Search results for: FT-IR spectra
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 329

Search results for: FT-IR spectra

299 On Detour Spectra of Some Graphs

Authors: S.K.Ayyaswamy, S.Balachandran

Abstract:

The Detour matrix (DD) of a graph has for its ( i , j) entry the length of the longest path between vertices i and j. The DD-eigenvalues of a connected graph G are the eigenvalues for its detour matrix, and they form the DD-spectrum of G. The DD-energy EDD of the graph G is the sum of the absolute values of its DDeigenvalues. Two connected graphs are said to be DD- equienergetic if they have equal DD-energies. In this paper, the DD- spectra of a variety of graphs and their DD-energies are calculated.

Keywords: Detour eigenvalue (of a graph), detour spectrum(of a graph), detour energy(of a graph), detour - equienergetic graphs.

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298 The Upconversion of co-doped Nd3+/Er3+Tellurite Glass

Authors: Azman, K., Sahar, M.R., Rohani, M.S.

Abstract:

Series of tellurite glass of the system 78TeO2-10PbO- 10Li2O-(2-x)Nd2O3-xEr2O3, where x = 0.5, 1.0, 1.5 and 2.0 was successfully been made. A study of upconversion luminescence of the Nd3+/Er3+ co-doped tellurite glass has been carried out. From Judd-Ofelt analysis, the experimental lifetime, exp. τ of the glass serie are found higher in the visible region as they varies from 65.17ms to 114.63ms, whereas in the near infrared region (NIR) the lifetime are varies from 2.133ms to 2.270ms. Meanwhile, the emission cross section,σ results are found varies from 0.004 x 1020 cm2 to 1.007 x 1020 cm2 with respect to composition. The emission spectra of the glass are found been contributed from Nd3+ and Er3+ ions by which nine significant transition peaks are observed. The upconversion mechanism of the co-doped tellurite glass has been shown in the schematic energy diagrams. In this works, it is found that the excited state-absorption (ESA) is still dominant in the upconversion excitation process as the upconversion excitation mechanism of the Nd3+ excited-state levels is accomplished through a stepwise multiphonon process. An efficient excitation energy transfer (ET) has been observed between Nd3+ as a donor and Er3+ as the acceptor. As a result, respective emission spectra had been observed.

Keywords: Tellurite glass, co-dopant, upconvertionluminescence spectra.

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297 Carrageenan Properties Extracted From Eucheuma cottonii, Indonesia

Authors: Sperisa Distantina, Wiratni , Moh. Fahrurrozi, Rochmadi

Abstract:

The effect of extraction solvent upon properties of carrageenan from Eucheuma cottonii was studied. The distilled water and KOH solution (concentration 0.1- 0.5N) were used as the solvent. Extraction process was carried out in water bath equipped by stirrer with constant speed of 275 rpm with a constant ratio of seaweed weight to solvent volume ( 1:50 g/mL) at 86oC for 45 minutes. The extract was then precipitated in 3 volume of 90% ethanol, oven dried at 60oC. Based on experimental data, alkali significantly influenced yield and properties of extracted carrageenan. The extracted carrageenan was found to have essentially identical FTIR spectra to the reference samples of kappa-carrageenan. Increasing the KOH concentration led to carrageenan containing less sulfate content and intrinsic viscosity. The gel strength increased along with the increasing of KOH concentration. The decreasing of intrinsic viscosity value indicates that a polymer degradation occurs during alkali extraction.

Keywords: gel strength, sulfate, intrinsic viscosity, Eucheumacottonii

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296 Facile Synthesis of Vertically Aligned ZnO Nanowires on Carbon Layer by Vapour Deposition

Authors: Kh. A. Abdullin, N. B. Bakranov, S. E. Kudaibergenov, S.E. Kumekov, V. N. Ermolaev, L. V. Podrezova

Abstract:

A facile vapour deposition method of synthesis of vertically aligned ZnO nanowires on carbon seed layer was developed. The received samples were investigated on electronic microscope JSM-6490 LA JEOL and x-ray diffractometer X, pert MPD PRO. The photoluminescence spectra (PL) of obtained ZnO samples at a room temperature were studied using He-Cd laser (325 nm line) as excitation source.

Keywords: ZnO nanowires, vapor-phase deposition, Nicatalytic layer, facile method of synthesis, carbon catalytic layer, thephotoluminescence spectra, X-ray spectrum.

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295 Enhancement of m-FISH Images using Spectral Unmixing

Authors: Martin De Biasio, Raimund Leitner, Franz G. Wuertz, Sergey Verzakov, Pierre J. Elbischger

Abstract:

Breast carcinoma is the most common form of cancer in women. Multicolour fluorescent in-situ hybridisation (m-FISH) is a common method for staging breast carcinoma. The interpretation of m-FISH images is complicated due to two effects: (i) Spectral overlap in the emission spectra of fluorochrome marked DNA probes and (ii) tissue autofluorescence. In this paper hyper-spectral images of m-FISH samples are used and spectral unmixing is applied to produce false colour images with higher contrast and better information content than standard RGB images. The spectral unmixing is realised by combinations of: Orthogonal Projection Analysis (OPA), Alterating Least Squares (ALS), Simple-to-use Interactive Self-Modeling Mixture Analysis (SIMPLISMA) and VARIMAX. These are applied on the data to reduce tissue autofluorescence and resolve the spectral overlap in the emission spectra. The results show that spectral unmixing methods reduce the intensity caused by tissue autofluorescence by up to 78% and enhance image contrast by algorithmically reducing the overlap of the emission spectra.

Keywords: breast carcinoma, hyperspectral imaging, m-FISH, spectral unmixing

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294 Rigorous Electromagnetic Model of Fourier Transform Infrared (FT-IR) Spectroscopic Imaging Applied to Automated Histology of Prostate Tissue Specimens

Authors: Rohith K Reddy, David Mayerich, Michael Walsh, P Scott Carney, Rohit Bhargava

Abstract:

Fourier transform infrared (FT-IR) spectroscopic imaging is an emerging technique that provides both chemically and spatially resolved information. The rich chemical content of data may be utilized for computer-aided determinations of structure and pathologic state (cancer diagnosis) in histological tissue sections for prostate cancer. FT-IR spectroscopic imaging of prostate tissue has shown that tissue type (histological) classification can be performed to a high degree of accuracy [1] and cancer diagnosis can be performed with an accuracy of about 80% [2] on a microscopic (≈ 6μm) length scale. In performing these analyses, it has been observed that there is large variability (more than 60%) between spectra from different points on tissue that is expected to consist of the same essential chemical constituents. Spectra at the edges of tissues are characteristically and consistently different from chemically similar tissue in the middle of the same sample. Here, we explain these differences using a rigorous electromagnetic model for light-sample interaction. Spectra from FT-IR spectroscopic imaging of chemically heterogeneous samples are different from bulk spectra of individual chemical constituents of the sample. This is because spectra not only depend on chemistry, but also on the shape of the sample. Using coupled wave analysis, we characterize and quantify the nature of spectral distortions at the edges of tissues. Furthermore, we present a method of performing histological classification of tissue samples. Since the mid-infrared spectrum is typically assumed to be a quantitative measure of chemical composition, classification results can vary widely due to spectral distortions. However, we demonstrate that the selection of localized metrics based on chemical information can make our data robust to the spectral distortions caused by scattering at the tissue boundary.

Keywords: Infrared, Spectroscopy, Imaging, Tissue classification

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293 Characteristics of Turbulent Round Jets in its Potential-Core Region

Authors: S. Sivakumar, Ravikiran Sangras, Vasudevan Raghavan

Abstract:

In this work, stationary hot-wire measurements are carried out to investigate the characteristics of a round free jet in its potential core region (0 ≤ x/d ≤ 10). Measurements are carried out on an incompressible round jet for a range of Reynolds numbers from 4000 to 8000, calculated based on the jet exit mean velocity and the nozzle diameter. The effect of flow velocity on the development characteristics of the jet in the core region is analyzed. Timeaveraged statistics, spectra of velocity and its higher order moments are presented and explained.

Keywords: Contoured nozzle, hot-wire anemometer, Reynolds number, velocity fluctuations, velocity spectra.

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292 Silver Nanoparticles-Enhanced Luminescence Spectra of Silicon Nanocrystals

Authors: Khamael M. Abualnaja, Lidija Šiller, Benjamin R. Horrocks

Abstract:

Metal-enhanced Luminescence of silicon nanocrystals (SiNCs) was determined using two different particle sizes of silver nanoparticles (AgNPs). SiNCs have been characterized by scanning electron microscopy (SEM), high resolution transmission electron microscopy (HRTEM), Fourier transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS). It is found that the SiNCs are crystalline with an average diameter of 65 nm and FCC lattice. AgNPs were synthesized using photochemical reduction of AgNO3 with sodium dodecyl sulphate (SDS). The enhanced luminescence of SiNCs by AgNPs was evaluated by confocal Raman microspectroscopy. Enhancement up to x9 and x3 times were observed for SiNCs that mixed with AgNPs which have an average particle size of 100 nm and 30 nm, respectively. Silver NPs-enhanced luminescence of SiNCs occurs as a result of the coupling between the excitation laser light and the plasmon bands of AgNPs; thus this intense field at AgNPs surface couples strongly to SiNCs.

Keywords: Luminescence, Silicon Nanocrystals, Silver Nanoparticles, Surface Enhanced Raman Spectroscopy (SERS).

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291 A Simple Chemical Precipitation Method of Titanium Dioxide Nanoparticles Using Polyvinyl Pyrrolidone as a Capping Agent and Their Characterization

Authors: V. P. Muhamed Shajudheen, K. Viswanathan, K. Anitha Rani, A. Uma Maheswari, S. Saravana Kumar

Abstract:

In this paper, a simple chemical precipitation route for the preparation of titanium dioxide nanoparticles, synthesized by using titanium tetra isopropoxide as a precursor and polyvinyl pyrrolidone (PVP) as a capping agent, is reported. The Differential Scanning Calorimetry (DSC) and Thermo Gravimetric Analysis (TGA) of the samples were recorded and the phase transformation temperature of titanium hydroxide, Ti(OH)4 to titanium oxide, TiO2 was investigated. The as-prepared Ti(OH)4 precipitate was annealed at 800°C to obtain TiO2 nanoparticles. The thermal, structural, morphological and textural characterizations of the TiO2 nanoparticle samples were carried out by different techniques such as DSC-TGA, X-Ray Diffraction (XRD), Fourier Transform Infra-Red spectroscopy (FTIR), Micro Raman spectroscopy, UV-Visible absorption spectroscopy (UV-Vis), Photoluminescence spectroscopy (PL) and Field Effect Scanning Electron Microscopy (FESEM) techniques. The as-prepared precipitate was characterized using DSC-TGA and confirmed the mass loss of around 30%. XRD results exhibited no diffraction peaks attributable to anatase phase, for the reaction products, after the solvent removal. The results indicate that the product is purely rutile. The vibrational frequencies of two main absorption bands of prepared samples are discussed from the results of the FTIR analysis. The formation of nanosphere of diameter of the order of 10 nm, has been confirmed by FESEM. The optical band gap was found by using UV-Visible spectrum. From photoluminescence spectra, a strong emission was observed. The obtained results suggest that this method provides a simple, efficient and versatile technique for preparing TiO2 nanoparticles and it has the potential to be applied to other systems for photocatalytic activity.

Keywords: TiO2 nanoparticles, chemical precipitation route, phase transition, Fourier Transform Infra-Red spectroscopy, micro Raman spectroscopy, UV-Visible absorption spectroscopy, Photoluminescence spectroscopy, Field Effect Scanning Electron Microscopy.

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290 Sulfamonomethoxine-Induced Urinary Calculiin Pigs

Authors: Wei-Dong Sun, Ke-Chun Zhang, Jin-Yong Wang, Xiao-Long Wang

Abstract:

The authors report a case of swine urolithiasis caused by improper administration of sulfamonomethoxine and which was diagnosed by examination of urinary sediments and analyzing the composition of the uroliths. The chemical composition of urinary calculi obtained from affected pigs with urolithiasis was further confimed as sulfamonomethoxine by fourier transform infrared (FTIR). It is suggested that appearance of typical fanlike or wheat bunchy crystals in urinary sediments under observation of lightmicroscope and determination by FTIR for the crystals are helpful in diagnosing sulfa calculi causced swine urolithiasis.

Keywords: Calculi, pig, sulfamonomethoxine.

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289 Nullity of t-Tupple Graphs

Authors: Khidir R. Sharaf, Didar A. Ali

Abstract:

The nullity η(G) of a graph is the occurrence of zero as an eigenvalue in its spectra. A zero-sum weighting of a graph G is real valued function, say f from vertices of G to the set of real numbers, provided that for each vertex of G the summation of the weights f(w) over all neighborhood w of v is zero for each v in G.A high zero-sum weighting of G is one that uses maximum number of non-zero independent variables. If G is graph with an end vertex, and if H is an induced subgraph of G obtained by deleting this vertex together with the vertex adjacent to it, then, η(G)= η(H). In this paper, a high zero-sum weighting technique and the endvertex procedure are applied to evaluate the nullity of t-tupple and generalized t-tupple graphs are derived  and determined for some special types of graphs,

 Also, we introduce and prove some important results about the t-tupple coalescence, Cartesian and Kronecker products of nut graphs.

Keywords: Graph theory, Graph spectra, Nullity of graphs.

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288 The Emission Spectra Due to Exciton-Exciton Collisions in GaAs/AlGaAs Quantum Well System

Authors: Surendra K Pandey

Abstract:

Optical emission based on excitonic scattering processes becomes important in dense exciton systems in which the average distance between excitons is of the order of a few Bohr radii but still below the exciton screening threshold. The phenomena due to interactions among excited states play significant role in the emission near band edge of the material. The theory of two-exciton collisions for GaAs/AlGaAs quantum well systems is a mild attempt to understand the physics associated with the optical spectra due to excitonic scattering processes in these novel systems. The four typical processes considered give different spectral shape, peak position and temperature dependence of the emission spectra. We have used the theory of scattering together with the second order perturbation theory to derive the radiative power spontaneously emitted at an energy ħω by these processes. The results arrived at are purely qualitative in nature. The intensity of emitted light in quantum well systems varies inversely to the square of temperature, whereas in case of bulk materials it simply decreases with the  temperature.

Keywords: Exciton-Exciton Collisions, Excitonic Scattering Processes, Interacting Excitonic States, Quantum Wells.

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287 Preparation and Characterization of Self Assembled Gold Nanoparticles on Amino Functionalized SiO2 Dielectric Core

Authors: M.E.khosroshahi , M.S.Nourbakhsh

Abstract:

Wet chemistry methods are used to prepare the SiO2/Au nanoshells. The purpose of this research was to synthesize gold coated SiO2 nanoshells for biomedical applications. Tunable nanoshells were prepared by using different colloidal concentrations. The nanoshells are characterized by FTIR, XRD, UV-Vis spectroscopy and atomic force microscopy (AFM). The FTIR results confirmed the functionalization of the surfaces of silica nanoparticles with NH2 terminal groups. A tunable absorption was observed between 470-600 nm with a maximum range of 530-560 nm. Based on the XRD results three main peaks of Au (111), (200) and (220) were identified. Also AFM results showed that the silica core diameter was about 100 nm and the thickness of gold shell about 10 nm.

Keywords: Gold nanoshells, Synthesis, UV-vis spectroscopy, XRD, AFM

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286 Response of the Residential Building Structureon Load Technical Seismicity due to Mining Activities

Authors: V. Salajka, Z. Kaláb, J. Kala, P. Hradil

Abstract:

In the territories where high-intensity earthquakes are frequent is paid attention to the solving of the seismic problems. In the paper are described two computational model variants based on finite element method of the construction with different subsoil simulation (rigid or elastic subsoil) is used. For simulation and calculations program system based on method final elements ANSYS was used. Seismic responses calculations of residential building structure were effected on loading characterized by accelerogram for comparing with the responses spectra method.

Keywords: Accelerogram, ANSYS, mining induced seismic, residential building structure, spectra, subsoil.

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285 Plasmonic Absorption Enhancement in Au/CdS Nanocomposite

Authors: K. Easawi, M. Nabil, T. Abdallah, S. Negm, H. Talaat

Abstract:

Composite nanostructures of metal core/semiconductor shell (Au/CdS) configuration were prepared using organometalic method. UV-Vis spectra for the Au/CdS colloids show initially two well separated bands, corresponding to surface plasmon of the Au core, and the exciton of CdS shell. The absorption of CdS shell is enhanced, while the Au plasmon band is suppressed as the shell thickness increases. The shell sizes were estimated from the optical spectra using the effective mass approximation model (EMA), and compared to the sizes of the Au core and CdS shell measured by high resolution transmission electron microscope (HRTEM). The changes in the absorption features are discussed in terms of gradual increase in the coupling strength of the Au core surface plasmon and the exciton in the CdS. leading to charge transfer and modification of electron oscillation in Au core.

Keywords: Nanocomposites, Plasmonics.

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284 Proton-conducting PVA/PMA Hybrid Membranes for Fuel Cell Applications

Authors: Uma Thanganathan

Abstract:

The hybrid membranes containing inorganic materials in polymer matrix are identified as a remarkable family of proton conducting hybrid electrolytes. In this work, the proton conducting inorganic/organic hybrid membranes for proton exchange membrane fuel cells (PEMFCs) were prepared using polyvinyl alcohol (PVA), tetraethoxyorthosilane (TEOS) and heteropolyacid (HPA). The synthesized hybrid membranes were characterized by Fourier transform infrared spectroscopy (FTIR), X-ray diffraction spectroscopy (XRD), Scanning electron microscopy (SEM) and Thermogravimetry analysis (TGA). The effects of heteropolyacid incorporation on membrane properties, including morphology and thermal stability were extensively investigated.

Keywords: PEMFC, Hybrid membrane, FTIR, TGA, Phosphomolybdic acid

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283 Bug Localization on Single-Line Bugs of Apache Commons Math Library

Authors: Cherry Oo, Hnin Min Oo

Abstract:

Software bug localization is one of the most costly tasks in program repair technique. Therefore, there is a high claim for automated bug localization techniques that can monitor programmers to the locations of bugs, with slight human arbitration. Spectrum-based bug localization aims to help software developers to discover bugs rapidly by investigating abstractions of the program traces to make a ranking list of most possible buggy modules. Using the Apache Commons Math library project, we study the diagnostic accuracy using our spectrum-based bug localization metric. Our outcomes show that the greater performance of a specific similarity coefficient, used to inspect the program spectra, is mostly effective on localizing of single line bugs.

Keywords: Software testing, fault localization, program spectra.

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282 Efficacy of Combined CHAp and Lanthanum Carbonate in Therapy for Hyperphosphatemia

Authors: Andreea Cârâc, Elena Moroşan, Ana Corina Ioniță, Rica Boscencu, Geta Cârâc

Abstract:

Although, lanthanum carbonate has not been approved by the FDA for treatment of hyperphosphatemia, we prospectively evaluated the efficacy of the combination of Calcium hydroxyapatite (CHAp) and Lanthanum Carbonate (LaC) for the treatment of hyperphosphatemia on mice. CHAp was prepared by co-precipitation method using Ca(OH)2, H3PO4, NH4OH with calcination at 1200ºC. Lanthanum carbonate was prepared by chemical method using NaHCO3 and LaCl3 at low pH environment, below 4.0. The structures were characterized by FTIR spectra and SEM -EDX analysis. The study group included 16 subjects-mice divided into four groups according to the administered substance: lanthanum carbonate (group A), CHAp (group B), lanthanum carbonate + CHAp (group C) and salt water (group D). The results indicate a phosphate decrease when subjects (mice) were treated with CHAp and lanthanum carbonate (0.5% CMC), in a single dose of 1500 mg/kg. Serum phosphate concentration decreased [(from 4.5 ± 0.8 mg/dL) to 4.05 ± 0.2 mg/dL), P < 0.01] in group A and in group C (to 3.6 ± 0.2 mg/dL) at 12 hours from the administration. The combination of CHAp and lanthanum carbonate is a suitable regimen for hyperphosphatemia treatment because it avoids both the hypercalcemia of CaCO3 and the adverse effects of CHAp.

Keywords: Calcium hydroxyapatite, hyperphosphatemia, lanthanum carbonate, phosphatebinder, structures.

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281 Feasibility Investigation of Near Infrared Spectrometry for Particle Size Estimation of Nano Structures

Authors: A. Bagheri Garmarudi, M. Khanmohammadi, N. Khoddami, K. Shabani

Abstract:

Determination of nano particle size is substantial since the nano particle size exerts a significant effect on various properties of nano materials. Accordingly, proposing non-destructive, accurate and rapid techniques for this aim is of high interest. There are some conventional techniques to investigate the morphology and grain size of nano particles such as scanning electron microscopy (SEM), atomic force microscopy (AFM) and X-ray diffractometry (XRD). Vibrational spectroscopy is utilized to characterize different compounds and applied for evaluation of the average particle size based on relationship between particle size and near infrared spectra [1,4] , but it has never been applied in quantitative morphological analysis of nano materials. So far, the potential application of nearinfrared (NIR) spectroscopy with its ability in rapid analysis of powdered materials with minimal sample preparation, has been suggested for particle size determination of powdered pharmaceuticals. The relationship between particle size and diffuse reflectance (DR) spectra in near infrared region has been applied to introduce a method for estimation of particle size. Back propagation artificial neural network (BP-ANN) as a nonlinear model was applied to estimate average particle size based on near infrared diffuse reflectance spectra. Thirty five different nano TiO2 samples with different particle size were analyzed by DR-FTNIR spectrometry and the obtained data were processed by BP- ANN.

Keywords: near infrared, particle size, chemometrics, neuralnetwork, nano structure.

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280 Characterization of Lactose Consumption during the Biogas Production from Acid Whey by FT-IR Spectroscopy

Authors: K. Rugele, M. Gavare, M. Grube, K. Tihomirova, E. Skripsts, S. Larsson, J. Rubulis

Abstract:

The consumption of lactose in acid cheese whey anaerobic fermentation process under fed-batch conditions was studied. During fermentation for 100 hours the biogas production (CO2 and CH4) was analyzed online. Among the standard analyses FT-IR spectroscopy was used to follow the consumption of lactose by bacteria. The absorption bands at 990, 894 and 787 cm-1 in the 2nd derivative spectra were shown to be characteristic for lactose and were used to follow the lactose conversion. It was shown that acid cheese whey lactose was converted by bacteria in first 7 hours. In the spectra of 17, 18 and 95 hour fermentation samples lactose was not identified and these results correlated with the HPLC data.

Keywords: Acid whey, anaerobic digestion, biogas, FT-IR spectroscopy, lactose consumption.

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279 An Overview of the Application of Fuzzy Inference System for the Automation of Breast Cancer Grading with Spectral Data

Authors: Shabbar Naqvi, Jonathan M. Garibaldi

Abstract:

Breast cancer is one of the most frequent occurring cancers in women throughout the world including U.K. The grading of this cancer plays a vital role in the prognosis of the disease. In this paper we present an overview of the use of advanced computational method of fuzzy inference system as a tool for the automation of breast cancer grading. A new spectral data set obtained from Fourier Transform Infrared Spectroscopy (FTIR) of cancer patients has been used for this study. The future work outlines the potential areas of fuzzy systems that can be used for the automation of breast cancer grading.

Keywords: Breast cancer, FTIR, fuzzy inference system, principal component analysis

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278 Spectra Analysis in Sunset Color Demonstrations with a White-Color LED as a Light Source

Authors: Makoto Hasegawa, Seika Tokumitsu

Abstract:

Spectra of light beams emitted from white-color LED torches are different from those of conventional electric torches. In order to confirm if white-color LED torches can be used as light sources for popular sunset color demonstrations in spite of such differences, spectra of travelled light beams and scattered light beams with each of a white-color LED torch (composed of a blue LED and yellow-color fluorescent material) and a conventional electric torch as a light source were measured and compared with each other in a 50 cm-long water tank for sunset color demonstration experiments. Suspension liquid was prepared from acryl-emulsion and tap-water in the water tank, and light beams from the white-color LED torch or the conventional electric torch were allowed to travel in this suspension liquid. Sunset-like color was actually observed when the white-color LED torch was used as the light source in sunset color demonstrations. However, the observed colors when viewed with naked eye look slightly different from those obtainable with the conventional electric torch. At the same time, with the white-color LED, changes in colors in short to middle wavelength regions were recognized with careful observations. From those results, white-color LED torches are confirmed to be applicable as light sources in sunset color demonstrations, although certain attentions have to be paid. Further advanced classes will be successfully performed with white-color LED torches as light sources.

Keywords: Blue sky demonstration, sunset color demonstration, white LED torch.

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277 Computer Study of Cluster Mechanism of Anti-greenhouse Effect

Authors: A. Galashev

Abstract:

Absorption spectra of infra-red (IR) radiation of the disperse water medium absorbing the most important greenhouse gases: CO2 , N2O , CH4 , C2H2 , C2H6 have been calculated by the molecular dynamics method. Loss of the absorbing ability at the formation of clusters due to a reduction of the number of centers interacting with IR radiation, results in an anti-greenhouse effect. Absorption of O3 molecules by the (H2O)50 cluster is investigated at its interaction with Cl- ions. The splitting of ozone molecule on atoms near to cluster surface was observed. Interaction of water cluster with Cl- ions causes the increase of integrated intensity of emission spectra of IR radiation, and also essential reduction of the similar characteristic of Raman spectrum. Relative integrated intensity of absorption of IR radiation for small water clusters was designed. Dependences of the quantity of weight on altitude for vapor of monomers, clusters, droplets, crystals and mass of all moisture were determined. The anti-greenhouse effect of clusters was defined as the difference of increases of average global temperature of the Earth, caused by absorption of IR radiation by free water molecules forming clusters, and absorption of clusters themselves. The greenhouse effect caused by clusters makes 0.53 K, and the antigreenhouse one is equal to 1.14 K. The increase of concentration of CO2 in the atmosphere does not always correlate with the amplification of greenhouse effect.

Keywords: Greenhouse gases, infrared absorption and Raman spectra, molecular dynamics method, water clusters.

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276 Seismic Directionality Effects on In-Structure Response Spectra in Seismic Probabilistic Risk Assessment

Authors: S. Jarernprasert, E. Bazan-Zurita, P. C. Rizzo

Abstract:

Currently, seismic probabilistic risk assessments (SPRA) for nuclear facilities use In-Structure Response Spectra (ISRS) in the calculation of fragilities for systems and components. ISRS are calculated via dynamic analyses of the host building subjected to two orthogonal components of horizontal ground motion. Each component is defined as the median motion in any horizontal direction. Structural engineers applied the components along selected X and Y Cartesian axes. The ISRS at different locations in the building are also calculated in the X and Y directions. The choice of the directions of X and Y are not specified by the ground motion model with respect to geographic coordinates, and are rather arbitrarily selected by the structural engineer. Normally, X and Y coincide with the “principal” axes of the building, in the understanding that this practice is generally conservative. For SPRA purposes, however, it is desirable to remove any conservatism in the estimates of median ISRS. This paper examines the effects of the direction of horizontal seismic motion on the ISRS on typical nuclear structure. We also evaluate the variability of ISRS calculated along different horizontal directions. Our results indicate that some central measures of the ISRS provide robust estimates that are practically independent of the selection of the directions of the horizontal Cartesian axes.

Keywords: Seismic, Directionality, In-Structure Response Spectra, Probabilistic Risk Assessment.

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275 A Structural and Magnetic Investigation of the Inversion Degree in Spinel NiFe2O4, ZnFe2O4 and Ni0.5Zn0.5Fe2O4 Ferrites Prepared by Soft Mechanochemical Synthesis

Authors: Z. Ž. Lazarević, D. L. Sekulić, V. N. Ivanovski, N. Ž. Romčević

Abstract:

NiFe2O4 (nickel ferrite), ZnFe2O4 (zinc ferrite) and Ni0.5Zn0.5Fe2O4 (nickel-zinc ferrite) were prepared by mechanochemical route in a planetary ball mill starting from mixture of the appropriate quantities of the Ni(OH)2/Fe(OH)3, Zn(OH)2/Fe(OH)3 and Ni(OH)2/Zn(OH)2/Fe(OH)3 hydroxide powders. In order to monitor the progress of chemical reaction and confirm phase formation, powder samples obtained after 25 h, 18 h and 10 h of milling were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), IR, Raman and Mössbauer spectroscopy. It is shown that the soft mechanochemical method, i.e. mechanochemical activation of hydroxides, produces high quality single phase ferrite samples in much more efficient way. From the IR spectroscopy of single phase samples it is obvious that energy of modes depends on the ratio of cations. It is obvious that all samples have more than 5 Raman active modes predicted by group theory in the normal spinel structure. Deconvolution of measured spectra allows one to conclude that all complex bands in the spectra are made of individual peaks with the intensities that vary from spectrum to spectrum. The deconvolution of Raman spectra allows to separate contributions of different cations to a particular type of vibration and to estimate the degree of inversion.

Keywords: Ferrites, Raman spectroscopy, IR spectroscopy, Mössbauer measurements.

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274 Fast Wavelength Calibration Algorithm for Optical Spectrum Analyzers

Authors: Thomas Fuhrmann

Abstract:

In this paper an algorithm for fast wavelength calibration of Optical Spectrum Analyzers (OSAs) using low power reference gas spectra is proposed. In existing OSAs a reference spectrum with low noise for precise detection of the reference extreme values is needed. To generate this spectrum costly hardware with high optical power is necessary. With this new wavelength calibration algorithm it is possible to use a noisy reference spectrum and therefore hardware costs can be cut. With this algorithm the reference spectrum is filtered and the key information is extracted by segmenting and finding the local minima and maxima. Afterwards slope and offset of a linear correction function for best matching the measured and theoretical spectra are found by correlating the measured with the stored minima. With this algorithm a reliable wavelength referencing of an OSA can be implemented on a microcontroller with a calculation time of less than one second.

Keywords: correlation, gas reference, optical spectrum analyzer, wavelength calibration

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273 Theoretical Investigation of Carbazole-Based D-D-π-A Organic Dyes for Efficient Dye-Sensitized Solar Cell

Authors: S. Jungsuttiwong, R. Tarsang, S. Pansay, T. Yakhantip, V. Promarak, T. Sudyoadsuk, T. Kaewin, S. Saengsuwan, S. Namuangrak

Abstract:

In this paper, four carbazole-based D-D-π-A organic dyes code as CCT2A, CCT3A, CCT1PA and CCT2PA were reported. A series of these organic dyes containing identical donor and acceptor group but different π-system. The effect of replacing of thiophene by phenyl thiophene as π-system on the physical properties has been focused. The structural, energetic properties and absorption spectra were theoretically investigated by means of Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TD-DFT). The results show that nonplanar conformation due to steric hindrance in donor part (cabazolecarbazole unit) of dye molecule can prevent unfavorable dye aggregation. By means of the TD-DFT method, the absorption spectra were calculated by B3LYP and BHandHLYP to study the affect of hybrid functional on the excitation energy (Eg). The results revealed the increasing of thiophene units not only resulted in decreasing of Eg, but also found the shifting of absorption spectra to higher wavelength. TD-DFT/BHandHLYP calculated results are more strongly agreed with the experimental data than B3LYP functions. Furthermore, the adsorptions of CCT2A and CCT3A on the TiO2 anatase (101) surface were carried out by mean of the chemical periodic calculation. The result exhibit the strong adsorption energy. The calculated results provide our new organic dyes can be effectively used as dye for Dye Sensitized Solar Cell (DSC).

Keywords: Dye-Sensitized Solar cell, Carbarzole, TD-DFT, D-D-π-A organic dye

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272 Noise Performance Optimization of a Fast Wavelength Calibration Algorithm for OSAs

Authors: Thomas Fuhrmann

Abstract:

A new fast correlation algorithm for calibrating the wavelength of Optical Spectrum Analyzers (OSAs) was introduced in [1]. The minima of acetylene gas spectra were measured and correlated with saved theoretical data [2]. So it is possible to find the correct wavelength calibration data using a noisy reference spectrum. First tests showed good algorithmic performance for gas line spectra with high noise. In this article extensive performance tests were made to validate the noise resistance of this algorithm. The filter and correlation parameters of the algorithm were optimized for improved noise performance. With these parameters the performance of this wavelength calibration was simulated to predict the resulting wavelength error in real OSA systems. Long term simulations were made to evaluate the performance of the algorithm over the lifetime of a real OSA.

Keywords: correlation, gas reference, optical spectrum analyzer, wavelength calibration

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271 Effects of Irradiation to Morphological, Physicochemical and Biocompatibility Properties of Carrageenan

Authors: Jhalique Jane R. Fojas, Rizalinda L. De Leon, Lucille V. Abad

Abstract:

The characterization of κ-carrageenan could provide a better understanding of its functions in biological, medical and industrial applications. Chemical and physical analyses of carrageenan from seaweeds, Euchema cottonii L., were done to offer information on its properties and the effects of Co-60 γ-irradiation on its thermochemical characteristics. The structural and morphological characteristics of κ-carrageenan were determined using scanning electron microscopy (SEM) while the composition, molecular weight and thermal properties were determined using attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR), gel permeation chromatography (GPC), thermal gravimetric analysis (TGA) and differential scanning calorimetry (DSC). Further chemical analysis was done using hydrogen-1 nuclear magnetic resonance (1H NMR) and functional characteristics in terms of biocompatibility were evaluated using cytotoxicity test.

Keywords: Biocompatibility, carrageenan, DSC, FTIR, GPC, irradiation, NMR, physicochemical, SEM, TGA.

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270 Acoustic Noise Reduction in Single Phase SRM Drives by Random Switching Technique

Authors: Minh-Khai Nguyen, Young-Gook Jung, Young-Cheol Lim

Abstract:

It is known that if harmonic spectra are decreased, then acoustic noise also decreased. Hence, this paper deals with a new random switching strategy using DSP TMS320F2812 to decrease the harmonics spectra of single phase switched reluctance motor. The proposed method which combines random turn-on, turn-off angle technique and random pulse width modulation technique is shown. A harmonic spread factor (HSF) is used to evaluate the random modulation scheme. In order to confirm the effectiveness of the new method, the experimental results show that the harmonic intensity of output voltage for the proposed method is better than that for conventional methods.

Keywords: Single phase switched reluctance motor (SRM), harmonic spread factor (HSF), random switching technique.

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