘New nanostructured polymeric composites for centre pivot liners, centre plate and other components for the railway industry (RONERANANOSTRUCT)’, No: 18 PTE (PN-III-P2-2.1-PTE-2016-0146) is also acknowledged.Keywords: graphene, graphene oxide, mechanical properties, dopping effect
Procedia PDF Downloads 3151404 Seismic Performance Evaluation of Bridge Structures Using 3D Finite Element Methods in South Korea
Authors: Woo Young Jung, Bu Seog Ju
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This study described the seismic performance evaluation of bridge structures, located near Daegu metropolitan city in Korea. The structural design code or regulatory guidelines is focusing on the protection of brittle failure or collapse in bridges’ lifetime during an earthquake. This paper illustrated the procedure in terms of the safety evaluation of bridges using simple linear elastic 3D Finite Element (FE) model in ABAQUS platform. The design response spectra based on KBC 2009 were then developed, in order to understand the seismic behavior of bridge structures. Besides, the multiple directional earthquakes were applied and it revealed that the most dominated earthquake direction was transverse direction of the bridge. Also, the bridge structure under the compressive stress was more fragile than the tensile stress and the vertical direction of seismic ground motions was not significantly affected to the structural system.Keywords: seismic, bridge, FEM, evaluation, numerical analysis
Procedia PDF Downloads 3661403 Synthesis of Solid Polymeric Materials by Maghnite-H⁺ as a Green Catalyst
Authors: Draoua Zohra, Harrane Amine
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The Solid Polymeric Materials have been successfully prepared by the copolymerization of e-caprolactone (CL) and poly (ethylene glycol) (PEG) employing Maghnite-H+ at 80°C. Maghnite-H+ is a solid catalyst non-toxic. The presence of PEG chains leads to a break in the growth of PCL chains and consequently leads to the copolymer tri-block PCL-PEG-PCL. The objective of this study was to synthesize and characterize of Solid Polymeric Materials. The highly hydrophilic nature of polyethylene glycol has sparked our interest in developing a Solid Polymeric based e-caprolactone and poly (ethylene glycol). PCL and PEG are biocompatible materials. Their ring-opening copolymerization using Maghnite H+ makes to the Solid Polymeric Materials. The morphology and structure of Solid polymeric Materials were characterized by ¹H and ¹³C-NMR spectra and Gel Permeation Chromatography (GPC). This paper developed the application of Maghnite-H+ as an efficient catalyst by an easy-to-handle procedure to get solid polymeric materials. A cationic mechanism for the copolymerization reaction was proposed.Keywords: block copolymers, maghnite, montmorillonite, poly(e-caprolactone)
Procedia PDF Downloads 1671402 Analysis on the Feasibility of Landsat 8 Imagery for Water Quality Parameters Assessment in an Oligotrophic Mediterranean Lake
Authors: V. Markogianni, D. Kalivas, G. Petropoulos, E. Dimitriou
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Lake water quality monitoring in combination with the use of earth observation products constitutes a major component in many water quality monitoring programs. Landsat 8 images of Trichonis Lake (Greece) acquired on 30/10/2013 and 30/08/2014 were used in order to explore the possibility of Landsat 8 to estimate water quality parameters and particularly CDOM absorption at specific wavelengths, chlorophyll-a and nutrient concentrations in this oligotrophic freshwater body, characterized by inexistent quantitative, temporal and spatial variability. Water samples have been collected at 22 different stations, on late August of 2014 and the satellite image of the same date was used to statistically correlate the in-situ measurements with various combinations of Landsat 8 bands in order to develop algorithms that best describe those relationships and calculate accurately the aforementioned water quality components. Optimal models were applied to the image of late October of 2013 and the validation of the results was conducted through their comparison with the respective available in-situ data of 2013. Initial results indicated the limited ability of the Landsat 8 sensor to accurately estimate water quality components in an oligotrophic waterbody. As resulted by the validation process, ammonium concentrations were proved to be the most accurately estimated component (R = 0.7), followed by chl-a concentration (R = 0.5) and the CDOM absorption at 420 nm (R = 0.3). In-situ nitrate, nitrite, phosphate and total nitrogen concentrations of 2014 were measured as lower than the detection limit of the instrument used, hence no statistical elaboration was conducted. On the other hand, multiple linear regression among reflectance measures and total phosphorus concentrations resulted in low and statistical insignificant correlations. Our results were concurrent with other studies in international literature, indicating that estimations for eutrophic and mesotrophic lakes are more accurate than oligotrophic, owing to the lack of suspended particles that are detectable by satellite sensors. Nevertheless, although those predictive models, developed and applied to Trichonis oligotrophic lake are less accurate, may still be useful indicators of its water quality deterioration.Keywords: landsat 8, oligotrophic lake, remote sensing, water quality
Procedia PDF Downloads 3971401 Evaluation of the Adsorption Adaptability of Activated Carbon Using Dispersion Force
Authors: Masao Fujisawa, Hirohito Ikeda, Tomonori Ohata, Miho Yukawa, Hatsumi Aki, Takayoshi Kimura
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We attempted to predict adsorption coefficients by utilizing dispersion energies. We performed liquid-phase free energy calculations based on gas-phase geometries of organic compounds using the DFT and studied the relationship between the adsorption of organic compounds by activated carbon and dispersion energies of the organic compounds. A linear correlation between absorption coefficients and dispersion energies was observed.Keywords: activated carbon, adsorption, prediction, dispersion energy
Procedia PDF Downloads 2341400 Multivariate Analysis of Spectroscopic Data for Agriculture Applications
Authors: Asmaa M. Hussein, Amr Wassal, Ahmed Farouk Al-Sadek, A. F. Abd El-Rahman
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In this study, a multivariate analysis of potato spectroscopic data was presented to detect the presence of brown rot disease or not. Near-Infrared (NIR) spectroscopy (1,350-2,500 nm) combined with multivariate analysis was used as a rapid, non-destructive technique for the detection of brown rot disease in potatoes. Spectral measurements were performed in 565 samples, which were chosen randomly at the infection place in the potato slice. In this study, 254 infected and 311 uninfected (brown rot-free) samples were analyzed using different advanced statistical analysis techniques. The discrimination performance of different multivariate analysis techniques, including classification, pre-processing, and dimension reduction, were compared. Applying a random forest algorithm classifier with different pre-processing techniques to raw spectra had the best performance as the total classification accuracy of 98.7% was achieved in discriminating infected potatoes from control.Keywords: Brown rot disease, NIR spectroscopy, potato, random forest
Procedia PDF Downloads 1901399 Effect of Temperature on the Structural and Optical Properties of ZnS Thin Films Obtained by Chemical Bath Deposition in Acidic Medium
Authors: Hamid Merzouk, Dajhida Talantikite, Amel Tounsi
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Thin films of ZnS have been deposited by chemical route into acidic medium. The deposition time fixed at 5 hours, and the bath temperature varied from 80° C to 95°C with an interval of 5°C. The X-ray diffraction (XRD), UV/ visible spectrophotometry, Fourier Transform Infrared spectroscopy (FTIR) have been used to study the effect of temperature on the structural and optical properties of ZnS thin films. The XRD spectrum of the ZnS layer obtained shows an increase of peaks intensity of ZnS with increasing bath temperature. The study of optical properties exhibit good transmittance (60–80% in the visible region), and the band gap energy of the ZnS thin film decrease from 3.71 eV to 3.64 eV while the refractive index (n) increase with increasing temperature bath. The FTIR analyze confirm our studies and show characteristics bands of vibration of Zn-S.Keywords: ZnS thin films, XRD spectra, optical gap, XRD
Procedia PDF Downloads 1551398 Thiourea Modified Cadmium Sulfide Film for Solar Cell Application
Authors: Rupali Mane
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Cadmium sulfide (Cds) thin films were chemically deposited at room temperature, from aqueous ammonia solution using CdCl₂ (Cadmium chloride) as a Cd²⁺ and CS(NH₂)₂ (Thiourea) as S² ion sources. ‘as-deposited’ films were uniform, well adherent to the glass substrate, secularly reflective and yellowish in color. The ‘as-deposited ’Cds layers grew with nano-crystalline in nature and exhibit cubic structure, with blue-shift in optical band gap. The films were annealed in air atmosphere for two hours at different temperatures and further characterized for compositional, structural, morphological and optical properties. The XRD and SEM studies clearly revealed the systematic changes in morphological and structural form of Cds films with an improvement in the crystal quality. The annealed films showed ‘red-shift’ in the optical spectra after thermal treatment. The Thiourea modified CdS film could be good to provide solar cell application.Keywords: cadmium sulfide, thin films, nano-crystalline, XRD
Procedia PDF Downloads 3431397 Design, Spectroscopic, Structural Characterization, and Biological Studies for New Complexes via Charge Transfer Interaction of Ciprofloxacin Drug With π Acceptors
Authors: Khaled Alshammari
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Ciprofloxacin (CIP) is a common antibiotic drug used as a strudy electron donor that interacts with dynamic π -acceptors such as 2,3-dinitrosalsylic acid (HDNS) and Tetracyanoethylene (TCNE) for synthesizing a new model of charge transfer (CT) complexes. The synthesized complexes were identified using diverse analytical methods such as UV–vis spectra, photometric titration measurements, FT-IR, HNMR Spectroscopy, and thermogravimetric analysis techniques (TGA/DTA). The stoichiometries for all the formed complexes were found to be a 1:1 M ratio between the reactants. The characteristic spectroscopic properties such as transition dipole moment (µ), oscillator strength (f), formation constant (KCT), ionization potential (ID), standard free energy (∆G), and energy of interaction (ECT) for the CT-complexes were collected. The developed CT complexes were tested for their toxicity on main organs, antimicrobial activity, antioxidant activity, and biofilm formation.Keywords: biological, biofilm, toxicity, thermal analysis, charge transfer, spectroscopy
Procedia PDF Downloads 571396 Assessment of the Energy Balance Method in the Case of Masonry Domes
Authors: M. M. Sadeghi, S. Vahdani
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Masonry dome structures had been widely used for covering large spans in the past. The seismic assessment of these historical structures is very complicated due to the nonlinear behavior of the material, their rigidness, and special stability configuration. The assessment method based on energy balance concept, as well as the standard pushover analysis, is used to evaluate the effectiveness of these methods in the case of masonry dome structures. The Soltanieh dome building is used as an example to which two methods are applied. The performance points are given from superimposing the capacity, and demand curves in Acceleration Displacement Response Spectra (ADRS) and energy coordination are compared with the nonlinear time history analysis as the exact result. The results show a good agreement between the dynamic analysis and the energy balance method, but standard pushover method does not provide an acceptable estimation.Keywords: energy balance method, pushover analysis, time history analysis, masonry dome
Procedia PDF Downloads 2811395 Evaluation of Surface Water and Groundwater Quality in Parts of Umunneochi Southeast, Nigeria
Authors: Joshua Chima Chizoba, Wisdom Izuchukwu Uzoma, Elizabeth Ifeyiwa Okoyeh
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Water cannot be optimally used and sustained unless the quality is periodically assessed. The study area Umunneochi and environs are located in south eastern part of Nigeria. It stretches geographically from latitudes 50501N to 60000N and longitudes 70201E to 70301. The major geologic formations in the area include the Asu River group, Nkporo Shale, and Ajali Sandstone. The aim of this study is to evaluate the hydrochemical characteristics of surface and ground water sources in parts of Umunneochi and environs in order to establish portability of the water sources for drinking, domestic and irrigation purposes. A total of 15 samples were collected randomly from streams, springs and wells. The samples were analyzed for physicochemical parameters and heavy metals using handheld digital kits, photometer, titration method and Atomic Absorption Spectrophotometer (AAS) following acceptable standards. The obtained analytical data were interpreted, and results were compared with World Health Organization (WHO) standard. The concentration of pH, SO42-and Cl- range from 5.81 mg/l – 6.07 mg/l, 41.93 mg/l – 142.95 mg/l and 20.00 mg/l – 111 mg/l respectively, while Pb and Zn revealed a relative low mean concentration of 0.14 mg/l and 0.40 mg/l, which are all within (WHO) permissible limits except pH. About 27% of the samples are moderately hard. This is attributed to the mining activities in the areas. The abundance of cations and anions in the area are in the order of K+>Na+>Mg2+>Ca2+ and SO4->Cl->HCO3->NO3-, respectively. Chloride, bicarbonate, and nitrate are all within the permissible limits. 13.33% of the total samples contain Sulphate above the standard permissible limits. The values of calculated Water Quality Index (WQI) are less than 50 indicating excellent water. The predominant water-type in the study area is Na-Cl water type and mixed Ca-Mg-Cl water type based on the sample plots on the Piper diagram. The Sodium Absorption Ratio (SAR) calculations showed excellent water for consumption and also good water for irrigation purpose with low sodium and alkalinity ratio respectively. Government water projects are recommended in the area for sustainable domestic and agricultural water supply to ease the stress of water supply problems.Keywords: groundwater, hydrochemical, physichochemical, water-type, sodium adsorption ratio
Procedia PDF Downloads 1321394 Degeneracy and Defectiveness in Non-Hermitian Systems with Open Boundary
Authors: Yongxu Fu, Shaolong Wan
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We study the band degeneracy, defectiveness, as well as exceptional points of non-Hermitian systems and materials analytically. We elaborate on the energy bands, the band degeneracy, and the defectiveness of eigenstates under open boundary conditions based on developing a general theory of one-dimensional (1D) non-Hermitian systems. We research the presence of the exceptional points in a generalized non-Hermitian Su-Schrieffer-Heeger model under open boundary conditions. Beyond our general theory, there exist infernal points in 1D non-Hermitian systems, where the energy spectra under open boundary conditions converge on some discrete energy values. We study two 1D non-Hermitian models with the existence of infernal points. We generalize the infernal points to the infernal knots in four-dimensional non-Hermitian systems.Keywords: non-hermitian, degeneracy, defectiveness, exceptional points, infernal points
Procedia PDF Downloads 1321393 Resin Finishing of Cotton: Teaching and Learning Materials
Authors: C. W. Kan
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Cotton is the most commonly used material for apparel purpose because of its durability, good perspiration absorption characteristics, comfort during wear and dyeability. However, proneness to creasing and wrinkling give cotton garments a poor rating during actual wear. Resin finishing is a process to bring out crease or wrinkle free/resistant effect to cotton fabric. Thus, the aim of this study is to illustrate the proper application of resin finishing to cotton fabric, and the results could provide guidance note to the students in learning this topic. Acknowledgment: Authors would like to thank the financial support from the Hong Kong Polytechnic University for this work.Keywords: learning materials, resin, textiles, wrinkle
Procedia PDF Downloads 2561392 Two-Photon Ionization of Silver Clusters
Authors: V. Paployan, K. Madoyan, A. Melikyan, H. Minassian
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Resonant two-photon ionization (TPI) is a valuable technique for the study of clusters due to its ultrahigh sensitivity. The comparison of the observed TPI spectra with results of calculations allows to deduce important information on the shape, rotational and vibrational temperatures of the clusters with high accuracy. In this communication we calculate the TPI cross-section for pump-probe scheme in Ag neutral cluster. The pump photon energy is chosen to be close to the surface plasmon (SP) energy of cluster in dielectric media. Since the interband transition energy in Ag exceeds the SP resonance energy, the main contribution into the TPI comes from the latter. The calculations are performed by separating the coordinates of electrons corresponding to the collective oscillations and the individual motion that allows to take into account the resonance contribution of excited SP oscillations. It is shown that the ionization cross section increases by two orders of magnitude if the energy of the pump photon matches the surface plasmon energy in the cluster.Keywords: resonance enhancement, silver clusters, surface plasmon, two-photon ionization
Procedia PDF Downloads 4271391 Molecular Insights into the 5α-Reductase Inhibitors: Quantitative Structure Activity Relationship, Pre-Absorption, Distribution, Metabolism, and Excretion and Docking Studies
Authors: Richa Dhingra, Monika, Manav Malhotra, Tilak Raj Bhardwaj, Neelima Dhingra
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5-Alpha-reductases (5AR), a membrane bound, NADPH dependent enzyme and convert male hormone testosterone (T) into more potent androgen dihydrotestosterone (DHT). DHT is the required for the development and function of male sex organs, but its overproduction has been found to be associated with physiological conditions like Benign Prostatic Hyperplasia (BPH). Thus the inhibition of 5ARs could be a key target for the treatment of BPH. In present study, 2D and 3D Quantitative Structure Activity Relationship (QSAR) pharmacophore models have been generated for 5AR based on known inhibitory concentration (IC₅₀) values with extensive validations. The four featured 2D pharmacophore based PLS model correlated the topological interactions (–OH group connected with one single bond) (SsOHE-index); semi-empirical (Quadrupole2) and physicochemical descriptors (Mol. wt, Bromines Count, Chlorines Count) with 5AR inhibitory activity, and has the highest correlation coefficient (r² = 0.98, q² =0.84; F = 57.87, pred r² = 0.88). Internal and external validation was carried out using test and proposed set of compounds. The contribution plot of electrostatic field effects and steric interactions generated by 3D-QSAR showed interesting results in terms of internal and external predictability. The well validated 2D Partial Least Squares (PLS) and 3D k-nearest neighbour (kNN) models were used to search novel 5AR inhibitors with different chemical scaffold. To gain more insights into the molecular mechanism of action of these steroidal derivatives, molecular docking and in silico absorption, distribution, metabolism, and excretion (ADME) studies were also performed. Studies have revealed the hydrophobic and hydrogen bonding of the ligand with residues Alanine (ALA) 63A, Threonine (THR) 60A, and Arginine (ARG) 456A of 4AT0 protein at the hinge region. The results of QSAR, molecular docking, in silico ADME studies provide guideline and mechanistic scope for the identification of more potent 5-Alpha-reductase inhibitors (5ARI).Keywords: 5α-reductase inhibitor, benign prostatic hyperplasia, ligands, molecular docking, QSAR
Procedia PDF Downloads 1631390 Dendrimer-Encapsulated N, Pt Co-Doped TiO₂ for the Photodegration of Contaminated Wastewater
Authors: S. K. M. Nzaba, H. H. Nyoni, B. Ntsendwana, B. B. Mamba, A. T. Kuvarega
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Azo dye effluents, released into water bodies are not only toxic to the ecosystem but also pose a serious impact on human health due to the carcinogenic and mutagenic effects of the compounds present in the dye discharge. Conventional water treatment methods such as adsorption, flocculation/coagulation and biological processes are not effective in completely removing most of the dyes and their natural degradation by-products. Advanced oxidation processes (AOPs) have proven to be effective technologies for complete mineralization of these recalcitrant pollutants. Therefore, there is a need for new technology that can solve the problem. Thus, this study examined the photocatalytic degradation of an azo dye brilliant black (BB) using non-metal/metal codoped TiO₂. N, Pt co-doped TiO₂ photocatalysts were prepared by a modified sol-gel method using amine-terminated polyamidoamine dendrimer generation 0 (PAMAM G0), amine-terminated polyamidoamine dendrimer generation 1 ( PAMAM G1) and hyperbranched polyethyleneimine (HPEI) as templates and source of nitrogen. Structural, morphological, and textural properties were evaluated using scanning electron microscopy coupled to energy dispersive X-ray spectroscopy (SEM/EDX), high-resolution transmission electron microscopy (HRTEM), X-ray diffraction spectroscopy (XRD), X-ray photoelectron spectroscopy (XPS), thermal gravimetric analysis (TGA), Fourier- transform infrared (FTIR), Raman spectroscopy (RS), photoluminescence (PL) and ultra-violet /visible spectroscopy (UV-Vis). The synthesized photocatalysts exhibited lower band gap energies as compared to the Degussa P-25 revealing a red shift in band gap towards the visible light absorption region. Photocatalytic activity of N, Pt co-doped TiO₂ was measured by the reaction of photocatalytic degradation of brilliant black (BB) dye. The N, metal codoped TiO₂ containing 0.5 wt. % of the metal consisted mainly of the anatase phase as confirmed by XRD results of all three samples, with a particle size range of 13–30 nm. The particles were largely spherical and shifted the absorption edge well into the visible region. Band gap reduction was more pronounced for the N, Pt HPEI (Pt 0.5 wt. %) codoped TiO₂ compared to PAMAM G0 and PAMAM G1. Consequently, codoping led to an enhancement in the photocatalytic activity of the materials for the degradation of brilliant black (BB).Keywords: codoped TiO₂, dendrimer, photodegradation, wastewater
Procedia PDF Downloads 1741389 Theoretical and Experimental Study of Iron Oxide Thin Film
Authors: Fahima Djefaflia, M. Loutfi Benkhedir
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The aim of this work was to development and characterisation of iron oxide thin films by spray pyrolysis technique. Influences of deposition parameters pile temperature on structural and optical properties have been studied Thin films are analysed by various techniques of materials. The structural characterization of films by analysis of spectra of X-ray diffraction showed that the films prepared at T=350,400,450 are crystalline and amorphous at T=300C. For particular condition, two phases hematiteFe2O3 and magnetite Fe3O4 have been observed.The UV-Visible spectrophotometer of this films confirms that it is possible to obtain films with a transmittance of about 15-30% in the visible range. In addition, this analysis allowed us to determine the optical gap and disorder of films. We conclude that the increase in temperature is accompanied by a reduction in the optical gap with increasing in disorder. An ab initio calculation for this phase shows that the results are in good agreement with the experimental results.Keywords: spray pyrolysis technique, iron oxide, ab initio calculation, optical properties
Procedia PDF Downloads 5581388 Preparation, Characterization and Ionic Conductivity of (1‒x) (CdI2‒Ag2CrO4)‒(x) Al2O3 Composite Solid Electrolytes
Authors: Rafiuddin
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Composite solid electrolyte of the salt and oxide type is an effective approach to improve the ionic conductivity in low and intermediate temperature regions. The conductivity enhancement in the composites occurs via interfaces. Because of their high ionic conduction, composite electrolytes have wide applications in different electrochemical devices such as solid-state batteries, solid oxide fuel cells, and electrochemical cells. In this work, a series of novel (1‒x) (CdI2‒Ag2CrO4)‒xAl2O3 composite solid electrolytes has been synthesized. The prepared materials were characterized by X‒ray diffraction, differential thermal analysis, and AC impedance spectroscopy. The impedance spectra show single semicircle representing the simultaneous contribution of grain and grain boundary. The conductivity increased with the increase of Al2O3 content and shows the maximum conductivity (σ= 0.0012 S cm‒1) for 30% of Al2O3 content at 30 ℃.Keywords: composite solid electrolyte, X-ray diffraction, Impedance spectroscopy, ionic conductivity
Procedia PDF Downloads 4051387 Sol-Gel Synthesis and Photoluminescent Properties of YPO4: Pr3+ Nanophosphors
Authors: Badis Kahouadji, Lakhdar Guerbous, Lyes Lamiri
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For many years, the luminescent materials were investigated principally in the infrared and visible areas, because the ultraviolet (UV) and especially in vacuum Ultraviolet (VUV) are technically more difficult to explore, especially absence of applications requiring of materials suitable to short wavelengths.Recent necessary, related to the development of certain technologies, encouraged research in these spectra domains. It is in this context that the 4Fn-4Fn-1 5d transitions of rare earth in insulating materials, lying in the UV and VUV, are the aim of large number of studies. These studies relate in particular to search for new scintillator materials used for spectroscopy and X-ray, ɤ, as well as medical imaging. The 4Fn- 4Fn-15d transitions of the rare earth dependent to the host-matrix, several matrices ions were used to study these transitions, in this work we are suggeting to study on a very specific class of inorganic scintillators that are orthophosphate doped with rare earth ions, this study focused on the Pr3+ concentration on the structural and optical properties of Pr3+ doped YPO4 (yttriumorthophosphate) with powder form prepared by the Sol Gel method.Keywords: rare earth, scintillator, YPO4:Pr3+ nanophosphors, sol gel, 4Fn-4Fn-15d transitions
Procedia PDF Downloads 6031386 Identification of the Best Blend Composition of Natural Rubber-High Density Polyethylene Blends for Roofing Applications
Authors: W. V. W. H. Wickramaarachchi, S. Walpalage, S. M. Egodage
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Thermoplastic elastomer (TPE) is a multifunctional polymeric material which possesses a combination of excellent properties of parent materials. Basically, TPE has a rubber phase and a thermoplastic phase which gives processability as thermoplastics. When the rubber phase is partially or fully crosslinked in the thermoplastic matrix, TPE is called as thermoplastic elastomer vulcanizate (TPV). If the rubber phase is non-crosslinked, it is called as thermoplastic elastomer olefin (TPO). Nowadays TPEs are introduced into the commercial market with different products. However, the application of TPE as a roofing material is limited. Out of the commercially available roofing products from different materials, only single ply roofing membranes and plastic roofing sheets are produced from rubbers and plastics. Natural rubber (NR) and high density polyethylene (HDPE) are used in various industrial applications individually with some drawbacks. Therefore, this study was focused to develop both TPO and TPV blends from NR and HDPE at different compositions and then to identify the best blend composition to use as a roofing material. A series of blends by varying NR loading from 10 wt% to 50 wt%, at 10 wt% intervals, were prepared using a twin screw extruder. Dicumyl peroxide was used as a crosslinker for TPV. The standard properties for a roofing material like tensile properties tear strength, hardness, impact strength, water absorption, swell/gel analysis and thermal characteristics of the blends were investigated. Change of tensile strength after exposing to UV radiation was also studied. Tensile strength, hardness, tear strength, melting temperature and gel content of TPVs show higher values compared to TPOs at every loading studied, while water absorption and swelling index show lower values, suggesting TPVs are more suitable than TPOs for roofing applications. Most of the optimum properties were shown at 10/90 (NR/HDPE) composition. However, high impact strength and gel content were shown at 20/80 (NR/HDPE) composition. Impact strength, as being an energy absorbing property, is the most important for a roofing material in order to resist impact loads. Therefore, 20/80 (NR/HDPE) is identified as the best blend composition. UV resistance and other properties required for a roofing material could be achieved by incorporating suitable additives to TPVs.Keywords: thermoplastic elastomer, natural rubber, high density polyethylene, roofing material
Procedia PDF Downloads 1271385 Investigations on Microstructural and Raman Scattering Properties of B2O3 Doped Ba(Ti1-xZrx)O3 Nanoceramics
Authors: Keri̇m Emre Öksüz, Şaduman Şen, Uğur Şen
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0.5 wt. % B2O3–doped Ba (Ti1-xZrx) O3, (x=0-0.4) lead-free nanoceramics were synthesized using the solid-state reaction method by adopting the ball milling technique. The influence of the substitution content on crystallographic structure, phase transition, microstructure and sintering behaviour of BT and BZT ceramics were investigated. XRD analysis at room temperature revealed a structural transformation from tetragonal to rhombohedral with enhancement of ZrO2 content in the barium titanate matrix. The scanning electron microscope (SEM) and energy-dispersive X-ray spectroscopy (EDS) were used to investigate microstructure and surface morphology of the sintered samples. The evolution of the Raman spectra was studied for various compositions, and the spectroscopic signature of the corresponding phase was determined. Scanning Electron Microscope (SEM) observations revealed enhanced microstructural uniformity and retarded grain growth with increasing Zr content.Keywords: BaTiO3, barium-titanate-zirconate, nanoceramics, raman spectroscopy
Procedia PDF Downloads 3431384 Optical and Magnetic Properties of Ferromagnetic Co-Ni Co-Doped TiO2 Thin Films
Authors: Rabah Bensaha, Badreddine Toubal
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We investigate the structural, optical and magnetic properties of TiO2, Co-doped TiO2, Ni-doped TiO2 and Co-Ni co-doped TiO2 thin films prepared by the sol-gel dip coating method. Fully anatase phase was obtained by adding metal ions without any detectable impurity phase or oxide formed. AFM and SEM micrographs clearly confirm that the addition of Co-Ni affects the shape of anatase nanoparticles. The crystallite sizes and surface roughness of TiO2 films increase with Co-doping, Ni-doping and Co–Ni co-doping, respectively. The refractive index, thickness and optical band gap values of the films were obtained by means of optical transmittance spectra measurements. The band gap of TiO2 sample was decreased by Co-doping, Ni-doping and Co–Ni co-doping TiO2 films. Both undoped and Co-Ni co-doped films were found to be ferromagnetic at room temperature may due to the presence of oxygen vacancy defect and the probable formation of metal clusters Co-Ni.Keywords: Co-Ni co-doped, anatase TiO2, ferromagnetic, sol-gel method, thin films
Procedia PDF Downloads 4441383 Outstanding Lubricant Using Fluorographene as an Extreme Pressure Additive
Authors: Adriana Hernandez-Martinez, Edgar D. Ramon-Raygoza
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Currently, there has been a great interest, during the last years, on graphene due to its lubricant properties on friction and antiwear processes. Likewise, fluorographene has also been gaining renown due to its excellent chemical and physical properties which have been mostly applied in the electronics industry. Nevertheless, its tribological properties haven’t been analyzed thoroughly. In this paper, fluorographene was examined as an extreme pressure additive and the nano lubricant made with a cutting fluid and fluorographene in the range of 0.01-0.5% wt, which proved to withstand 53.78% more pounds than the conventional product and 7.12% more than the nano lubricant with graphene in a range between 0.01-0.5% wt. Said extreme pressure test was carried out with a Pin and Vee Block Tribometer following an ASTM D3233A test. The fluorographene used has a low C/F ratio, which reflects a greater presence of atomic fluorine and its low oxygen percentage, supports the substitution of oxygen-containing groups by fluorine. XPS Spectra shows high atomic fluorine content of 56.12%, and SEM analysis details the formation of long and clear crystalline structures, in the fluorographene used.Keywords: extreme pressure additive, fluorographene, nanofluids, nanolubricant
Procedia PDF Downloads 1261382 A Bio-Inspired Approach to Produce Wettable Nylon Fabrics
Authors: Sujani B. Y. Abeywardena, Srimala Perera, K. M. Nalin De Silva, S. Walpalage
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Surface modifications are vital to accomplish the moisture management property in highly demanded synthetic fabrics. Biomimetic and bio-inspired surface modifications are identified as one of the fascinating areas of research. In this study, nature’s way of cooling elephants’ body temperature using mud bathing was mimicked to create a superior wettable nylon fabric with improved comfortability. For that, bentonite nanoclay was covalently grafted on nylon fabric using silane as a coupling agent. Fourier transform infrared spectra and Scanning electron microscopy images confirmed the successful grafting of nanoclay on nylon. The superior wettability of surface modified nylon was proved by standard protocols. This fabric coating strongly withstands more than 50 cycles of laundry. It is expected that this bio-inspired wettable nylon fabric may break the barrier of using nylon in various hydrophilic textile applications.Keywords: bentonite nanoclay, biomimetic, covalent modification, nylon fabric, surface, wettability
Procedia PDF Downloads 2011381 Effect of Operating Conditions on the Process Hydrogen Storage in Metal Hydride
Authors: A. Babou, Y. Kerboua Ziari, Y. Kerkoub
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The risks of depletion of fossil fuel reserves and environmental problems caused by their consumption cause to consider alternative energy solutions. Hydrogen appears as a serious solution because its combustion produces only water. The objective of this study is to digitally analyze the effect of operating conditions on the process of absorption of hydrogen in a tank of metal hydride alloy Lanthanum - Nickel (LaNi 5). For this modeling of heat transfer and mass in the tank was carried .The results of numerical weather prediction are in good agreement with the experimental results.Keywords: hydrogen, storage, energy, fuel, simulation
Procedia PDF Downloads 306