Search results for: X-ray photoelectron spectroscopy.
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 372

Search results for: X-ray photoelectron spectroscopy.

312 Petrology Investigation of Apatite Minerals in the Esfordi Mine, Yazd, Iran

Authors: Haleh Rezaei Zanjirabadi, Fatemeh Saberi, Bahman Rahimzadeh, Fariborz Masoudi, Mohammad Rahgosha

Abstract:

In this study, apatite minerals from the iron-phosphate deposit of Yazd have been investigated within the microcontinent zone of Iran in the Zagros structural zone. The geological units in the Esfordi area belong to the pre-Cambrian to lower-Cambrian age, consisting of a succession of carbonate rocks (dolomite), shale, tuff, sandstone, and volcanic rocks. In addition to the mentioned sedimentary and volcanic rocks, the granitoid mass of Bahabad, which is the largest intrusive mass in the region, has intruded into the eastern part of this series and has caused its metamorphism and alteration. After collecting the available data, various samples of Esfordi’s apatite were prepared, and their mineralogy and crystallography were investigated using laboratory methods such as petrographic microscopy, Raman spectroscopy, EDS (Energy Dispersive Spectroscopy), and Scanning Electron Microscopy (SEM). In non-destructive Raman spectroscopy, the molecular structure of apatite minerals was revealed in four distinct spectral ranges. Initially, the spectra of phosphate and aluminum bonds with O2HO, OH, were observed, followed by the identification of Cl, OH, Al, Na, Ca and hydroxyl units depending on the type of apatite mineral family. In SEM analysis, based on various shapes and different phases of apatites, their constituent major elements were identified through EDS, indicating that the samples from the Esfordi mining area exhibit a dense and coherent texture with smooth surfaces. Based on the elemental analysis results by EDS, the apatites in the Esfordi area are classified into the calcic apatite group.

Keywords: Petrology, apatite, Esfordi, EDS, SEM, Scanning Electron Microscopy, Raman spectroscopy.

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311 Preparation and Fabrication of Lithium Disilicate Glass Ceramic as Dental Crowns via Hot Pressing Method

Authors: A. Srion, W. Thepsuwan, N. Monmaturapoj

Abstract:

Two Lithium Disilicate (LD) glass ceramics based on SiO2-Li2O-K2O-Al2O3 system were prepared through a glass melting method. The glass rods were then fabricated into dental crowns via a hot pressing at 900˚C and 850˚C in order to study the effect of the pressing temperatures on the phase formation and microstructure of the glasses. Different samples of as cast glass and heat treated samples (600˚C and 700˚C) were used to press for investigating the effect of an initial microstructure on the hot pressing technique. Xray diffraction (XRD) and scanning electron microscopy (SEM) were performed to determine the phase formation and microstructure of the samples, respectively. XRD results show that the main crystalline structure was Li2Si2O5 by having Li3PO4, Li0.6Al0.6Si2O6, Li2SiO3, Ca5 (PO4)3F and SiO2 as minor phases. Glass compositions with different heat treatment temperatures exhibited a difference phase formations but have less effect during pressing. SEM micrographs showed the microstructure of Li2Si2O5 as lath-like shape in all glasses. With increasing the initial heat treatment temperature, the longer the lath-like crystals of lithium disilicate were increased especially when using glass heat treatment at 700˚C followed by pressing at 900˚C. This could be suggested that LD1 heat treatment at 700˚C which pressing at 900˚C presented the best formation by the hot pressing and compiled microstructure.

Keywords: Lithium disilicate, Hot pressing, Dental crown, Microstructure.

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310 Kohonen Self-Organizing Maps as a New Method for Determination of Salt Composition of Multi-Component Solutions

Authors: Sergey A. Burikov, Tatiana A. Dolenko, Kirill A. Gushchin, Sergey A. Dolenko

Abstract:

The paper presents the results of clusterization by Kohonen self-organizing maps (SOM) applied for analysis of array of Raman spectra of multi-component solutions of inorganic salts, for determination of types of salts present in the solution. It is demonstrated that use of SOM is a promising method for solution of clusterization and classification problems in spectroscopy of multicomponent objects, as attributing a pattern to some cluster may be used for recognition of component composition of the object.

Keywords: Kohonen self-organizing maps, clusterization, multicomponent solutions, Raman spectroscopy.

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309 Detailed Sensitive Detection of Impurities in Waste Engine Oils Using Laser Induced Breakdown Spectroscopy, Rotating Disk Electrode Optical Emission Spectroscopy and Surface Plasmon Resonance

Authors: Cherry Dhiman, Ayushi Paliwal, Mohd. Shahid Khan, M. N. Reddy, Vinay Gupta, Monika Tomar

Abstract:

The laser based high resolution spectroscopic experimental techniques such as Laser Induced Breakdown Spectroscopy (LIBS), Rotating Disk Electrode Optical Emission spectroscopy (RDE-OES) and Surface Plasmon Resonance (SPR) have been used for the study of composition and degradation analysis of used engine oils. Engine oils are mainly composed of aliphatic and aromatics compounds and its soot contains hazardous components in the form of fine, coarse and ultrafine particles consisting of wear metal elements. Such coarse particulates matter (PM) and toxic elements are extremely dangerous for human health that can cause respiratory and genetic disorder in humans. The combustible soot from thermal power plants, industry, aircrafts, ships and vehicles can lead to the environmental and climate destabilization. It contributes towards global pollution for land, water, air and global warming for environment. The detection of such toxicants in the form of elemental analysis is a very serious issue for the waste material management of various organic, inorganic hydrocarbons and radioactive waste elements. In view of such important points, the current study on used engine oils was performed. The fundamental characterization of engine oils was conducted by measuring water content and kinematic viscosity test that proves the crude analysis of the degradation of used engine oils samples. The microscopic quantitative and qualitative analysis was presented by RDE-OES technique which confirms the presence of elemental impurities of Pb, Al, Cu, Si, Fe, Cr, Na and Ba lines for used waste engine oil samples in few ppm. The presence of such elemental impurities was confirmed by LIBS spectral analysis at various transition levels of atomic line. The recorded transition line of Pb confirms the maximum degradation which was found in used engine oil sample no. 3 and 4. Apart from the basic tests, the calculations for dielectric constants and refractive index of the engine oils were performed via SPR analysis.

Keywords: Laser induced breakdown spectroscopy, rotating disk electrode optical emission spectroscopy, surface plasmon resonance, ICCD spectrometer, Nd:YAG laser, engine oil.

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308 Analytical Authentication of Butter Using Fourier Transform Infrared Spectroscopy Coupled with Chemometrics

Authors: M. Bodner, M. Scampicchio

Abstract:

Fourier Transform Infrared (FT-IR) spectroscopy coupled with chemometrics was used to distinguish between butter samples and non-butter samples. Further, quantification of the content of margarine in adulterated butter samples was investigated. Fingerprinting region (1400-800 cm–1) was used to develop unsupervised pattern recognition (Principal Component Analysis, PCA), supervised modeling (Soft Independent Modelling by Class Analogy, SIMCA), classification (Partial Least Squares Discriminant Analysis, PLS-DA) and regression (Partial Least Squares Regression, PLS-R) models. PCA of the fingerprinting region shows a clustering of the two sample types. All samples were classified in their rightful class by SIMCA approach; however, nine adulterated samples (between 1% and 30% w/w of margarine) were classified as belonging both at the butter class and at the non-butter one. In the two-class PLS-DA model’s (R2 = 0.73, RMSEP, Root Mean Square Error of Prediction = 0.26% w/w) sensitivity was 71.4% and Positive Predictive Value (PPV) 100%. Its threshold was calculated at 7% w/w of margarine in adulterated butter samples. Finally, PLS-R model (R2 = 0.84, RMSEP = 16.54%) was developed. PLS-DA was a suitable classification tool and PLS-R a proper quantification approach. Results demonstrate that FT-IR spectroscopy combined with PLS-R can be used as a rapid, simple and safe method to identify pure butter samples from adulterated ones and to determine the grade of adulteration of margarine in butter samples.

Keywords: Adulterated butter, margarine, PCA, PLS-DA, PLS-R, SIMCA.

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307 Patterned Growth of ZnO Nanowire Arrays on Zinc Foil by Thermal Oxidation

Authors: Farid Jamali Sheini, Dilip S. Joag, Mahendra A. More

Abstract:

A simple approach is demonstrated for growing large scale, nearly vertically aligned ZnO nanowire arrays by thermal oxidation method. To reveal effect of temperature on growth and physical properties of the ZnO nanowires, gold coated zinc substrates were annealed at 300 °C and 400 °C for 4 hours duration in air. Xray diffraction patterns of annealed samples indicated a set of well defined diffraction peaks, indexed to the wurtzite hexagonal phase of ZnO. The scanning electron microscopy studies show formation of ZnO nanowires having length of several microns and average of diameter less than 500 nm. It is found that the areal density of wires is relatively higher, when the annealing is carried out at higher temperature i.e. at 400°C. From the field emission studies, the values of the turn-on and threshold field, required to draw emission current density of 10 μA/cm2 and 100 μA/cm2 are observed to be 1.2 V/μm and 1.7 V/μm for the samples annealed at 300 °C and 2.9 V/μm and 3.7 V/μm for that annealed at 400 °C, respectively. The field emission current stability, investigated over duration of more than 2 hours at the preset value of 1 μA, is found to be fairly good in both cases. The simplicity of the synthesis route coupled with the promising field emission properties offer unprecedented advantage for the use of ZnO field emitters for high current density applications.

Keywords: ZnO, Nanowires, Thermal oxidation, FieldEmission.

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306 Effect of Cr and Fe Doping on the Structural and Optical Properties of ZnO Nanostructures

Authors: Prakash Chand, Anurag Gaur, Ashavani Kumar

Abstract:

In the present study, we have synthesized Cr and Fe doped zinc oxide (ZnO) nanostructures (Zn1-δCraFebO; where δ = a + b = 20%, a = 5, 6, 8 & 10% and b = 15, 14, 12 & 10%) via sol-gel method at different doping concentrations. The synthesized samples were characterized for structural properties by X-ray diffractrometer and field emission scanning electron microscope and the optical properties were carried out through photoluminescence and UVvisible spectroscopy. The particle size calculated through field emission scanning electron microscope varies from 41 to 96 nm for the samples synthesized at different doping concentrations. The optical band gaps calculated through UV-visible spectroscopy are found to be decreasing from 3.27 to 3.02 eV as the doping concentration of Cr increases and Fe decreases.

Keywords: Nanostructures, Optical Properties, Sol-gel method.

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305 Characterization of Organic Matter in Spodosol Amazonian by Fluorescence Spectroscopy

Authors: Amanda M. Tadini, Houssam Hajjoul, Gustavo Nicolodelli, Stéphane Mounier, Célia R. Montes, Débora M. B. P. Milori

Abstract:

Soil organic matter (SOM) plays an important role in maintaining soil productivity and accounting for the promotion of biological diversity. The main components of the SOM are the humic substances which can be fractionated according to its solubility in humic acid (HA), fulvic acids (FA) and humin (HU). The determination of the chemical properties of organic matter as well as its interaction with metallic species is an important tool for understanding the structure of the humic fractions. Fluorescence spectroscopy has been studied as a source of information about what is happening at the molecular level in these compounds. Specially, soils of Amazon region are an important ecosystem of the planet. The aim of this study is to understand the molecular and structural composition of HA samples from Spodosol of Amazonia using the fluorescence Emission-Excitation Matrix (EEM) and Time Resolved Fluorescence Spectroscopy (TRFS). The results showed that the samples of HA showed two fluorescent components; one has a more complex structure and the other one has a simpler structure, which was also seen in TRFS through the evaluation of each sample lifetime. Thus, studies of this nature become important because it aims to evaluate the molecular and structural characteristics of the humic fractions in the region that is considered as one of the most important regions in the world, the Amazon.

Keywords: Amazonian soil, characterization, fluorescence, humic acid, lifetime.

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304 Material Analysis for Temple Painting Conservation in Taiwan

Authors: Chen-Fu Wang, Lin-Ya Kung

Abstract:

For traditional painting materials, the artisan used to combine the pigments with different binders to create colors. As time goes by, the materials used for painting evolved from natural to chemical materials. The vast variety of ingredients used in chemical materials has complicated restoration work; it makes conservation work more difficult. Conservation work also becomes harder when the materials cannot be easily identified; therefore, it is essential that we take a more scientific approach to assist in conservation work. Paintings materials are high molecular weight polymer, and their analysis is very complicated as well other contamination such as smoke and dirt can also interfere with the analysis of the material. The current methods of composition analysis of painting materials include Fourier transform infrared spectroscopy (FT-IR), mass spectrometer, Raman spectroscopy, X-ray diffraction spectroscopy (XRD), each of which has its own limitation. In this study, FT-IR was used to analyze the components of the paint coating. We have taken the most commonly seen materials as samples and deteriorated it. The aged information was then used for the database to exam the temple painting materials. By observing the FT-IR changes over time, we can tell all of the painting materials will be deteriorated by the UV light, but only the speed of its degradation had some difference. From the deterioration experiment, the acrylic resin resists better than the others. After collecting the painting materials aging information on FT-IR, we performed some test on the paintings on the temples. It was found that most of the artisan used tune-oil for painting materials, and some other paintings used chemical materials. This method is now working successfully on identifying the painting materials. However, the method is destructive and high cost. In the future, we will work on the how to know the painting materials more efficiently.

Keywords: Temple painting, painting material, conservation, FT-IR.

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303 Structure and Magnetic Properties of Nanocomposite Fe2O3/TiO2 Catalysts Fabricated by Heterogeneous Precipitation

Authors: Jana P. Vejpravova, Daniel Niznansky, Vaclav Vales, Barbara Bittova, Vaclav Tyrpekl, Stanislav Danis, Vaclav Holy, Stephen Doyle

Abstract:

The aim of our work is to study phase composition, particle size and magnetic response of Fe2O3/TiO2 nanocomposites with respect to the final annealing temperature. Those nanomaterials are considered as smart catalysts, separable from a liquid/gaseous phase by applied magnetic field. The starting product was obtained by an ecologically acceptable route, based on heterogeneous precipitation of the TiO2 on modified g-Fe2O3 nanocrystals dispersed in water. The precursor was subsequently annealed on air at temperatures ranging from 200 oC to 900 oC. The samples were investigated by synchrotron X-ray powder diffraction (S-PXRD), magnetic measurements and Mössbauer spectroscopy. As evidenced by S-PXRD and Mössbauer spectroscopy, increasing the annealing temperature causes evolution of the phase composition from anatase/maghemite to rutile/hematite, finally above 700 oC the pseudobrookite (Fe2TiO5) also forms. The apparent particle size of the various Fe2O3/TiO2 phases has been determined from the highquality S-PXRD data by using two different approaches: the Rietveld refinement and the Debye method. Magnetic response of the samples is discussed in considering the phase composition and the particle size.

Keywords: X-ray diffraction, profile analysis, Mössbauer spectroscopy, magnetic properties, TiO2, Fe2O3, Fe2TiO5

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302 Evaluation of the Magnesium Wastes with Boron Oxide in Magnesium Borate Synthesis

Authors: A. S. Kipcak, F. T. Senberber, E. Moroydor Derun, S. Piskin

Abstract:

Magnesium wastes and scraps, one of the metal wastes, are produced by many industrial activities, all over the world. Their growing size is becoming a future problem for the world. In this study, the use of magnesium wastes as a raw material in the production of the magnesium borate hydrates are aimed. The method used in the experiments is hydrothermal synthesis. The conditions are set to, waste magnesium to B2O3, 1:3 as a molar ratio. Four different reaction times are studied which are 30, 60, 120 and 240 minutes. For the identification analyses X-Ray Diffraction (XRD), Fourier Transform Infrared Spectroscopy (FT-IR) and Raman spectroscopy techniques are used. As a result at all the reaction times magnesium borate hydrates are synthesized and the most crystalline forms are obtained at a reaction time of 120 minutes. The overall yields of the production are found between the values of 65-80 %.

Keywords: Hydrothermal synthesis, magnesium borates, magnesium wastes, boron oxide

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301 Synthesis of SnO Novel Cabbage Nanostructure and Its Electrochemical Property as an Anode Material for Lithium Ion Battery

Authors: Yongkui Cui, Fengping Wang, Hailai Zhao, Muhammad Zubair Iqbal, Ziya Wang, Yan Li, Pengpeng L. V.

Abstract:

The novel 3D SnO cabbages self-assembled by nanosheets were successfully synthesized via template-free hydrothermal growth method under facile conditions. The XRD results manifest that the as-prepared SnO is tetragonal phase. The TEM and HRTEM results show that the cabbage nanosheets are polycrystalline structure consisted of considerable single-crystalline nanoparticles. Two typical Raman modes A1g=210 and Eg=112 cm-1 of SnO are observed by Raman spectroscopy. Moreover, galvanostatic cycling tests has been performed using the SnO cabbages as anode material of lithium ion battery and the electrochemical results suggest that the synthesized SnO cabbage structures are a promising anode material for lithium ion batteries.

Keywords: Hydrothermal process, lithium ion battery, Raman spectroscopy, stannous oxide.

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300 Low-Temperature Luminescence Spectroscopy of Violet Sr-Al-O:Eu2+ Phosphor Particles

Authors: Keiji Komatsu, Hayato Maruyama, Ariyuki Kato, Atsushi Nakamura, Shigeo Ohshio, Hiroki Akasaka, Hidetoshi Saitoh

Abstract:

Violet Sr–Al–O:Eu2+ phosphor particles were synthesized from a metal–ethylenediaminetetraacetic acid (EDTA) solution of Sr, Al, Eu, and particulate alumina via spray drying and sintering in a reducing atmosphere. The crystal structures and emission properties at 85–300 K were investigated. The composition of the violet Sr–Al–O:Eu2+ phosphor particles was determined from various Sr–Al–O:Eu2+ phosphors by their emission properties’ dependence on temperature. The highly crystalline SrAl12O19:Eu2+ emission phases were confirmed by their crystallite sizes and the activation energies for the 4f5d–8S7/2 transition of the Eu2+ ion. These results showed that the material identification for the violet Sr–Al–O:Eu2+ phosphor was accomplished by the low-temperature luminescence measurements.

Keywords: Low temperature luminescence spectroscopy, Material Identification, Strontium aluminates phosphor.

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299 Optical Characterization of a Microwave Plasma Torch for Hydrogen Production

Authors: Babajide O. Ogungbesan, Rajneesh Kumar, Mohamed Sassi

Abstract:

Hydrogen sulfide (H2S) is a very toxic gas that is produced in very large quantities in the oil and gas industry. It cannot be flared to the atmosphere and Claus process based gas plants are used to recover the sulfur and convert the hydrogen to water. In this paper, we present optical characterization of an atmospheric pressure microwave plasma torch for H2S dissociation into hydrogen and sulfur. The torch is operated at 2.45 GHz with power up to 2 kW. Three different gases can simultaneously be injected in the plasma torch. Visual imaging and optical emission spectroscopy are used to characterize the plasma for varying gas flow rates and microwave power. The plasma length, emission spectra and temperature are presented. The obtained experimental results validate our earlier published simulation results of plasma torch.

Keywords: Atmospheric pressure microwave plasma, gas dissociation, optical emission spectroscopy.

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298 Biosynthesis of Silver-Phosphate Nanoparticles Using the Extracellular Polymeric Substance of Sporosarcina pasteurii

Authors: Mohammadhosein Rahimi, Mohammad Raouf Hosseini, Mehran Bakhshi, Alireza Baghbanan

Abstract:

Silver ions (Ag+) and their compounds are consequentially toxic to microorganisms, showing biocidal effects on many species of bacteria. Silver-phosphate (or silver orthophosphate) is one of these compounds, which is famous for its antimicrobial effect and catalysis application. In the present study, a green method was presented to synthesis silver-phosphate nanoparticles using Sporosarcina pasteurii. The composition of the biosynthesized nanoparticles was identified as Ag3PO4 using X-ray Diffraction (XRD) and Energy Dispersive Spectroscopy (EDS). Also, Fourier Transform Infrared (FTIR) spectroscopy showed that Ag3PO4 nanoparticles was synthesized in the presence of biosurfactants, enzymes, and proteins. In addition, UV-Vis adsorption of the produced colloidal suspension approved the results of XRD and FTIR analyses. Finally, Transmission Electron Microscope (TEM) images indicated that the size of the nanoparticles was about 20 nm.

Keywords: Bacteria, biosynthesis, silver-phosphate, Sporosarcina pasteurii, nanoparticle.

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297 Fermentative Production and Characterization of Carboxymethyl Bacterial Cellulose Using Date Syrup

Authors: Marzieh Moosavi-Nasab, Ali R. Yousefi, Hamed Askari, Maryam Bakhtiyari

Abstract:

In this study, static batch fermentation was used for bacterial cellulose production in date syrup solution (Bx. 10%) at 28°C using Gluconacetobacter. xylinus (PTCC 1734). The physicochemical properties of standard Sigma CMC and the produced carboxymethyl bacterial cellulose (CMBC) were studied using FT-IR spectroscopy, X-ray diffractometry (XRD) and Scanning Electron Microscopy (SEM). According to the FT-IR spectra the bands at 1664 and 1431 cm-1 indicate that carboxylic acid groups and carboxylate groups exist on the surface. The SEM imaging of CMBC and CMC carried out in magnification of 1K. Comparing the SEM imaging obviously showed that the ribbon shape in CMC remained but the length of ribbons became shorter while that shape changed to flake shape for CMBC. Determination of the area under XRD patterns demonstrated that the crystallinity amount of CMC was more than that for CMBC (51.08% and 81.84% for CMBC and CMC, respectively).

Keywords: Carboxymethyl bacterial cellulose, Fourier Transform Infrared spectroscopy, Scanning Electron Microscopy, X-ray diffractometry.

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296 A Novel Hopfield Neural Network for Perfect Calculation of Magnetic Resonance Spectroscopy

Authors: Hazem M. El-Bakry

Abstract:

In this paper, an automatic determination algorithm for nuclear magnetic resonance (NMR) spectra of the metabolites in the living body by magnetic resonance spectroscopy (MRS) without human intervention or complicated calculations is presented. In such method, the problem of NMR spectrum determination is transformed into the determination of the parameters of a mathematical model of the NMR signal. To calculate these parameters efficiently, a new model called modified Hopfield neural network is designed. The main achievement of this paper over the work in literature [30] is that the speed of the modified Hopfield neural network is accelerated. This is done by applying cross correlation in the frequency domain between the input values and the input weights. The modified Hopfield neural network can accomplish complex dignals perfectly with out any additinal computation steps. This is a valuable advantage as NMR signals are complex-valued. In addition, a technique called “modified sequential extension of section (MSES)" that takes into account the damping rate of the NMR signal is developed to be faster than that presented in [30]. Simulation results show that the calculation precision of the spectrum improves when MSES is used along with the neural network. Furthermore, MSES is found to reduce the local minimum problem in Hopfield neural networks. Moreover, the performance of the proposed method is evaluated and there is no effect on the performance of calculations when using the modified Hopfield neural networks.

Keywords: Hopfield Neural Networks, Cross Correlation, Nuclear Magnetic Resonance, Magnetic Resonance Spectroscopy, Fast Fourier Transform.

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295 Chitosan Functionalized Fe3O4@Au Core-Shell Nanomaterials for Targeted Drug Delivery

Authors: S. S. Pati, L. Herojit Singh, A. C. Oliveira, V. K. Garg

Abstract:

Chitosan functionalized Fe3O4-Au core shell nanoparticles have been prepared using a two-step wet chemical approach using NaBH4 as reducing agent for formation of Au in ethylene glycol. X-ray diffraction studies shows individual phases of Fe3O4 and Au in the as prepared samples with crystallite size of 5.9 and 11.4 nm respectively. The functionalization of the core-shell nanostructure with Chitosan has been confirmed using Fourier transform infrared spectroscopy along with signatures of octahedral and tetrahedral sites of Fe3O4 below 600cm-1. Mössbauer spectroscopy shows decrease in particle-particle interaction in presence of Au shell (72% sextet) than pure oleic coated Fe3O4 nanoparticles (88% sextet) at room temperature. At 80K, oleic acid coated Fe3O4 shows only sextets whereas the Chitosan functionalized Fe3O4 and Chitosan functionalized Fe3O4@Au core shell show presence of 5 and 11% doublet, respectively.

Keywords: Magnetic nanoparticles, Fe3O4@Au core shell, iron oxide, Au nanoparticles.

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294 Application of Adaptive Neural Network Algorithms for Determination of Salt Composition of Waters Using Laser Spectroscopy

Authors: Tatiana A. Dolenko, Sergey A. Burikov, Alexander O. Efitorov, Sergey A. Dolenko

Abstract:

In this study, a comparative analysis of the approaches associated with the use of neural network algorithms for effective solution of a complex inverse problem – the problem of identifying and determining the individual concentrations of inorganic salts in multicomponent aqueous solutions by the spectra of Raman scattering of light – is performed. It is shown that application of artificial neural networks provides the average accuracy of determination of concentration of each salt no worse than 0.025 M. The results of comparative analysis of input data compression methods are presented. It is demonstrated that use of uniform aggregation of input features allows decreasing the error of determination of individual concentrations of components by 16-18% on the average.

Keywords: Inverse problems, multi-component solutions, neural networks, Raman spectroscopy.

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293 Multivariate Analysis of Spectroscopic Data for Agriculture Applications

Authors: Asmaa M. Hussein, Amr Wassal, Ahmed Farouk Al-Sadek, A. F. Abd El-Rahman

Abstract:

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.

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292 Dielectric and Impedance Spectroscopy of Samarium and Lanthanum Doped Barium Titanate at Room Temperature

Authors: Sukhleen Bindra Narang, Dalveer Kaur, Kunal Pubby

Abstract:

Dielectric ceramic samples in the BaO-Re2O3-TiO2 ternary system were synthesized with structural formula Ba2- xRe4+2x/3Ti8O24 where Re= rare earth metal and Re= Sm and La where x varies from 0.0 to 0.6 with step size 0.1. Polycrystalline samples were prepared by the conventional solid state reaction technique. The dielectric, electrical and impedance analysis of all the samples in the frequency range 1KHz- 1MHz at room temperature (25°C) have been done to get the understanding of electrical conduction and dielectric relaxation and their correlation. Dielectric response of the samples at lower frequencies shows dielectric dispersion while at higher frequencies it shows dielectric relaxation. The ac conductivity is well fitted by the Jonscher law. The spectroscopic data in the impedance plane confirms the existence of grain contribution to the relaxation. All the properties are found out to be function of frequency as well as the amount of substitution.

Keywords: Dielectric ceramics, Dielectric constant, Loss tangent, AC conductivity, Impedance spectroscopy.

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291 Contribution to the Study of Thermal Conductivity of Porous Silicon Used In Thermal Sensors

Authors: A. Ould-Abbas, M. Bouchaour, , M. Madani, D. Trari, O. Zeggai, M. Boukais, N.-E.Chabane-Sari

Abstract:

The porous silicon (PS), formed from the anodization of a p+ type substrate silicon, consists of a network organized in a pseudo-column as structure of multiple side ramifications. Structural micro-topology can be interpreted as the fraction of the interconnected solid phase contributing to thermal transport. The reduction of dimensions of silicon of each nanocristallite during the oxidation induced a reduction in thermal conductivity. Integration of thermal sensors in the Microsystems silicon requires an effective insulation of the sensor element. Indeed, the low thermal conductivity of PS consists in a very promising way in the fabrication of integrated thermal Microsystems.In this work we are interesting in the measurements of thermal conductivity (on the surface and in depth) of PS by the micro-Raman spectroscopy. The thermal conductivity is studied according to the parameters of anodization (initial doping and current density. We also, determine porosity of samples by spectroellipsometry.

Keywords: micro-Raman spectroscopy, mono-crysatl silicon, porous silicon, thermal conductivity

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290 Optical and Dielectric Properties of Self-Assembled 0D Hybrid Organic-Inorganic Insulator

Authors: S. Kassou, R. El Mrabet, A. Belaaraj, P. Guionneau, N. Hadi, T. Lamcharfi

Abstract:

The organic–inorganic hybrid perovskite-like [C6H5C2H4NH3]2ZnCl4 (PEA-ZnCl4) was synthesized by saturated solutions method. X-ray powder diffraction, Raman spectroscopy, UV-visible transmittance, and capacitance meter measurements have been used to characterize the structure, the functional groups, the optical parameters, and the dielectric constants of the material. The material has a layered structure. The optical transmittance (T %) was recorded and applied to deduce the absorption coefficient (α) and optical band gap (Eg). The hybrid shows an insulator character with a direct band gap about 4.46 eV, and presents high dielectric constants up to a frequency of about 105 Hz, which suggests a ferroelectric behavior. The reported optical and dielectric properties can help to understand the fundamental properties of perovskite materials and also to be used for optimizing or designing new devices.

Keywords: Dielectric constants, optical band gap (Eg), optical parameters, Raman spectroscopy, self-assembly organic inorganic hybrid.

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289 Development and Characterization of Normoxic Polyhydroxyethylacrylate (PHEA) Gel Dosimeter using Raman Spectroscopy

Authors: Aifa Afirah Rozlan, Mohamad Suhaimi Jaafar, Azhar Abdul Rahman

Abstract:

Raman spectroscopy are used to characterize the chemical changes in normoxic polyhydroxyethylacrylate gel dosimeter (PHEA) induced by radiation. Irradiations in the low dose region are performed and the polymerizations of PHEA gels are monitored by the observing the changes of Raman shift intensity of the carbon covalent bond of PHEA originated from both monomer and the cross-linker. The variation in peak intensities with absorbed dose was observed. As the dose increase, the peak intensities of covalent bond of carbon in the polymer gels decrease. This point out that the amount of absorbed dose affect the polymerization of polymer gels. As the absorbed dose increase, the polymerizations also increase. Results verify that PHEA gel dosimeters are sensitive even in lower dose region.

Keywords: normoxic polymer gel, ascorbic acid, Ramanspectroscopy, radiation dosimetry.

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288 The Mechanism Study of Degradative Solvent Extraction of Biomass by Liquid Membrane-Fourier Transform Infrared Spectroscopy

Authors: W. Ketren, J. Wannapeera, Z. Heishun, A. Ryuichi, K. Toshiteru, M. Kouichi, O. Hideaki

Abstract:

Degradative solvent extraction is the method developed for biomass upgrading by dewatering and fractionation of biomass under the mild condition. However, the conversion mechanism of the degradative solvent extraction method has not been fully understood so far. The rice straw was treated in 1-methylnaphthalene (1-MN) at a different solvent-treatment temperature varied from 250 to 350 oC with the residence time for 60 min. The liquid membrane-Fourier Transform Infrared Spectroscopy (FTIR) technique is applied to study the processing mechanism in-depth without separation of the solvent. It has been found that the strength of the oxygen-hydrogen stretching  (3600-3100 cm-1) decreased slightly with increasing temperature in the range of 300-350 oC. The decrease of the hydroxyl group in the solvent soluble suggested dehydration reaction taking place between 300 and 350 oC. FTIR spectra in the carbonyl stretching region (1800-1600 cm-1) revealed the presence of esters groups, carboxylic acid and ketonic groups in the solvent-soluble of biomass. The carboxylic acid increased in the range of 200 to 250 oC and then decreased. The prevailing of aromatic groups showed that the aromatization took place during extraction at above 250 oC. From 300 to 350 oC, the carbonyl functional groups in the solvent-soluble noticeably decreased. The removal of the carboxylic acid and the decrease of esters into the form of carbon dioxide indicated that the decarboxylation reaction occurred during the extraction process.

Keywords: Biomass upgrading, liquid membrane-Fourier transform infrared spectroscopy, FTIR, degradative solvent extraction, mechanism.

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287 One-Pot Facile Synthesis of N-Doped Graphene Synthesized from Paraphenylenediamine as Metal-Free Catalysts for the Oxygen Reduction Used for Alkaline Fuel Cells

Authors: Leila Samiee, Amir Yadegari, Saeedeh Tasharrofi

Abstract:

In the work presented here, nitrogen-doped graphene materials were synthesized and used as metal-free electrocatalysts for oxygen reduction reaction (ORR) under alkaline conditions. Paraphenylenediamine was used as N precursor. The N-doped graphene was synthesized under hydrothermal treatment at 200°C. All the materials have been characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), Transmission electron microscopy (TEM) and X-ray photo-electron spectroscopy (XPS). Moreover, for electrochemical evaluation of samples, Rotating Disk electrode (RDE) and Cyclic Voltammetry techniques (CV) were employed. The resulting material exhibits an outstanding catalytic activity for the oxygen reduction reaction (ORR) as well as excellent resistance towards methanol crossover effects, indicating their promising potential as ORR electrocatalysts for alkaline fuel cells.

Keywords: Alkaline fuel cell, graphene, metal-free catalyst, paraphenylenediamine.

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286 Analysis of Coal Tar Compositions Produced from Sub-Bituminous Kalimantan Coal Tar

Authors: D. S. Fardhyanti, A. Damayanti

Abstract:

Coal tar is a liquid by-product of coal pyrolysis processes. This liquid oil mixture contains various kinds of useful compounds such as benzoic aromatic compounds and phenolic compounds. These compounds are widely used as raw material for insecticides, dyes, medicines, perfumes, coloring matters, and many others. The coal tar was collected by pyrolysis process of coal obtained from PT Kaltim Prima Coal and Arutmin-Kalimantan. The experiments typically occurred at the atmospheric pressure in a laboratory furnace at temperatures ranging from 300 to 550oC with a heating rate of 10oC/min and a holding time of 1 hour at the pyrolysis temperature. The Gas Chromatography-Mass Spectroscopy (GC-MS) was used to analyze the coal tar components. The obtained coal tar has the viscosity of 3.12 cp, the density of 2.78 g/cm3, the calorific value of 11,048.44 cal/g, and the molecular weight of 222.67. The analysis result showed that the coal tar contained more than 78 chemical compounds such as benzene, cresol, phenol, xylene, naphtalene, etc. The total phenolic compounds contained in coal tar are 33.25% (PT KPC) and 17.58% (Arutmin-Kalimantan). The total naphtalene compounds contained in coal tar is 14.15% (PT KPC) and 17.13% (Arutmin-Kalimantan).

Keywords: Coal tar, pyrolysis, gas chromatography-mass spectroscopy.

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285 The Concentration Effects for the Adsorption Behavior of Heptyl Viologen Cation Radicals on Indium-Tin-Oxide Electrode Surfaces

Authors: Yusuke Ayato, Takashi Itahashi, Akiko Takatsu, Kenji Kato, Naoki Matsuda

Abstract:

In situ observation of absorption spectral change of heptil viologen cation radical (HV+.) was performed by slab optical waveguide (SOWG) spectroscopy utilizing indium-tin-oxide (ITO) electrodes. Synchronizing with electrochemical techniques, we observed the adsorption process of HV+.on the ITO electrode. In this study, we carried out the ITO-SOWG observations using KBr aqueous solution containing different concentration of HV to investigate the concentration dependent spectral change. A few specific absorption bands, which indicated HV+.existed as both monomer and dimer on ITO electrode surface with a monolayer or a few layers deposition, were observed in UV-visible region. The change in the peak position of the absorption spectra from adsorption species of HV+. were correlated with the concentration of HV as well as the electrode potential.

Keywords: absorption phenomena, heptil viologen, indium-tin-oxide (ITO) electrode, in situ, slab optical waveguide(SOWG) spectroscopy,

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284 Stabilization of Transition Metal Chromite Nanoparticles in Silica Matrix

Authors: Jiri Plocek, Petr Holec, Simona Kubickova, Barbara Pacakova, Irena Matulkova, Alice Mantlikova, Ivan Nemec, Daniel Niznansky, Jana Vejpravova

Abstract:

This article presents summary on preparation and characterization of zinc, copper, cadmium and cobalt chromite nanocrystals, embedded in an amorphous silica matrix. The ZnCr2O4/SiO2, CuCr2O4/SiO2, CdCr2O4/SiO2 and CoCr2O4/SiO2 nanocomposites were prepared by a conventional sol-gel method under acid catalysis. Final heat treatment of the samples was carried out at temperatures in the range of 900−1200 ◦C to adjust the phase composition and the crystallite size, respectively. The resulting samples were characterized by Powder X-ray diffraction (PXRD), High Resolution Transmission Electron Microscopy (HRTEM), Raman/FTIR spectroscopy and magnetic measurements. Formation of the spinel phase was confirmed in all samples. The average size of the nanocrystals was determined from the PXRD data and by direct particle size observation on HRTEM; both results were correlated. The mean particle size (reviewed by HRTEM) was in the range from ∼4 to 46 nm. The results showed that the sol-gel method can be effectively used for preparation of the spinel chromite nanoparticles embedded in the silica matrix and the particle size is driven by the type of the cation A2+ in the spinel structure and the temperature of the final heat treatment. Magnetic properties of the nanocrystals were found to be just moderately modified in comparison to the bulk phases.

Keywords: Chromite, Fourier transform infrared spectroscopy, agnetic properties, nanocomposites, Raman spectroscopy, Rietveld refinement, sol-gel method, spinel.

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283 Traumatic Ankle Pain: Adequacy of Clinical Information in X-Ray Request with Reference to the Ottawa Ankle Rule

Authors: Rania Mustafa

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This audit was conducted at Manchester University NHS Foundation Trust, Wythenshawe Hospital Radiology and Accident and Emergency [A&E] Department to assess the appropriateness of clinical information in X-ray requests, specifically in cases of acute ankle injuries. As per the Ottawa Ankle Rules and the recommendations of National Institute for Health and Care Excellence [NICE] and the Royal College of Radiology, we aimed to evaluate the appropriateness of referrals and the thoroughness of clinical information provided by Emergency Department [ED] clinicians for ankle radiography. Our goal was to achieve 100% compliance with these guidelines. The audit involved a comprehensive analysis spanning the period from August 2022 to January 2023, encompassing patient records, radiographic orders, and clinical assessments. Data collection included patient demographics, presenting complaints, clinical assessments, adherence to Ottawa Ankle Rules criteria, and subsequent radiography orders. Here we conducted two audit cycles, involving 38 patients in the first cycle and 86 patients in the second cycle. The data were furtherly filtered to include all patients who were referred from the ED for an ankle Xray with a history of acute trauma and age of more than 18 years. The key finding was that in August 2022, 60% of cases met the Ottawa Ankle Rules criteria accurately, indicating a need for improvement in adherence. However, by January 2023, there was a notable improvement, with 95% of cases accurately meeting the criteria. This significant change reflects an increased alignment with best practices for ankle radiography referrals.

Keywords: Ankle, injuries, Ottawa Ankle Rule, X-rays.

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