WorldWideScience

Sample records for spectroscopy characterization tools

  1. Mössbauer and infrared spectroscopy as a diagnostic tool for the characterization of ferric tannates

    Science.gov (United States)

    Jaén, Juan A.; Navarro, César

    2009-07-01

    Fourier transform infrared spectroscopy and Mössbauer spectroscopy are use for the characterization and qualitative analysis of hydrolysable and condensed tannates. The two classes of tannates may be differentiated from the characteristic IR pattern. Mössbauer proof that a mixture of mono- and bis-type ferric tannate complexes, and an iron(II)-tannin complex are obtained from the interaction of hydrolysable tannins (tannic acid and chestnut tannin) and condensed tannins (mimosa and quebracho) with a ferric nitrate solution. At pH 7, a partially hydrolyzed ferric tannate complex was also obtained.

  2. Moessbauer and infrared spectroscopy as a diagnostic tool for the characterization of ferric tannates

    International Nuclear Information System (INIS)

    Jaen, Juan A.; Navarro, Cesar

    2009-01-01

    Fourier transform infrared spectroscopy and Moessbauer spectroscopy are use for the characterization and qualitative analysis of hydrolysable and condensed tannates. The two classes of tannates may be differentiated from the characteristic IR pattern. Moessbauer proof that a mixture of mono- and bis-type ferric tannate complexes, and an iron(II)-tannin complex are obtained from the interaction of hydrolysable tannins (tannic acid and chestnut tannin) and condensed tannins (mimosa and quebracho) with a ferric nitrate solution. At pH 7, a partially hydrolyzed ferric tannate complex was also obtained.

  3. Moessbauer and infrared spectroscopy as a diagnostic tool for the characterization of ferric tannates

    Energy Technology Data Exchange (ETDEWEB)

    Jaen, Juan A., E-mail: jjaen@ancon.up.ac.p [Universidad de Panama, Depto. de Quimica Fisica, CITEN, Lab. No. 105, Edificio de Laboratorios Cientificos-VIP (Panama); Navarro, Cesar [Universidad de Panama, Escuela de Quimica, Facultad de Ciencias Naturales, Exactas y Tecnologia (Panama)

    2009-07-15

    Fourier transform infrared spectroscopy and Moessbauer spectroscopy are use for the characterization and qualitative analysis of hydrolysable and condensed tannates. The two classes of tannates may be differentiated from the characteristic IR pattern. Moessbauer proof that a mixture of mono- and bis-type ferric tannate complexes, and an iron(II)-tannin complex are obtained from the interaction of hydrolysable tannins (tannic acid and chestnut tannin) and condensed tannins (mimosa and quebracho) with a ferric nitrate solution. At pH 7, a partially hydrolyzed ferric tannate complex was also obtained.

  4. Fluorescence spectroscopy: a tool to characterize humic substances in soil colonized by microorganisms?

    Czech Academy of Sciences Publication Activity Database

    Řezáčová, Veronika; Gryndler, Milan

    2006-01-01

    Roč. 51, č. 3 (2006), s. 215-221 ISSN 0015-5632 R&D Projects: GA ČR GA526/03/0188 Institutional research plan: CEZ:AV0Z50200510 Keywords : fluorescence spectroscopy * humic substances * microorganism Subject RIV: EE - Microbiology, Virology Impact factor: 0.963, year: 2006

  5. In-situ Raman spectroscopy as a characterization tool for carbon electrodes

    Energy Technology Data Exchange (ETDEWEB)

    Panitz, J -C; Joho, F B; Novak, P [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1999-08-01

    Lithium intercalation and de-intercalation into/from graphite electrodes in a nonaqueous electrolyte has been studied using in-situ Raman spectroscopy. Our experiments give information on the electrode-electrolyte interface with improved spatial resolution. The spectra taken from the electrode surface change with electrode potential. In this way, information on the nature of the chemical species present during charging and discharging half cycles is gained. For the first time, mapping techniques were applied to investigate if lithium intercalation proceeds homogeneously on the carbon electrode. (author) 3 figs., 1 tab., 4 refs.

  6. Micro-Raman spectroscopy as a tool for the characterization of silicon carbide in power semiconductor material processing

    Science.gov (United States)

    De Biasio, M.; Kraft, M.; Schultz, M.; Goller, B.; Sternig, D.; Esteve, R.; Roesner, M.

    2017-05-01

    Silicon carbide (SiC) is a wide band-gap semi-conductor material that is used increasingly for high voltage power devices, since it has a higher breakdown field strength and better thermal conductivity than silicon. However, in particular its hardness makes wafer processing difficult and many standard semi-conductor processes have to be specially adapted. We measure the effects of (i) mechanical processing (i.e. grinding of the backside) and (ii) chemical and thermal processing (i.e. doping and annealing), using confocal microscopy to measure the surface roughness of ground wafers and micro-Raman spectroscopy to measure the stresses induced in the wafers by grinding. 4H-SiC wafers with different dopings were studied before and after annealing, using depth-resolved micro-Raman spectroscopy to observe how doping and annealing affect: i.) the damage and stresses induced on the crystalline structure of the samples and ii.) the concentration of free electrical carriers. Our results show that mechanical, chemical and thermal processing techniques have effects on this semiconductor material that can be observed and characterized using confocal microscopy and high resolution micro Raman spectroscopy.

  7. Raman spectroscopy as a tool for the characterization and classification of pollen; Raman-Spektroskopie als Werkzeug fuer die Charakterisierung und Klassifizierung von Pollen

    Energy Technology Data Exchange (ETDEWEB)

    Schulte, Franziska

    2010-09-20

    The chemical composition of pollen, the physiological containers that produce the male gametophytes of seed plants, has been a subject of research of plant physiologists, biochemists, and lately even material scientists for various reasons. The aim of this work was the analysis of whole pollen grains and pollen components by Raman Spectroscopy. These experiments were complemented by other techniques such as Enviromental Scanning Electron Microscopy (ESEM), High-Performance- Thin-Layer-Chromatography (HPTLC), Infrared Spectroscopy (IR) and Nuclear-Magnetic-Resonance Spectroscopy (NMR). As reported here, individual fresh pollen grains and their morphological constituents can be characterized and also classified in situ without prior preparation. Classification of pollen is based on their biochemical fingerprint revealed in their Raman spectrum. Raman spectroscopy is nondestructive and can be carried out with single pollen grains or fragments. It could be shown that the biochemical makeup of the pollen (as a part of the recognition/mating system) is altered during formation of a new biological species and that the species-specific chemical similarities and dissimilarities indeed reflect in the Raman spectral fingerprint. On the basis of the chemical information, unsupervised multivariate analysis consisting of hierarchical clustering revealed in most cases chemical similarities between species that were indicative of both phylogenetic relationship and matin behavior. Therefore experiments were conducted that gave the in situ Raman spectroscopic signatures ot the carotenoid molecules. As the data indicates, the in situ Raman spectra of the carotenoid molecules measured in single intact pollen grains provide in situ evidence of interspecies variations in pollen carotenoid content, structure, and/or assembly without prior purification. Results from HPTLC confirmed that carotenoid composition varied greatly between species and that the different in situ spectral

  8. Infrared Spectroscopy as a Chemical Fingerprinting Tool

    Science.gov (United States)

    Huff, Timothy L.

    2003-01-01

    Infrared (IR) spectroscopy is a powerful analytical tool in the chemical fingerprinting of materials. Any sample material that will interact with infrared light produces a spectrum and, although normally associated with organic materials, inorganic compounds may also be infrared active. The technique is rapid, reproducible and usually non-invasive to the sample. That it is non-invasive allows for additional characterization of the original material using other analytical techniques including thermal analysis and RAMAN spectroscopic techniques. With the appropriate accessories, the technique can be used to examine samples in liquid, solid or gas phase. Both aqueous and non-aqueous free-flowing solutions can be analyzed, as can viscous liquids such as heavy oils and greases. Solid samples of varying sizes and shapes may also be examined and with the addition of microscopic IR (microspectroscopy) capabilities, minute materials such as single fibers and threads may be analyzed. With the addition of appropriate software, microspectroscopy can be used for automated discrete point or compositional surface area mapping, with the latter providing a means to record changes in the chemical composition of a material surface over a defined area. Due to the ability to characterize gaseous samples, IR spectroscopy can also be coupled with thermal processes such as thermogravimetric (TG) analyses to provide both thermal and chemical data in a single run. In this configuration, solids (or liquids) heated in a TG analyzer undergo decomposition, with the evolving gases directed into the IR spectrometer. Thus, information is provided on the thermal properties of a material and the order in which its chemical constituents are broken down during incremental heating. Specific examples of these varied applications will be cited, with data interpretation and method limitations further discussed.

  9. Tools for characterizing biomembranes : final LDRD report.

    Energy Technology Data Exchange (ETDEWEB)

    Alam, Todd Michael; Stevens, Mark; Holland, Gregory P.; McIntyre, Sarah K.

    2007-10-01

    A suite of experimental nuclear magnetic resonance (NMR) spectroscopy tools were developed to investigate lipid structure and dynamics in model membrane systems. By utilizing both multinuclear and multidimensional NMR experiments a range of different intra- and inter-molecular contacts were probed within the membranes. Examples on pure single component lipid membranes and on the canonical raft forming mixture of DOPC/SM/Chol are presented. A unique gel phase pretransition in SM was also identified and characterized using these NMR techniques. In addition molecular dynamics into the hydrogen bonding network unique to sphingomyelin containing membranes were evaluated as a function of temperature, and are discussed.

  10. Validating the Melusine Gamma Spectroscopy Tool

    Energy Technology Data Exchange (ETDEWEB)

    Erikson, Luke E.; Keillor, Martin E.; Stavenger, Timothy J.

    2013-11-26

    This technical report describes testing to evaluate the gamma spectroscopy tool, Melusine, under development by Pacific Northwest National Laboratory. The goal was to verify that the software can successfully be used to provide accurate results and statistical uncertainties for the detection of isotopes of interest and their activities. Of special interest were spectra similar to those produced by radionuclide stations that contribute to the Comprehensive Nuclear Test Ban Treaty Organization’s International Monitoring System. Two data sets were used to test Melusine’s capabilities. The first was the result of a multi-lab calibration effort based on neutron activations produced at the University of California at Davis. The second was taken from the Proficiency Test Exercises conducted by the CTBTO directly in 2005. In 37 of 42 cases, Melusine produced results in agreement with the best answer presently available, in most cases with calculated uncertainties comparable to or better than competing analyses. In fact, Melusine technically provided one more result than CTBTO’s PTE analyses that agreed with the “book answer” (Monte Carlo simulation). Despite these promising results, the Melusine software is still under development. Effort is especially needed to simplify its analysis process, improve stability, and provide user documentation. Some significant analysis tasks require further vetting, such as those to address summing effects. However, our test results indicate that Melusine’s calculations as presently implemented are sound and can be used to reliably analyze spectra from the CTBTO’s radionuclide stations.

  11. High field NMR spectroscopy and FTICR mass spectrometry: powerful discovery tools for the molecular level characterization of marine dissolved organic matter from the South Atlantic Ocean

    Science.gov (United States)

    Hertkorn, N.; Harir, M.; Koch, B. P.; Michalke, B.; Grill, P.; Schmitt-Kopplin, P.

    2012-01-01

    satisfactorily explain the observed disparity in NMR transverse relaxation of the four marine DOM samples. Likewise, the presence of metal ions in isolated marine DOM remained near constant or declined from surface to depth for important paramagnetic ions like Mn, Cr, Fe, Co, Ni and Cu. Iron in particular, a strong complexing paramagnetic ion, was found most abundant by a considerable margin in surface (FISH) marine DOM for which well resolved COSY cross peaks were observed. Hence, facile relationships between metal content of isolated DOM (which does not reflect authentic marine DOM metal content) and transverse NMR relaxation were not observed. High field (12 T) negative electrospray ionization FTICR mass spectra showed at first view rather conforming mass spectra for all four DOM samples with abundant CHO, CHNO, CHOS and CHNOS molecular series with slightly increasing numbers of mass peaks from surface to bottom DOM and similar fractions (~50%) of assigned molecular compositions throughout all DOM samples. The average mass increased from surface to bottom DOM by about 10 Dalton. The limited variance of FTICR mass spectra probably resulted from a rather inherent conformity of marine DOM at the mandatory level of intrinsic averaging provided by FTICR mass spectrometry, when many isomers unavoidably project on single nominal mass peaks. In addition, averaging from ion suppression added to the accordance observed. The proportion of CHO and CHNO molecular series increased from surface to depth whereas CHOS and especially CHNOS molecular series markedly declined. The abundance of certain aromatic CHOS compounds declined with water depth. For future studies, COSY NMR spectra appear best suited to assess organic molecular complexity of marine DOM and to define individual DOM molecules of yet unknown structure and function. Non-target organic structural spectroscopy at the level demonstrated here covered nearly all carbon present in marine DOM. The exhaustive characterization of

  12. Positron spectroscopy for materials characterization

    International Nuclear Information System (INIS)

    Schultz, P.J.; Snead, C.L. Jr.

    1988-01-01

    One of the more active areas of research on materials involves the observation and characterization of defects. The discovery of positron localization in vacancy-type defects in solids in the 1960's initiated a vast number of experimental and theoretical investigations which continue to this day. Traditional positron annihilation spectroscopic techniques, including lifetime studies, angular correlation, and Doppler broadening of annihilation radiation, are still being applied to new problems in the bulk properties of simple metals and their alloys. In addition new techniques based on tunable sources of monoenergetic positron beams have, in the last 5 years, expanded the horizons to studies of surfaces, thin films, and interfaces. In the present paper we briefly review these experimental techniques, illustrating with some of the important accomplishments of the field. 40 refs., 19 figs

  13. High-field NMR spectroscopy and FTICR mass spectrometry: powerful discovery tools for the molecular level characterization of marine dissolved organic matter

    Directory of Open Access Journals (Sweden)

    N. Hertkorn

    2013-03-01

    Full Text Available High-performance, non-target, high-resolution organic structural spectroscopy was applied to solid phase extracted marine dissolved organic matter (SPE-DOM isolated from four different depths in the open South Atlantic Ocean off the Angola coast (3° E, 18° S; Angola Basin and provided molecular level information with extraordinary coverage and resolution. Sampling was performed at depths of 5 m (Angola Current; near-surface photic zone, 48 m (Angola Current; fluorescence maximum, 200 m (still above Antarctic Intermediate Water, AAIW; upper mesopelagic zone and 5446 m (North Atlantic Deep Water, NADW; abyssopelagic, ~30 m above seafloor and produced SPE-DOM with near 40% carbon yield and beneficial nuclear magnetic resonance (NMR relaxation properties, a crucial prerequisite for the acquisition of NMR spectra with excellent resolution. 1H and 13C NMR spectra of all four marine SPE-DOM showed smooth bulk envelopes, reflecting intrinsic averaging from massive signal overlap, with a few percent of visibly resolved signatures and variable abundances for all major chemical environments. The abundance of singly oxygenated aliphatics and acetate derivatives in 1H NMR spectra declined from surface to deep marine SPE-DOM, whereas C-based aliphatics and carboxyl-rich alicyclic molecules (CRAM increased in abundance. Surface SPE-DOM contained fewer methyl esters than all other samples, likely a consequence of direct exposure to sunlight. Integration of 13C NMR spectra revealed continual increase of carboxylic acids and ketones from surface to depth, reflecting a progressive oxygenation, with concomitant decline of carbohydrate-related substructures. Aliphatic branching increased with depth, whereas the fraction of oxygenated aliphatics declined for methine, methylene and methyl carbon. Lipids in the oldest SPE-DOM at 5446 m showed a larger share of ethyl groups and methylene carbon than observed in the other samples. Two-dimensional NMR spectra showed

  14. Positron spectroscopy as an analytical tool in material sciences

    International Nuclear Information System (INIS)

    Pujari, P.K.

    2010-01-01

    Full text: Positron annihilation spectroscopy has emerged as a powerful tool in material sciences due to its ability to provide information about the electron momentum distribution and electron density in a given medium. These features help in identifying altered state of electronic rearrangements as one encounters in phase transitions. In addition, positrons prefer regions of lower electron density such as open volume defects i.e. vacancies or vacancy clusters in metals, alloys and semiconductors or free-volumes in molecular solids. Its sensitivity to defects is extremely high e.g. it can detect as small a defect as monovacancy to concentration as low as parts per million(ppm). Innovative nuclear instrumentation has helped in getting chemical specificity at the annihilation site. For example, precipitates, embedded, nanoparticles or element decorated vacancies can now be easily identified. This presentation is structured to introduce the technique and provide a global perspective on area of applications. Specific examples on defect characterization, nanostructure-property correlations in polymers, advantages of elemental specificity by indexing the core electron momentum will be given. In addition, slow positron beam based studies on nanostructured materials as well as particle accelerator based positron spectroscopy for volumetric assay of defects in large engineering samples will be presented

  15. Moessbauer spectroscopy as a tool in astrobiology

    Energy Technology Data Exchange (ETDEWEB)

    Schroeder, Christian, E-mail: schroedc@uni-mainz.de; Klingelhoefer, Goestar, E-mail: klingel@mail.uni-mainz.de [Johannes Gutenberg-Universitaet, Institut fuer Anorganische Chemie und Analytische Chemie (Germany); Bailey, Brad E., E-mail: bebailey@ucsd.edu; Staudigel, Hubert, E-mail: hstaudigel@ucsd.edu [University of California San Diego, Institute of Geophysics and Planetary Physics, Scripps Institution of Oceanography (United States)

    2005-11-15

    Two miniaturized Moessbauer spectrometers are part of the Athena instrument package of the NASA Mars Exploration Rovers, Spirit and Opportunity. The primary objectives of their science investigation are to explore two sites on the surface of Mars where water may once have been present, and to assess past environmental conditions at those sites and their suitability for life. Aqueous minerals - jarosite at Meridiani Planum, Opportunity's landing site, and goethite in the Columbia Hills in Gusev Crater, Spirit's landing site - were identified by Moessbauer spectroscopy, thus providing in situ proof of water being present at those sites in the past. The formation of jarosite in particular puts strong constraints on environmental conditions during the time of formation and hence on the evaluation of potential habitability. On Earth Moessbauer spectroscopy was used to investigate microbially induced changes in Fe oxidation states and mineralogy at the Loihi deep sea mount, a hydrothermal vent system, which might serve as an analogue for potential habitats in the Martian subsurface and the sub-ice ocean of Jupiter's icy moon Europa.

  16. Moessbauer spectroscopy as a tool in astrobiology

    International Nuclear Information System (INIS)

    Schroeder, Christian; Klingelhoefer, Goestar; Bailey, Brad E.; Staudigel, Hubert

    2005-01-01

    Two miniaturized Moessbauer spectrometers are part of the Athena instrument package of the NASA Mars Exploration Rovers, Spirit and Opportunity. The primary objectives of their science investigation are to explore two sites on the surface of Mars where water may once have been present, and to assess past environmental conditions at those sites and their suitability for life. Aqueous minerals - jarosite at Meridiani Planum, Opportunity's landing site, and goethite in the Columbia Hills in Gusev Crater, Spirit's landing site - were identified by Moessbauer spectroscopy, thus providing in situ proof of water being present at those sites in the past. The formation of jarosite in particular puts strong constraints on environmental conditions during the time of formation and hence on the evaluation of potential habitability. On Earth Moessbauer spectroscopy was used to investigate microbially induced changes in Fe oxidation states and mineralogy at the Loihi deep sea mount, a hydrothermal vent system, which might serve as an analogue for potential habitats in the Martian subsurface and the sub-ice ocean of Jupiter's icy moon Europa.

  17. NMR spectroscopy: a tool for conformational analysis

    International Nuclear Information System (INIS)

    Tormena, Claudio F.; Cormanich, Rodrigo A.; Rittner, Roberto; Freitas, Matheus P.

    2011-01-01

    The present review deals with the application of NMR data to the conformational analysis of simple organic compounds, together with other experimental methods like infrared spectroscopy and with theoretical calculations. Each sub-section describes the results for a group of compounds which belong to a given organic function like ketones, esters, etc. Studies of a single compound, even of special relevance, were excluded since the main goal of this review is to compare the results for a given function, where different substituents were used or small structural changes were introduced in the substrate, in an attempt to disclose their effects in the conformational equilibrium. Moreover, the huge amount of data available in the literature, on this research field, imposed some limitations which will be detailed in the Introduction, but it can be reminded in advance that these limitations include mostly the period when these results were published. (author)

  18. Iron oxides characterization by Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Basurto Sanchez, R.

    1993-01-01

    In this work rust development on low carbon wire surface after the conformation process at different temperatures was studied by Moessbauer spectroscopy. The characterization was made by determining the following spectral parameters; 1) Quadrupole splitting, 2) Isomer shift, and 3) Magnetic splitting. The area quantification determined the percentage amount of three different iron oxides. These iron oxides were: a) Wustite (Fe O), b) Hematite (Fe 2 O 3 ), and c) Magnetite (Fe 3 O 4 ) which were present in the rust studied. With the results it was possible to establish the best temperature to favor the development of each of these iron oxides. (Author)

  19. Geometrical characterization of micro end milling tools

    DEFF Research Database (Denmark)

    Borsetto, Francesca; Bariani, Paolo; Bissacco, Giuliano

    2005-01-01

    Performance of the milling process is directly affected by the accuracy of tool geometry. Development of methods suitable for dimensional characterization of such tools, with low measurement uncertainties is therefore of relevance. The present article focuses on the geometrical characterization...... of a flat micro end milling tool with a nominal mill diameter of 200 microns. An experimental investigation was carried out involving two different non-contact systems...

  20. Characterization of Kevlar Using Raman Spectroscopy

    Science.gov (United States)

    Washer, Glenn; Brooks, Thomas; Saulsberry, Regor

    2007-01-01

    This paper explores the characterization of Kevlar composite materials using Raman spectroscopy. The goal of the research is to develop and understand the Raman spectrum of Kevlar materials to provide a foundation for the development of nondestructive evaluation (NDE) technologies based on the interaction of laser light with the polymer Kevlar. The paper discusses the fundamental aspects of experimental characterization of the spectrum of Kevlar, including the effects of incident wavelength, polarization and laser power. The effects of environmental exposure of Kevlar materials on certain characteristics of its Raman spectrum are explored, as well as the effects of applied stress. This data may provide a foundation for the development of NDE technologies intended to detect the in-situ deterioration of Kevlar materials used for engineering applications that can later be extended to other materials such as carbon fiber composites.

  1. Spectroscopy as a diagnostic tool for urban soil contaminants

    Science.gov (United States)

    Brook, Anna; Kopel, Daniella

    2014-05-01

    Urbanization has become one of the major forces of change around the globe. Land use transformation, especially urbanization has the most profound influences of human activities because it affects so many of the planet's physical and biological systems. Land use changes directly impact the ability of the earth to continue to provide ecological services to human society and the other occupants of the ecosystems. The urban process gradually degrades and transforms agricultural and natural ecosystems into built environments. The urban environment includes cities, suburbs, peri-urban areas and towns. Urban ecosystems are highly heterogeneous due to the variety of land covers and land purposes. Thus, the choices on managing the extent and arranging the land cover patches (e.g., lawns) assist to shape the emergent structure and function of the urban ecosystems. As a result of ecological conditions and current management status the urban soils show substantial spatial heterogeneity. Whereas, adverse effects of pollutants on ecosystems have been demonstrated, one important need for environmental impact assessment have been defined as maintenance of long-term monitoring systems, which can enable to improve monitoring, modelling and assessment of various stressors in agriculture environment. Diffuse reflectance spectroscopy and diffuse reflectance Fourier-transform infrared (FTIR) spectroscopy across visible-near- short- mid- and long- wave infrared (0.4-14μm) has the potential to meet this demand. Relationships between spectral reflectance and soil properties, such as grain size distribution, moisture, iron oxides, carbonate content, and organic matter, have already been established in many studies (Krishnan et al. 1980, Ben-Dor and Banin 1995, Jarmer et al. 2008, Richter et al. 2009). The aims of this study are to develop diagnostic tool for heavy metals, polycyclic aromatic hydrocarbons, asbestos and other anthropogenic contaminants in urban soil using spectroscopy

  2. Characterization of UO2 by infrared spectroscopy

    International Nuclear Information System (INIS)

    Faeda, Kelly C.M.; Machado, Geraldo C.; Lameiras, Fernando S.

    2011-01-01

    The characterization of nuclear fuel is of great importance to minimize the effects related to burnup and temperature and to achieve stability during in-core operation. The understanding the U-O system and its thermodynamic properties has fundamental importance in nuclear industry. Many physical properties of UO 2±x depend on the ratio O / U, such as the electrical conductivity and thermal properties, as well as the diffusivities of its constituents and solutes. The U-O system presents various oxides such as UO 2±x , U 4 O 9 , U 3 O 8 , and UO 3 . The control of the O/U relation is critical to the manufacturing process of UO 2 . In this work, the infrared spectroscopy was used to identify the presence of phases in UO 2 powder samples that cannot be identified by thermogravimetry and X-ray diffraction. (author)

  3. Analysis Tools for Next-Generation Hadron Spectroscopy Experiments

    Science.gov (United States)

    Battaglieri, M.; Briscoe, B. J.; Celentano, A.; Chung, S.-U.; D'Angelo, A.; De Vita, R.; Döring, M.; Dudek, J.; Eidelman, S.; Fegan, S.; Ferretti, J.; Filippi, A.; Fox, G.; Galata, G.; García-Tecocoatzi, H.; Glazier, D. I.; Grube, B.; Hanhart, C.; Hoferichter, M.; Hughes, S. M.; Ireland, D. G.; Ketzer, B.; Klein, F. J.; Kubis, B.; Liu, B.; Masjuan, P.; Mathieu, V.; McKinnon, B.; Mitchel, R.; Nerling, F.; Paul, S.; Peláez, J. R.; Rademacker, J.; Rizzo, A.; Salgado, C.; Santopinto, E.; Sarantsev, A. V.; Sato, T.; Schlüter, T.; [Silva]da Silva, M. L. L.; Stankovic, I.; Strakovsky, I.; Szczepaniak, A.; Vassallo, A.; Walford, N. K.; Watts, D. P.; Zana, L.

    The series of workshops on New Partial-Wave Analysis Tools for Next-Generation Hadron Spectroscopy Experiments was initiated with the ATHOS 2012 meeting, which took place in Camogli, Italy, June 20-22, 2012. It was followed by ATHOS 2013 in Kloster Seeon near Munich, Germany, May 21-24, 2013. The third, ATHOS3, meeting is planned for April 13-17, 2015 at The George Washington University Virginia Science and Technology Campus, USA. The workshops focus on the development of amplitude analysis tools for meson and baryon spectroscopy, and complement other programs in hadron spectroscopy organized in the recent past including the INT-JLab Workshop on Hadron Spectroscopy in Seattle in 2009, the International Workshop on Amplitude Analysis in Hadron Spectroscopy at the ECT*-Trento in 2011, the School on Amplitude Analysis in Modern Physics in Bad Honnef in 2011, the Jefferson Lab Advanced Study Institute Summer School in 2012, and the School on Concepts of Modern Amplitude Analysis Techniques in Flecken-Zechlin near Berlin in September 2013. The aim of this document is to summarize the discussions that took place at the ATHOS 2012 and ATHOS 2013 meetings. We do not attempt a comprehensive review of the field of amplitude analysis, but offer a collection of thoughts that we hope may lay the ground for such a document.

  4. Analysis Tools for Next-Generation Hadron Spectroscopy Experiments

    International Nuclear Information System (INIS)

    Battaglieri, Marco; Briscoe, William; Celentano, Andrea; Chung, Suh-Urk; D'Angelo, Annalisa; De Vita, Rafaella; Döring, Michael; Dudek, Jozef; Eidelman, S.; Fegan, Stuart; Ferretti, J.; Filippi, A.; Fox, G.; Galata, G.; Garcia-Tecocoatzi, H.; Glazier, Derek; Grube, B.; Hanhart, C.; Hoferichter, M.; Hughes, S. M.; Ireland, David G.; Ketzer, B.; Klein, Franz J.; Kubis, B.; Liu, B.; Masjuan, P.; Mathieu, Vincent; McKinnon, Brian; Mitchel, R.; Nerling, F.; Paul, S.; Peláez, J. R.; Rademacker, J.; Rizzo, Alessandro; Salgado, Carlos; Santopinto, E.; Sarantsev, Andrey V.; Sato, Toru; Schlüter, T.; Da Silva, M. L.L.; Stankovic, I.; Strakovsky, Igor; Szczepaniak, Adam; Vassallo, A.; Walford, Natalie K.; Watts, Daniel P.

    2015-01-01

    The series of workshops on New Partial-Wave Analysis Tools for Next-Generation Hadron Spectroscopy Experiments was initiated with the ATHOS 2012 meeting, which took place in Camogli, Italy, June 20-22, 2012. It was followed by ATHOS 2013 in Kloster Seeon near Munich, Germany, May 21-24, 2013. The third, ATHOS3, meeting is planned for April 13-17, 2015 at The George Washington University Virginia Science and Technology Campus, USA. The workshops focus on the development of amplitude analysis tools for meson and baryon spectroscopy, and complement other programs in hadron spectroscopy organized in the recent past including the INT-JLab Workshop on Hadron Spectroscopy in Seattle in 2009, the International Workshop on Amplitude Analysis in Hadron Spectroscopy at the ECT*-Trento in 2011, the School on Amplitude Analysis in Modern Physics in Bad Honnef in 2011, the Jefferson Lab Advanced Study Institute Summer School in 2012, and the School on Concepts of Modern Amplitude Analysis Techniques in Flecken-Zechlin near Berlin in September 2013. The aim of this document is to summarize the discussions that took place at the ATHOS 2012 and ATHOS 2013 meetings. We do not attempt a comprehensive review of the field of amplitude analysis, but offer a collection of thoughts that we hope may lay the ground for such a document

  5. GEAS Spectroscopy Tools for Authentic Research Investigations in the Classroom

    Science.gov (United States)

    Rector, Travis A.; Vogt, Nicole P.

    2018-06-01

    Spectroscopy is one of the most powerful tools that astronomers use to study the universe. However relatively few resources are available that enable undergraduates to explore astronomical spectra interactively. We present web-based applications which guide students through the analysis of real spectra of stars, galaxies, and quasars. The tools are written in HTML5 and function in all modern web browsers on computers and tablets. No software needs to be installed nor do any datasets need to be downloaded, enabling students to use the tools in or outside of class (e.g., for online classes).Approachable GUIs allow students to analyze spectra in the same manner as professional astronomers. The stellar spectroscopy tool can fit a continuum with a blackbody and identify spectral features, as well as fit line profiles and determine equivalent widths. The galaxy and AGN tools can also measure redshifts and calcium break strengths. The tools provide access to an archive of hundreds of spectra obtained with the optical telescopes at Kitt Peak National Observatory. It is also possible to load your own spectra or to query the Sloan Digital Sky Survey (SDSS) database.We have also developed curricula to investigate these topics: spectral classification, variable stars, redshift, and AGN classification. We will present the functionality of the tools and describe the associated curriculum. The tools are part of the General Education Astronomy Source (GEAS) project based at New Mexico State University, with support from the National Science Foundation (NSF, AST-0349155) and the National Aeronautics and Space Administration (NASA, NNX09AV36G). Curriculum development was supported by the NSF (DUE-0618849 and DUE-0920293).

  6. Surface science tools for nanomaterials characterization

    CERN Document Server

    2015-01-01

    Fourth volume of a 40volume series on nano science and nanotechnology, edited by the renowned scientist Challa S.S.R. Kumar. This handbook gives a comprehensive overview about Surface Science Tools for Nanomaterials Characterization. Modern applications and state-of-the-art techniques are covered and make this volume an essential reading for research scientists in academia and industry.

  7. High-Resolution Solid-State NMR Spectroscopy: Characterization of Polymorphism in Cimetidine, a Pharmaceutical Compound

    Science.gov (United States)

    Pacilio, Julia E.; Tokarski, John T.; Quiñones, Rosalynn; Iuliucci, Robbie J.

    2014-01-01

    High-resolution solid-state NMR (SSNMR) spectroscopy has many advantages as a tool to characterize solid-phase material that finds applications in polymer chemistry, nanotechnology, materials science, biomolecular structure determination, and others, including the pharmaceutical industry. The technology associated with achieving high resolution…

  8. Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Hellman, Hal

    1968-01-01

    This booklet discusses spectroscopy, the study of absorption of radiation by matter, including X-ray, gamma-ray, microwave, mass spectroscopy, as well as others. Spectroscopy has produced more fundamental information to the study of the detailed structure of matter than any other tools.

  9. Materials characterization by resonant ultrasonic spectroscopy method

    International Nuclear Information System (INIS)

    Cheong, Yong Moo; Jung, H.K.; Joo, Y.S.; Sim, C.M.

    2001-01-01

    A high temperature resonant ultrasound spectroscopy(RUS) was developed. The dynamic elastic constant of RPV weld, which has various different microstructure was determined by RUS. It was confirmed the RUS method is very sensitive to the microstructures of the material. RUS can be used to monitor the degradation of nuclear materials including neutron irradiation embrittlement through the measurement of dynamic elastic constants, elastic anisotropy, high temperature elastic constant and Q-factor

  10. Characterizing Exoplanet Habitability with Emission Spectroscopy

    Science.gov (United States)

    Robinson, Tyler

    2018-01-01

    Results from NASA’s Kepler mission and other recent exoplanet surveys have demonstrated that potentially habitable exoplanets are relatively common, especially in the case of low-mass stellar hosts. The next key question that must be addressed for such planets is whether or not these worlds are actually habitable, implying they could sustain surface liquid water. Only through investigations of the potential habitability of exoplanets and through searches for biosignatures from these planets will we be able to understand if the emergence of life is a common phenomenon in our galaxy. Emission spectroscopy for transiting exoplanets (sometimes called secondary eclipse spectroscopy) is a powerful technique that future missions will use to study the atmospheres and surfaces of worlds orbiting in the habitable zones of nearby, low-mass stars. Emission observations that span the mid-infrared wavelength range for potentially habitable exoplanets provide opportunities to detect key habitability and life signatures, and also allow observers to probe atmospheric and surface temperatures. This presentation will outline the case for using emission spectroscopy to understand if an exoplanet can sustain surface liquid water, which is believed to be a critical precursor to the origin of life.

  11. Applications of the Raman spectroscopy in the materials characterization

    International Nuclear Information System (INIS)

    Jimenez S, S.; Escobar A, L.; Camacho L, M. A.

    2011-01-01

    The study field of the science and technology of surfaces and materials have been of primordial importance in the last years due to the impact that they have the knowledge that it generates in diverse areas. For this reason, the Mexican Society of Science and Technology of Surfaces and Materials has focused a good part of their investigation activities toward the materials science and technology development. Inside the investigation fields carried out by members of this Society, are the following: semiconductors, thin films, hard coatings, deposit techniques, plasmas, biomaterials, Ab-initio calculations, characterization techniques, photo-thermal properties, solar cells, nano science, magnetism, superconductivity and related topics. Among the techniques used for this purpose is the Raman Spectroscopy (Rs), which has demonstrated to be a powerful and versatile tool in the materials study. In the last three congresses that the Society has organized, an average of 42 works related with this topic have been presented, what gave the rule to prepare this book whose objective is on one hand diffusing part of the works that carry out different groups integrated with members of the Society that use the Rs like an important tool in its investigation work. A second objective is that it can serve like support to the students that begin to be involved, or that they are already involved, in topics where the Rs can have a decisive paper in the development of its projects. It is also expected that some of the topics included in the book are of utility for professors and researches that already uses the Rs, or that it can be of help for those who are beginning in this technique as alternative or like complementary analysis tool. (Author)

  12. Scanning Angle Raman spectroscopy in polymer thin film characterization

    Energy Technology Data Exchange (ETDEWEB)

    Nguyen, Vy H.T. [Iowa State Univ., Ames, IA (United States)

    2015-12-19

    The focus of this thesis is the application of Raman spectroscopy for the characterization of thin polymer films. Chapter 1 provides background information and motivation, including the fundamentals of Raman spectroscopy for chemical analysis, scanning angle Raman scattering and scanning angle Raman scattering for applications in thin polymer film characterization. Chapter 2 represents a published manuscript that focuses on the application of scanning angle Raman spectroscopy for the analysis of submicron thin films with a description of methodology for measuring the film thickness and location of an interface between two polymer layers. Chapter 3 provides an outlook and future directions for the work outlined in this thesis. Appendix A, contains a published manuscript that outlines the use of Raman spectroscopy to aid in the synthesis of heterogeneous catalytic systems. Appendix B and C contain published manuscripts that set a foundation for the work presented in Chapter 2.

  13. Characterization of alkali silica reaction gels using Raman spectroscopy

    International Nuclear Information System (INIS)

    Balachandran, C.; Muñoz, J.F.; Arnold, T.

    2017-01-01

    The ability of Raman spectroscopy to characterize amorphous materials makes this technique ideal to study alkali silica reaction (ASR) gels. The structure of several synthetic ASR gels was thoroughly characterized using Raman Spectroscopy. The results were validated with additional techniques such as Fourier transmission infrared spectroscopy, X-ray powder diffraction and thermogravimetric analysis. The Raman spectra were found to have two broad bands in the 800 to 1200 cm −1 range and the 400 to 700 cm −1 range indicating the amorphous nature of the gel. Important information regarding the silicate polymerization was deduced from both of these spectral regions. An increase in alkali content of the gels caused a depolymerization in the silicate framework which manifested in the Raman spectra as a gradual shift of predominant peaks in both regions. The trends in silicate depolymerization were in agreement with results from a NMR spectroscopy study on similar synthetic ASR gels.

  14. Characterizing aeroallergens by infrared spectroscopy of fungal spores and pollen.

    Directory of Open Access Journals (Sweden)

    Boris Zimmermann

    Full Text Available Fungal spores and plant pollen cause respiratory diseases in susceptible individuals, such as asthma, allergic rhinitis and hypersensitivity pneumonitis. Aeroallergen monitoring networks are an important part of treatment strategies, but unfortunately traditional analysis is time consuming and expensive. We have explored the use of infrared spectroscopy of pollen and spores for an inexpensive and rapid characterization of aeroallergens.The study is based on measurement of spore and pollen samples by single reflectance attenuated total reflectance Fourier transform infrared spectroscopy (SR-ATR FTIR. The experimental set includes 71 spore (Basidiomycota and 121 pollen (Pinales, Fagales and Poales samples. Along with fresh basidiospores, the study has been conducted on the archived samples collected within the last 50 years.The spectroscopic-based methodology enables clear spectral differentiation between pollen and spores, as well as the separation of confamiliar and congeneric species. In addition, the analysis of the scattering signals inherent in the infrared spectra indicates that the FTIR methodology offers indirect estimation of morphology of pollen and spores. The analysis of fresh and archived spores shows that chemical composition of spores is well preserved even after decades of storage, including the characteristic taxonomy-related signals. Therefore, biochemical analysis of fungal spores by FTIR could provide economical, reliable and timely methodologies for improving fungal taxonomy, as well as for fungal identification and monitoring. This proof of principle study shows the potential for using FTIR as a rapid tool in aeroallergen studies. In addition, the presented method is ready to be immediately implemented in biological and ecological studies for direct measurement of pollen and spores from flowers and sporocarps.

  15. Characterization of Hydrogen Bonds by IR Spectroscopy

    Directory of Open Access Journals (Sweden)

    Vojta, D.

    2012-05-01

    Full Text Available In the identification and quantification of hydrogen bond, as one of the most abundant non-covalent interactions in phenomena like self-assembly and molecular recognition, IR spectrosopy has been employed as the most sensitive method. The performance of the high dilution method enables determination of the stability constant of hydrogen-bonded complex as one of the most important thermodynamic quantities used in their characterization. However, the alleged experimental simplicity of the mentioned method is loaded with errors originating not only from researcher intervention but also independent from it. The second source of error is particularly emphasized and elaborated in this paper, which is designed as the recipe for the successful characterization of hydrogen bonds. Besides the enumeration of all steps in the determination of hydrogen-bonded stability constants, the reader can be acquainted with the most important ex perimental conditions that should be fulfilled in order to minimize the naturally occurring errors in this type of investigation. In the spectral analysis, the application of both uni- and multivariate approach has been discussed. Some computer packages, considering the latter, are mentioned, described, and recommended. KUI -10/2012Received August 1, 2011Accepted October 24, 2011

  16. Characterization of Egyptian coal from Sinai using Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Eissa, N.A.; Abdel Meguid, M.M.; Deriu, A.; Albanese, G.

    1983-08-01

    The presence of iron bearing minerals in coal makes the Moessbauer Spectroscopy (MS) extremely useful for characterization of coals from different localities. In this paper the MS has been applied to characterize Egyptian coal from Sinai (Maghara). The chemical analysis of this coal is given. The MS results showed that pyritic sulphur (pyrite and marcasite) is the only bearing mineral in Egyptian coal. A review is given for the iron bearing minerals in coals from different countries measured by MS. (author)

  17. Spectroscopy as a diagnostic tool for urban soil

    Science.gov (United States)

    Brook, Anna; Kopel, Daniella; Wittenberg, Lea

    2015-04-01

    Anthropogenic urban soil are the foundation of the urban green infrastructure, the green net quality is as good as each of its patches. In early days of pedology urban soil has been recognized with respect to contamination and the risks for human health but in study performed since the 70s, the importance of urban soil for the urban ecology became increasingly significant (Gómez-Baggethun and Barton 2013). Urban soils are highly disturbed land that was created by the process of urbanization. The dominant agent in the creation of urban soils is human activity which modifies the natural soil through mixing, filling or by contamination of land surfaces so as to create a layer of urban soil which can be more than 50 cm thick (Pavao-Zuckerman 2008). The objective of this study is to determine the extent to which field spectroscopy methods can be used to extend the knowledge of urban soils features and components. The majority of the studies on urban soils concentrate on identifying and mapping of pollution mostly heavy metals. In this study a top-down analysis is developed - a simple and intuitive spectral feature for detecting the presence of minerals, organic matter and pollutants in mixed soil samples. The developed method uses spectral activity (SA) detection in a structured hierarchical approach to quickly and, more importantly, correctly identify dominant spectral features. The developed method is adopted by multiple in-production tools including continuum removal normalization, guided by polynomial generalization, and spectral-likelihood algorithms: orthogonal subspace projection (OSP) and iterative spectral mixture analysis (ISMA) were compared to feature likelihood methods (Li et al. 2014). Results of the proposed top-down unmixing method suggest that the analysis is made very fast due to the simplified hierarchy which avoids the high-learning curve associated with unmixing algorithms showed that the most abundant components were coarse organic matter 12

  18. Characterization Of Cobalt-Exchanged Zeolite A By DRIFT Spectroscopy

    Science.gov (United States)

    Kappers, M. J.; van der Maas, John H.; Chalmers, J. M.; Howard, J.

    1989-12-01

    In-situ DRIFT spectroscopy has been succesfully used for the characterization of Co4Na4-A. Dehydration of the zeolite A appears to involve formation and breakdown of hydration complexes and hydrolysis. The position of cations and hydroxyl groups within the zeolite structure was derived from the adsorption of carbon monoxide and acetonitrile.

  19. Vibrational spectroscopy: a clinical tool for cancer diagnostics.

    Science.gov (United States)

    Kendall, Catherine; Isabelle, Martin; Bazant-Hegemark, Florian; Hutchings, Joanne; Orr, Linda; Babrah, Jaspreet; Baker, Rebecca; Stone, Nicholas

    2009-06-01

    Vibrational spectroscopy techniques have demonstrated potential to provide non-destructive, rapid, clinically relevant diagnostic information. Early detection is the most important factor in the prevention of cancer. Raman and infrared spectroscopy enable the biochemical signatures from biological tissues to be extracted and analysed. In conjunction with advanced chemometrics such measurements can contribute to the diagnostic assessment of biological material. This paper also illustrates the complementary advantage of using Raman and FTIR spectroscopy technologies together. Clinical requirements are increasingly met by technological developments which show promise to become a clinical reality. This review summarises recent advances in vibrational spectroscopy and their impact on the diagnosis of cancer.

  20. Characterizing aging effects of lithium ion batteries by impedance spectroscopy

    International Nuclear Information System (INIS)

    Troeltzsch, Uwe; Kanoun, Olfa; Traenkler, Hans-Rolf

    2006-01-01

    Impedance spectroscopy is one of the most promising methods for characterizing aging effects of portable secondary batteries online because it provides information about different aging mechanisms. However, application of impedance spectroscopy 'in the field' has some higher requirements than for laboratory experiments. It requires a fast impedance measurement process, an accurate model applicable with several batteries and a robust method for model parameter estimation. In this paper, we present a method measuring impedance at different frequencies simultaneously. We propose to use a composite electrode model, capable to describe porous composite electrode materials. A hybrid method for parameter estimation based on a combination of evolution strategy and Levenberg-Marquardt method allowed a robust and fast parameter calculation. Based on this approach, an experimental investigation of aging effects of a lithium ion battery was carried out. After 230 discharge/charge cycles, the battery showed a 14% decreased capacity. Modeling results show that series resistance, charge transfer resistance and Warburg coefficient changed thereby their values by approximately 60%. A single frequency impedance measurement, usually carried out at 1 kHz, delivers only information about series resistance. Impedance spectroscopy allows additionally the estimation of charge transfer resistance and Warburg coefficient. This fact and the high sensitivity of model parameters to capacity change prove that impedance spectroscopy together with an accurate modeling deliver information that significantly improve characterization of aging effects

  1. Characterizing aging effects of lithium ion batteries by impedance spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Troeltzsch, Uwe [University of the Bundeswehr Munich Institute for Measurement and Automation, 85579 Neubiberg (Germany)]. E-mail: uwe.troeltzsch@unibw-muenchen.de; Kanoun, Olfa [University of the Bundeswehr Munich Institute for Measurement and Automation, 85579 Neubiberg (Germany); Traenkler, Hans-Rolf [University of the Bundeswehr Munich Institute for Measurement and Automation, 85579 Neubiberg (Germany)

    2006-01-20

    Impedance spectroscopy is one of the most promising methods for characterizing aging effects of portable secondary batteries online because it provides information about different aging mechanisms. However, application of impedance spectroscopy 'in the field' has some higher requirements than for laboratory experiments. It requires a fast impedance measurement process, an accurate model applicable with several batteries and a robust method for model parameter estimation. In this paper, we present a method measuring impedance at different frequencies simultaneously. We propose to use a composite electrode model, capable to describe porous composite electrode materials. A hybrid method for parameter estimation based on a combination of evolution strategy and Levenberg-Marquardt method allowed a robust and fast parameter calculation. Based on this approach, an experimental investigation of aging effects of a lithium ion battery was carried out. After 230 discharge/charge cycles, the battery showed a 14% decreased capacity. Modeling results show that series resistance, charge transfer resistance and Warburg coefficient changed thereby their values by approximately 60%. A single frequency impedance measurement, usually carried out at 1 kHz, delivers only information about series resistance. Impedance spectroscopy allows additionally the estimation of charge transfer resistance and Warburg coefficient. This fact and the high sensitivity of model parameters to capacity change prove that impedance spectroscopy together with an accurate modeling deliver information that significantly improve characterization of aging effects.

  2. Molecular Laser Spectroscopy as a Tool for Gas Analysis Applications

    Directory of Open Access Journals (Sweden)

    Javis Anyangwe Nwaboh

    2011-01-01

    Full Text Available We have used the traceable infrared laser spectrometric amount fraction measurement (TILSAM method to perform absolute concentration measurements of molecular species using three laser spectroscopic techniques. We report results performed by tunable diode laser absorption spectroscopy (TDLAS, quantum cascade laser absorption spectroscopy (QCLAS, and cavity ring down spectroscopy (CRDS, all based on the TILSAM methodology. The measured results of the different spectroscopic techniques are in agreement with respective gravimetric values, showing that the TILSAM method is feasible with all different techniques. We emphasize the data quality objectives given by traceability issues and uncertainty analyses.

  3. UV-VIS and photoluminescence spectroscopy for nanomaterials characterization

    CERN Document Server

    2013-01-01

    Second volume of a 40-volume series on nanoscience and nanotechnology, edited by the renowned scientist Challa S.S.R. Kumar. This handbook gives a comprehensive overview about UV-visible and photoluminescence spectroscopy for the characterization of nanomaterials. Modern applications and state-of-the-art techniques are covered and make this volume essential reading for research scientists in academia and industry in the related fields.

  4. GEOMETRICAL CHARACTERIZATION OF MICRO END MILLING TOOLS

    DEFF Research Database (Denmark)

    Borsetto, Francesca; Bariani, Paolo

    The milling process is one of the most common metal removal operation used in industry. This machining process is well known since the beginning of last century and has experienced, along the years, many improvements of the basic technology, as concerns tools, machine tools, coolants/lubricants, ......The milling process is one of the most common metal removal operation used in industry. This machining process is well known since the beginning of last century and has experienced, along the years, many improvements of the basic technology, as concerns tools, machine tools, coolants....../lubricants, milling strategies and controls. Moreover the accuracy of tool geometry directly affects the performance of the milling process influencing the dimensional tolerances of the machined part, the surface topography, the chip formation, the cutting forces and the tool-life. The dimensions of certain...... geometrical details, as for instance the cutting edge radius, are determined by characteristics of the manufacturing process, tool material, coating etc. While for conventional size end mills the basic tool manufacturing process is well established, the reduction of the size of the tools required...

  5. Intracavity Faraday modulation spectroscopy (INFAMOS): A tool for radical detection

    Science.gov (United States)

    Gianella, Michele; Pinto, Tomas H. P.; Wu, Xia; Ritchie, Grant A. D.

    2017-08-01

    We present the intra-cavity Faraday modulation spectroscopy technique, whereby optical feedback cavity-enhanced spectroscopy is coupled with Faraday modulation spectroscopy to greatly enhance the interaction path length of a laser beam with a paramagnetic sample in a magnetic field. We describe a first prototype based upon a cw quantum cascade laser targeting a selection of fundamental rovibrational R-branch transitions of nitric oxide (1890 cm-1), consisting of a linear cavity (finesse F =6300 ) and a water-cooled solenoid. We demonstrate a minimum detectable Verdet constant of Vmin=4.7 ×10-14 rad cm-1 G-1 H z-1/2 (at SNR = 1), corresponding to a single-pass rotation angle of 1.6 ×10-10 rad Hz-1/2 and a limit of detection of 0.21 ppbv Hz-1/2 NO.

  6. Intracavity Faraday modulation spectroscopy (INFAMOS): A tool for radical detection.

    Science.gov (United States)

    Gianella, Michele; Pinto, Tomas H P; Wu, Xia; Ritchie, Grant A D

    2017-08-07

    We present the intra-cavity Faraday modulation spectroscopy technique, whereby optical feedback cavity-enhanced spectroscopy is coupled with Faraday modulation spectroscopy to greatly enhance the interaction path length of a laser beam with a paramagnetic sample in a magnetic field. We describe a first prototype based upon a cw quantum cascade laser targeting a selection of fundamental rovibrational R-branch transitions of nitric oxide (1890 cm -1 ), consisting of a linear cavity (finesse F=6300) and a water-cooled solenoid. We demonstrate a minimum detectable Verdet constant of V min =4.7×10 -14  rad cm -1  G -1  Hz -1/2 (at SNR = 1), corresponding to a single-pass rotation angle of 1.6×10 -10  rad Hz -1/2 and a limit of detection of 0.21 ppbv Hz -1/2 NO.

  7. Strain characterization of FinFETs using Raman spectroscopy

    International Nuclear Information System (INIS)

    Kaleli, B.; Hemert, T. van; Hueting, R.J.E.; Wolters, R.A.M.

    2013-01-01

    Metal induced strain in the channel region of silicon (Si) fin-field effect transistor (FinFET) devices has been characterized using Raman spectroscopy. The strain originates from the difference in thermal expansion coefficient of Si and titanium-nitride. The Raman map of the device region is used to determine strain in the channel after preparing the device with the focused ion beam milling. Using the Raman peak shift relative to that of relaxed Si, compressive strain values up to – 0.88% have been obtained for a 5 nm wide silicon fin. The strain is found to increase with reducing fin width though it scales less than previously reported results from holographic interferometry. In addition, finite-element method (FEM) simulations have been utilized to analyze the amount of strain generated after thermal processing. It is shown that obtained FEM simulated strain values are in good agreement with the calculated strain values obtained from Raman spectroscopy. - Highlights: ► Strain is characterized in nanoscale devices with Raman spectroscopy. ► There is a fin width dependence of the originated strain. ► Strain levels obtained from this technique is in correlation with device simulations

  8. Real-Time Smart Tools for Processing Spectroscopy Data, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — We propose novel and real-time smart software tools to process spectroscopy data. Material abundance or compositional maps will be generated for rover guidance,...

  9. Microanalysis of tool steel and glass with laser-induced breakdown spectroscopy

    Science.gov (United States)

    Loebe, Klaus; Uhl, Arnold; Lucht, Hartmut

    2003-10-01

    A laser microscope system for the microanalytical characterization of complex materials is described. The universal measuring principle of laser-induced breakdown spectroscopy (LIBS) in combination with echelle optics permits a fast simultaneous multielement analysis with a possible spatial resolution below 10 pm. The developed system features completely UV-transparent optics for the laser-microscope coupling and the emission beam path and enables parallel signal detection within the wavelength range of 200-800 nm with a spectral resolution of a few picometers. Investigations of glass defects and tool steels were performed. The characterization of a glass defect in a tumbler by a micro-LIBS line scan, with use of a 266-nm diode-pumped Nd:YAG laser for excitation, is possible by simple comparison of plasma spectra of the defect and the surrounding area. Variations in the main elemental composition as well as impurities by trace elements are detected at the same time. Through measurement of the calibration samples with the known concentration of the corresponding element, a correlation between the intensity of spectral lines and the element concentration was also achieved. The change of elemental composition at the transient stellite solder of tool steels has been determined by an area scan. The two-dimensional pictures show abrupt changes of the element distribution along the solder edge and allow fundamental researches of dynamic modifications (e.g., diffusion) in steel.

  10. Raman spectroscopy as a tool for investigating lipid protein interactions

    DEFF Research Database (Denmark)

    Petersen, Frederic Nicolas Rønne; Helix Nielsen, Claus

    2009-01-01

    ]) as well as improved technical equipment for signal capture (such as improved sensitivity of charge-coupled devices [CCDs]). Combined, these technological advances have brought Raman spectroscopy into a new era in which hitherto inaccessible or hardly accessible research areas now are becoming possible...

  11. Optical and microstructural characterization of porous silicon using photoluminescence, SEM and positron annihilation spectroscopy

    International Nuclear Information System (INIS)

    Cheung, C K; Nahid, F; Cheng, C C; Beling, C D; Fung, S; Ling, C C; Djurisic, A B; Pramanik, C; Saha, H; Sarkar, C K

    2007-01-01

    We have studied the dependence of porous silicon morphology and porosity on fabrication conditions. N-type (100) silicon wafers with resistivity of 2-5 Ω cm were electrochemically etched at various current densities and anodization times. Surface morphology and the thickness of the samples were examined by scanning electron microscopy (SEM). Detailed information of the porous silicon layer morphology with variation of preparation conditions was obtained by positron annihilation spectroscopy (PAS): the depth-defect profile and open pore interconnectivity on the sample surface has been studied using a slow positron beam. Coincidence Doppler broadening spectroscopy (CDBS) was used to study the chemical environment of the samples. The presence of silicon micropores with diameter varying from 1.37 to 1.51 nm was determined by positron lifetime spectroscopy (PALS). Visible luminescence from the samples was observed, which is considered to be a combination effect of quantum confinement and the effect of Si = O double bond formation near the SiO 2 /Si interface according to the results from photoluminescence (PL) and positron annihilation spectroscopy measurements. The work shows that the study of the positronium formed when a positron is implanted into the porous surface provides valuable information on the pore distribution and open pore interconnectivity, which suggests that positron annihilation spectroscopy is a useful tool in the porous silicon micropores' characterization

  12. Raman spectroscopy as a tool for ecology and evolution.

    Science.gov (United States)

    Germond, Arno; Kumar, Vipin; Ichimura, Taro; Moreau, Jerome; Furusawa, Chikara; Fujita, Hideaki; Watanabe, Tomonobu M

    2017-06-01

    Scientists are always on the lookout for new modalities of information which could reveal new biological features that are useful for deciphering the complexity of biological systems. Here, we introduce Raman spectroscopy as a prime candidate for ecology and evolution. To encourage the integration of this microscopy technique in the field of ecology and evolution, it is crucial to discuss first how Raman spectroscopy fits within the conceptual, technical and pragmatic considerations of ecology and evolution. In this paper, we show that the spectral information holds reliable indicators of intra- and interspecies variations, which can be related to the environment, selective pressures and fitness. Moreover, we show how the technical and pragmatic aspects of this modality (non-destructive, non-labelling, speed, relative low cost, etc.) enable it to be combined with more conventional methodologies. With this paper, we hope to open new avenues of research and extend the scope of available methodologies used in ecology and evolution. © 2017 The Authors.

  13. spectroscopy

    African Journals Online (AJOL)

    Aghomotsegin

    2015-10-14

    Oct 14, 2015 ... characterized by using phenotypic, API and Fourier transform infrared (FTIR) spectroscopy methods. One hundred and fifty-seven (157) strains were isolated from 13 cheese samples, and identification test was performed for 83 strains. At the end of the study, a total of 22 Lactococcus sp., 36 Enterecoccus ...

  14. High resolution laser spectroscopy as a diagnostic tool in beams

    International Nuclear Information System (INIS)

    Bergmann, K.; Hefter, U.; Hering, P.

    1977-01-01

    The combination of high resolution laser spectroscopy with the technique of molecular beams allows a very detailed beam research since molecules or atoms in specific quantum states can be sampled yielding previously unavailable sources of data. In these experiments a Na/Na 2 beam emerges from a 0.2 mm nozzle and is collimated by a 2 mm wide slit 50 cm downstream. To probe the molecules a single mode Ar + -laser was used which can be tuned within the gain profile of the laser line (8 GHz) to several transitions between specific levels in the ground state and second electronically excited state of the Na 2 molecule. (Auth.)

  15. ESR spectroscopy - an analytical tool for the glass industry

    International Nuclear Information System (INIS)

    Elvers, A.; Weissmann, R.

    2001-01-01

    In the past, wet chemical methods have been developed for the quantitative analysis of polyvalent elements in glasses. The major disadvantage of these chemical methods is that all structural information is lost during analysis. In addition, the analysis of species by wet chemical methods is unreliable due to possible redox reactions during the decomposition process. Therefore, the emphasis is on the physical methods which can directly detect species in bulk glasses. Especially optical and ESR spectroscopy are suitable methods due to their wide range of applications and sensitivity. Concerning quantitative measurements, no comparison between ESR results and chemical analysis of species has been published so far. This work discusses the possible application of ESR spectroscopy in the glass industry by focussing on routine interpretation, the correlation to chemical procedures and quantitative analysis. Results are presented and discussed for iron and chromium in packaging glasses. For example an excellent correlation was found between the Fe 3+ ESR signal and the chemically determined Fe 3+ concentration in glass. (orig.)

  16. Enantioselective silver nanoclusters: Preparation, characterization and photoluminescence spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Farrag, Mostafa, E-mail: mostafafarrag@aun.edu.eg

    2016-09-01

    Herein, we report a new wet-synthesis method to separate some water-soluble chiral silver nanoclusters with high yield. The cluster material was obtained by the reduction of silver nitrate with NaBH{sub 4} in the presence of three ligands L-penicillamine (L-pen), D-penicillamine (D-pen) and racemic mixture of penicillamine (rac-pen), functioning as capping ligand. For characterizing all silver cluster samples, the particle size was assessed by transmission electron microscopy (TEM) and powder X-ray diffraction (XRD) and their average chemical formula was determined from thermogravimetric analysis (TGA) and elemental analysis (EA). The particles sizes of all three clusters are 2.1 ± 0.2 nm. The optical properties of the samples were studied by four different methods: UV-vis spectroscopy, Fourier transform infrared spectroscopy (FTIR), photoluminescence spectroscopy (PL) and circular dichroism (CD) spectroscopy. The spectra are dominated by the typical and intense plasmon peak at 486 nm accompanied by a small shoulder at 540 nm. Infrared spectroscopy was measured for the free ligand and protected silver nanoclusters, where the disappearance of the S-H vibrational band (2535–2570 cm{sup −1}) in the silver nanoclusters confirmed anchoring of ligand to the cluster surface through the sulfur atom. PL studies yielded the fluorescent properties of the samples. The main focus of this work, however, lies in the chirality of the particles. For all silver clusters CD spectra were recorded. While for clusters capped with one of the two enantiomers (D- or L-form) typical CD spectra were observed, no significant signals were detected for a racemic ligand mixture. Furthermore, silver clusters show quite large asymmetry factors (up to 3 × 10{sup −4}) in comparison to most other ligand protected clusters. These large factors and bands in the visible range of the spectrum suggest a strong chiral induction from the ligand to the metal core. Textural features of the

  17. U(IV) fluorescence spectroscopy. A new speciation tool

    Energy Technology Data Exchange (ETDEWEB)

    Lehmann, Susanne; Brendler, Vinzenz [Helmholtz-Zentrum Dresden-Rossendorf e.V., Dresden (Germany). Surface Processes; Steudtner, Robin [Helmholtz-Zentrum Dresden-Rossendorf e.V., Dresden (Germany). Inst. of Resource Ecology

    2017-06-01

    We combined absorption and fluorescence spectroscopy to study the speciation of U(IV) in solution in concentrations down to 10{sup -6} M uranium. With our time-resolved laser-induced fluorescence setup we could determine the fluorescence decay time of U(IV) in perchloric as well as in chloric acid with 2.6 ± 0.3 ns at room temperature and 148.4 ± 6.5 ns at liquid nitrogen temperature. For the U(IV) sulfate system, we observed a bathochromic shift and a peak shape modification in the fluorescence spectra with increasing sulfate concentration in solution. Thus, the potential of U(IV) fluorescence for speciation analysis could be proven.

  18. Moessbauer spectroscopy characterization of Zr-Nb-Fe phases

    Energy Technology Data Exchange (ETDEWEB)

    Ramos, C.P. [CONICET, Av. Gral. Paz 1499, 1650 Buenos Aires (Argentina)]. E-mail: ciramos@cnea.gov.ar; Granovsky, M.S. [CAC-CNEA, Av. Gral. Paz 1499, 1650 Buenos Aires (Argentina); Saragovi, C. [CAC-CNEA, Av. Gral. Paz 1499, 1650 Buenos Aires (Argentina)

    2007-02-01

    The aim of this work was the characterization of the ternary phases and of those coming from the corresponding binary systems in the Zr-Nb-Fe diagram by means of Moessbauer spectroscopy. This is part of a complete study involving a tentative isothermal section at 900 deg. C of the center of the Zr-Nb-Fe diagram which will be published elsewhere. Zr-Nb-Fe alloys with Nb contents between 5 and 50 at% and Fe contents between 10 and 60 at% were analyzed after a heat treatment at 900 deg. C for 4 month. Moessbauer characterization of the phases was complemented by optical and scanning electron microscopies, X-ray diffraction and electron microprobe analysis. From the obtained results it can be inferred that Fe in both of the Laves phases present in this system (Zr(FeNb){sub 2} and (ZrNb)Fe{sub 2}) sees different environments, producing quadrupole splitting and hyperfine field distributions, respectively. Two types of body centered cubic {beta} phases (Zr-rich and Nb-rich) were found having noticeable differences in their Moessbauer parameters. Furthermore it was shown that the ternary Fe(NbZr){sub 2} compound would show magnetic character at low temperatures. Concentration dependence of the hyperfine parameters and their relations with the lattice parameters contributed to the structural characterization of the phases.

  19. Moessbauer spectroscopy characterization of Zr-Nb-Fe phases

    International Nuclear Information System (INIS)

    Ramos, C.P.; Granovsky, M.S.; Saragovi, C.

    2007-01-01

    The aim of this work was the characterization of the ternary phases and of those coming from the corresponding binary systems in the Zr-Nb-Fe diagram by means of Moessbauer spectroscopy. This is part of a complete study involving a tentative isothermal section at 900 deg. C of the center of the Zr-Nb-Fe diagram which will be published elsewhere. Zr-Nb-Fe alloys with Nb contents between 5 and 50 at% and Fe contents between 10 and 60 at% were analyzed after a heat treatment at 900 deg. C for 4 month. Moessbauer characterization of the phases was complemented by optical and scanning electron microscopies, X-ray diffraction and electron microprobe analysis. From the obtained results it can be inferred that Fe in both of the Laves phases present in this system (Zr(FeNb) 2 and (ZrNb)Fe 2 ) sees different environments, producing quadrupole splitting and hyperfine field distributions, respectively. Two types of body centered cubic β phases (Zr-rich and Nb-rich) were found having noticeable differences in their Moessbauer parameters. Furthermore it was shown that the ternary Fe(NbZr) 2 compound would show magnetic character at low temperatures. Concentration dependence of the hyperfine parameters and their relations with the lattice parameters contributed to the structural characterization of the phases

  20. Characterization of defects in metals by positron-annihilation spectroscopy

    International Nuclear Information System (INIS)

    Siegel, R.W.

    1981-10-01

    The application of positron-annihilation spectroscopy (PAS) to the characterization and study of defects in metals has grown rapidly and increasingly useful in recent years. Owing to the ability of the positron to annihilate from a variety of defect-trapped states in metals, PAS can yield defect-specific information which, by itself or in conjunction with more traditional experimental techniques, has already made a significant impact upon our knowledge regarding lattice defect properties in metals. This has been especially true for vacancy defets, as a result of the positron's affinity for lower-than-average electron-density regions in the metal. The physical basis for the positron annihilation techniques is presented in this paper; and the experimental techniques, lifetime, Doppler broadening, and angular correlation, are briefly described and compared with respect to the information that can be obtained from each of them. A number of examples of the application of PAS to the characterization of atomic defects and their agglomerates are presented. The particular examples, chosen from the areas of equilibrium vacancy formation and atomic-defect recovery, were selected with a view toward elucidating the particular advantages of PAS over more traditional defect-characterization techniques. Limitations of PAS are also pointed out. 98 references

  1. Cell growth characterization using multi-electrode bioimpedance spectroscopy

    International Nuclear Information System (INIS)

    Lu, Yi-Yu; Huang, Yu-Jie; Cheng, Kuo-Sheng; Huang, Ji-Jer

    2013-01-01

    Cell growth characterization during culturing is an important issue in a variety of biomedical applications. In this study an electrical bioimpedance spectroscopy-based multi-electrode culture monitoring system was developed to characterize cell growth. A PC12 cell line was cultured for the cell growth study. The bioimpedance variations for PC12 cell growth within the initial 12 h were measured over a range between 1 kHz and 4 MHz at three different medium concentrations. Within this frequency range, the largest bioimpedance value was 1.9 times the smallest bioimpedance value. The phase angle decreased over the range from 1 to 10 kHz when cells were growing. Then, the phase angle approached a constant over the frequency range between 10 kHz and 2 MHz. Thereafter, the phase angle increased rapidly from 20 to 52 degrees during cell culturing between 8 and 12 h at 4 MHz. The maximum cell number after culturing for 12 h increased by 25.8% for the control sites with poly-D-lysine (PDL) pastes. For the normal growth factor, the cell number increased up to 4.78 times from 8 to 12 h, but only 0.96 and 1.60 times for the other two medium growth factors. The correlation coefficients between impedance and cell number were 0.868 (coating with PDL), and 0.836 (without PDL) for the normal concentration medium. Thus, impedance may be used as an index for cell growth characterization. (paper)

  2. The Exoplanet Characterization ToolKit (ExoCTK)

    Science.gov (United States)

    Stevenson, Kevin; Fowler, Julia; Lewis, Nikole K.; Fraine, Jonathan; Pueyo, Laurent; Valenti, Jeff; Bruno, Giovanni; Filippazzo, Joseph; Hill, Matthew; Batalha, Natasha E.; Bushra, Rafia

    2018-01-01

    The success of exoplanet characterization depends critically on a patchwork of analysis tools and spectroscopic libraries that currently require extensive development and lack a centralized support system. Due to the complexity of spectroscopic analyses and initial time commitment required to become productive, there are currently a limited number of teams that are actively advancing the field. New teams with significant expertise, but without the proper tools, face prohibitively steep hills to climb before they can contribute. As a solution, we are developing an open-source, modular data analysis package in Python and a publicly facing web interface focused primarily on atmospheric characterization of exoplanets and exoplanet transit observation planning with JWST. The foundation of these software tools and libraries exist within pockets of the exoplanet community. Our project will gather these seedling tools and grow a robust, uniform, and well maintained exoplanet characterization toolkit.

  3. Charge exchange recombination spectroscopy as a plasma diagnostic tool

    International Nuclear Information System (INIS)

    Fonck, R.J.

    1984-12-01

    Intensity and line profile measurements of the spectra of light hydrogenic ion which are excited by charge exchange reactions with fast neutral atoms are being widely used as diagnostics for fusion plasma research. This technique, which is referred to as charge exchange recombination spectroscopy, allows measurements of the densities of fully stripped impurity ions and particle transport coefficients with only minor uncertainties arising from atomic processes. The excitation of long wavelength transitions in light ions such as He + , C 5+ , and O 7+ allows relatively easy measurements of ion velocity distributions to determine ion temperatures and plasma rotation velocities. Among its advantages for such measurements are the facts that fiber optic coupling between a remote spectrometer and the immediate reactor environment is possible in many cases. The measurement is localized by the intersection region of a neutral beamline and viewing sightline, and intrinsic ions can be used so that injection of potentially perturbing impurities can be avoided. A particularly challenging application of this technique lies in the diagnosis of alpha particles expected to be produced in the present generation of Q approx. = 1 tokamak experiments

  4. Characterization of CdSe polycrystalline films by photoluminescence spectroscopy

    International Nuclear Information System (INIS)

    Brasil, M.J.S.P.

    1985-01-01

    The characterization of CdSe polycristalline films were done by photoluminescence spectroscopy, X-ray diffraction analysis, diagrams IxV, and efficiency of solar energy conversion for cells done by these films. The experimental data shown strong temperature dependence of annealing, and the optimum temperature around 650 0 C was determined. The films did not present photoluminescence before heat treatment, but the annealed sample spectrum showed fine structures in the excitonic region, crystal phase transformation, enhancement of grain size, and better efficiency of the cell. Measurements of photoluminescence between 2 and 300 K, showed two bands of infrared emission, width and intense enough. The shape, at half-width, and the integrated intensity of one these bands were described by a configuration coordinate model for deep centers. Based on obtained results, some hypothesis about the origin of these bands and its correlation with efficiency of cells done with CdSe polycrystalline films, are proposed. (M.C.K.) [pt

  5. Using Rutherford Backscattering Spectroscopy to Characterize Targets for MTW

    Science.gov (United States)

    Brown, Gunnar; Stockler, Barak; Ward, Ryan; Freeman, Charlie; Padalino, Stephen; Stillman, Collin; Ivancic, Steven; Reagan, S. P.; Sangster, T. C.

    2017-10-01

    A study is underway to determine the composition and thickness of targets used at the Multiterawatt (MTW) laser facility at the Laboratory for Laser Energetics (LLE) using Rutherford backscattering spectroscopy (RBS). In RBS, an ion beam is incident on a sample and the scattered ions are detected with a surface barrier detector. The resulting energy spectra of the scattered ions can be analyzed to determine important parameters of the target including elemental composition and thickness. Proton, helium and deuterium beams from the 1.7 MV Pelletron accelerator at SUNY Geneseo have been used to characterize several different targets for MTW, including CH and aluminum foils of varying thickness. RBS spectra were also obtained for a cylindrical iron buried-layer target with aluminum dopant which was mounted on a silicon carbide stalk. The computer program SIMNRA is used to analyze the spectra. This work was funded in part by a Grant from the DOE through the Laboratory for Laser Energetics.

  6. High resolution neutron spectroscopy - a tool for the investigation of dynamics of polymers and soft matter

    International Nuclear Information System (INIS)

    Monkenbusch, M.; Richter, D.

    2007-01-01

    Neutron scattering, with the ability to vary the contrast of molecular items by hydrogen/deuterium exchanges, is an invaluable tool for soft matter research. Besides the structural information on the mesoscopic scale that is obtained by diffraction methods like small angle neutron scattering, the slow dynamics of molecular motion on mesoscopic scale is accessible by high resolution neutron spectroscopy. The basic features of neutron backscattering spectroscopy, and in particular neutron spin-echo spectroscopy, are presented, in combination with illustrations of results from polymer melt dynamics to protein dynamics which are obtained by these techniques. (authors)

  7. Online and Certifiable Spectroscopy Courses Using Information and Communication Tools. a Model for Classrooms and Beyond

    Science.gov (United States)

    Krishnan, Mangala Sunder

    2015-06-01

    Online education tools and flipped (reverse) class models for teaching and learning and pedagogic and andragogic approaches to self-learning have become quite mature in the last few years because of the revolution in video, interactive software and social learning tools. Open Educational resources of dependable quality and variety are also becoming available throughout the world making the current era truly a renaissance period for higher education using Internet. In my presentation, I shall highlight structured course content preparation online in several areas of spectroscopy and also the design and development of virtual lab tools and kits for studying optical spectroscopy. Both elementary and advanced courses on molecular spectroscopy are currently under development jointly with researchers in other institutions in India. I would like to explore participation from teachers throughout the world in the teaching-learning process using flipped class methods for topics such as experimental and theoretical microwave spectroscopy of semi-rigid and non-rigid molecules, molecular complexes and aggregates. In addition, courses in Raman, Infrared spectroscopy experimentation and advanced electronic spectroscopy courses are also envisaged for free, online access. The National Programme on Technology Enhanced Learning (NPTEL) and the National Mission on Education through Information and Communication Technology (NMEICT) are two large Government of India funded initiatives for producing certified and self-learning courses with financial support for moderated discussion forums. The learning tools and interactive presentations so developed can be used in classrooms throughout the world using flipped mode of teaching. They are very much sought after by learners and researchers who are in other areas of learning but want to contribute to research and development through inter-disciplinary learning. NPTEL is currently is experimenting with Massive Open Online Course (MOOC

  8. Synthesis, Characterization, and Spectroscopy of Model Molybdopterin Complexes‡

    Science.gov (United States)

    Burgmayer, Sharon J. Nieter; Kim, Mary; Petit, Rebecca; Rothkopf, Amy; Kim, Alison; BelHamdounia, Shadia; Hou, Ying; Somogyi, Arpad; Habel-Rodriguez, Diana; Williams, Antonio; Kirk, Martin L.

    2012-01-01

    The preparation and characterization of new model complexes for the molybdenum cofactor are reported. The new models are distinctive for the inclusion of pterin-substituted dithiolene chelates and have the formulation Tp*MoX(pterin-R-dithiolene) (Tp* = tris(3,5,-dimethylpyrazolyl)borate), X= O, S, R= aryl or −C(OH)(CH3)2). Syntheses of Mo(4+) and (5+) complexes of two pterin-dithiolene derivatives as both oxo and sulfido compounds, and improved syntheses for pterinyl alkynes and [Et4N][Tp*MoIV(S)S4] reagents are described. Characterization methods include electrospray ionization mass spectrometry, electrochemistry, infrared spectroscopy, electron paramagnetic resonance and magnetic circular dichroism. Cyclic voltammetry reveals that the Mo(5+/4+) reduction potential is intermediate between that for dithiolene with electron-withdrawing substituents and simple dithiolate chelates. Electron paramagnetic resonance and magnetic circular dichroism of Mo(5+) complexes where X = O, R = aryl indicates that the molybdenum environment in the new models is electronically similar to that in Tp*MoO(benzenedithiolate). PMID:17765313

  9. Laminated helmet materials characterization by terahertz kinetics spectroscopy

    Science.gov (United States)

    Rahman, Anis; Rahman, Aunik K.

    2015-05-01

    High speed acquisition of reflected terahertz energy constitutes a kinetics spectrum that is an effective tool for layered materials' deformation characterization under ballistic impact. Here we describe utilizing the kinetics spectrum for quantifying a deformation event due to impact in material used for Soldier's helmet. The same technique may be utilized for real-time assessment of trauma by measuring the helmet wore by athletes. The deformation of a laminated material (e.g., a helmet) is dependent on the nature of impact and projectile; thus can uniquely characterize the impact condition leading to a diagnostic procedure based on the energy received by an athlete during an impact. We outline the calibration process for a given material under ballistic impact and then utilize the calibration for extracting physical parameters from the measured kinetics spectrum. Measured kinetics spectra are used to outline the method and rationale for extending the concept to a diagnosis tool. In particular, captured kinetics spectra from multilayered plates subjected to ballistic hit under experimental conditions by high speed digital acquisition system. An algorithm was devised to extract deformation and deformation velocity from which the energy received on the skull was estimated via laws of nonrelativistic motion. This energy is assumed to be related to actual injury conditions, thus forming a basis for determining whether the hit would cause concussion, trauma, or stigma. Such quantification may be used for diagnosing a Soldier's trauma condition in the field or that of an athlete's.

  10. Characterization of functional LB films using electron spin resonance spectroscopy

    International Nuclear Information System (INIS)

    Kuroda, Shin-ichi

    1995-01-01

    The role of ESR spectroscopy in the characterization of functional LB films is discussed. Unpaired electrons in LB films are associated with isolated radical molecules produced by charge transfer, paramagnetic metallic ions such as Cu 2+ , strongly interacting spins in the mixed valence states in charge-transfer salts, and so on. These spins often manifest the functions of materials. They can also act as microscopic probes in the ESR analysis devoted for the elucidation of characteristic properties of LB films. In structural studies, ESR is of particular importance in the analysis of molecular orientation of LB films. ESR can unambiguously determine the orientation of molecules through g-value anisotropy: different g value, different resonance field. Two types of new control methods of molecular orientation in LB films originated from the ESR analysis: study of in-plane orientation in dye LB films which led to the discovery of flow-orientation effect, and observation of drastic change of orientation of Cu-porphyrin in LB films using the trigger molecule, n-hexatriacontane. In the studies of electronic properties, hyperfine interactions between electron and nuclear spins provide information about molecular orbitals and local structures. Stable isotopes have been successfully applied to the stable radicals in merocyanine LB films to identify hyperfine couplings. In conducting LB films composed of charge-transfer salts, quasi-one-dimensional antiferromagnetism in semiconducting films and spin resonance of conduction electrons in metallic films are observed. Results provide microscopic evidence for the development of columnar structures of constituent molecules. Development of new functional LB films may provide more cases where ESR spectroscopy will clarify the nature of such films. (author)

  11. Toward the development of Raman spectroscopy as a nonperturbative online monitoring tool for gasoline adulteration.

    Science.gov (United States)

    Tan, Khay M; Barman, Ishan; Dingari, Narahara C; Singh, Gajendra P; Chia, Tet F; Tok, Wee L

    2013-02-05

    There is a critical need for a real-time, nonperturbative probe for monitoring the adulteration of automotive gasoline. Running on adulterated fuel leads to a substantive increase in air pollution, because of increased tailpipe emissions of harmful pollutants, as well as a reduction in engine performance. Consequently, both classification of the gasoline type and quantification of the adulteration content are of great significance for quality control. Gasoline adulteration detection is currently carried out in the laboratory with gas chromatography, which is time-consuming and costly. Here, we propose the application of Raman spectroscopic measurements for on-site rapid detection of gasoline adulteration. In this proof-of-principle report, we demonstrate the effectiveness of Raman spectra, in conjunction with multivariate analysis methods, in classifying the base oil types and simultaneously detecting the adulteration content in a wide range of commercial gasoline mixtures, both in their native states and spiked with different adulterants. In particular, we show that Raman spectra acquired with an inexpensive noncooled detector provides adequate specificity to clearly discriminate between the gasoline samples and simultaneously characterize the specific adulterant content with a limit of detection below 5%. Our promising results in this study illustrate, for the first time, the capability and the potential of Raman spectroscopy, together with multivariate analysis, as a low-cost, powerful tool for on-site rapid detection of gasoline adulteration and opens substantive avenues for applications in related fields of quality control in the oil industry.

  12. Current research relevant to the improvement of γ-ray spectroscopy as an analytical tool

    International Nuclear Information System (INIS)

    Meyer, R.A.; Tirsell, K.G.; Armantrout, G.A.

    1976-01-01

    Four areas of research that will have significant impact on the further development of γ-ray spectroscopy as an accurate analytical tool are considered. The areas considered are: (1) automation; (2) accurate multigamma ray sources; (3) accuracy of the current and future γ-ray energy scale, and (4) new solid state X and γ-ray detectors

  13. 19F-nuclear magnetic resonance spectroscopy as a tool to ...

    African Journals Online (AJOL)

    19F-nuclear magnetic resonance spectroscopy as a tool to investigate host-guest complexation of some antidepressant drugs with natural and modified cyclodextrins. Leila Shafiee Dastjerdi1* and Mojtaba Shamsipur2. 1Faculty of Science, Roudehen Branch, Islamic Azad University, Tehran, 2Department of Chemistry, ...

  14. Characterization of cinematographic films by Laser Induced Breakdown Spectroscopy

    International Nuclear Information System (INIS)

    Gaspard, S.; Oujja, M.; Rebollar, E.; Abrusci, C.; Catalina, F.; Castillejo, M.

    2007-01-01

    The emulsion-coated transparent plastic-base film has been the main carrier for production and preservation of motion picture contents since the 19th century. The knowledge of the composition of black and white silver gelatine cinematographic films is of great importance for the characterization of the photographic process and for identifying the optimum conditions for conservation. A cinematographic film is a multi-component system that consists of a layer of photographic emulsion overcoating a polymeric support (plasticized cellulose triacetate) and a protective transparent cross-linked gelatine layer coating the emulsion. In the present work, Laser Induced Breakdown Spectroscopy (LIBS) is used to characterize the composition of the materials of cinematographic films. LIB spectra of film samples and of different individual film components, polymeric support and reference gelatines, were acquired in vacuum by excitation at 266 nm (Q-switched Nd:YAG laser, 6 ns, 10 Hz). In the cinematographic film, silver lines from the light-sensitive silver halide salts of the photographic emulsion are accompanied by iron, lead, chrome and phosphorus lines. Iron and lead are constituents of film developers, chrome is included in the composition of the hardening agents and phosphorus has its origin in the plasticizer used in the polymeric support. By applying successive pulses on the same spot of the film sample, it was possible to observe through stratigraphic analysis the different layers composition. Additionally, the results obtained reveal the analytical capacity of LIBS for the study and classification of the different gelatine types and qualities used for the protecting layer and the photographic emulsion

  15. Applicability of FTIR-spectroscopy for characterizing waste organic matter

    International Nuclear Information System (INIS)

    Smidt, E.

    2001-12-01

    State and development of waste organic matter were characterized by means of FTIR-spectroscopy. Due to the interaction of infrared light with matter energy is absorbed by chemical functional groups. Chemical preparation steps are not necessary and therefore this method offers a more holistic information about the material. The first part of experiments was focussed on spectra of different waste materials representing various stages of decomposition. Due to characteristics in the fingerprint- region the identity of wastes is provable. Heights of significant bands in the spectrum were measured and relative absorbances were calculated. Changes of relative absorbances indicate the development of organic matter during decomposition. Organic matter of waste samples was compared to organic matter originating from natural analogous processes (peat, soil). The second part of experiments concentrated on a composting process for a period of 260 days. Spectral characteristics of the samples were compared to their chemical, physical and biological data. The change of relative absorbances was reflected by conventional parameters. According to the development of the entire sample humic acids underwent a change as well. For practical use the method offers several possibilities: monitoring of a process, comparison of different processes, quality control of products originating from waste materials and the proof of their identity. (author)

  16. Characterization of different cassava samples by nuclear magnetic resonance spectroscopy

    International Nuclear Information System (INIS)

    Iulianelli, Gisele C.V.; Tavares, Maria I.B.

    2011-01-01

    Cassava root (Manihot esculenta Crantz) is grown in all Brazilian states, being an important product in the diet of Brazilians. For many families of the North and Northeast states, it may represent the main energy source. The cassava root flour has high levels of starch, in addition to containing fiber, lipids and some minerals. There is, however, great genetic variability, which results in differentiation in its chemical composition and structural aspect. Motivated by the economic, nutritional and pharmacological importance of this product, this work is aimed at characterizing six cassava flour samples by NMR spectroscopy. The spectra revealed the main chemical groups. Furthermore, the results confirmed differences on chemical and structural aspect of the samples. For instance, the F1 sample is richer in carbohydrates, while the F4 sample has higher proportion of glycolipids, the F2 sample has higher amylose content and the F6 sample exhibits a greater diversity of glycolipid types. Regarding the molecular structure, the NMR spectra indicated that the F1 sample is more organized at the molecular level, while the F3 and F5 samples are similar in amorphicity and in the molecular packing. (author)

  17. BATMAN beam properties characterization by the beam emission spectroscopy diagnostic

    Science.gov (United States)

    Bonomo, F.; Ruf, B.; Barbisan, M.; Cristofaro, S.; Schiesko, L.; Fantz, U.; Franzen, P.; Pasqualotto, R.; Riedl, R.; Serianni, G.; Wünderlich, D.

    2015-04-01

    The ITER neutral beam heating systems are based on the production and acceleration of negative ions (H/D) up to 1 MV. The requirements for the beam properties are strict: a low core beam divergence (BATMAN (BAvarian Test MAchine for Negative ions) allows for deepening the knowledge of the determination of the beam properties. One of the diagnostics routinely used to this purpose is the Beam Emission Spectroscopy (BES): the Hα light emitted in the beam is detected and the corresponding spectra are evaluated to estimate the beam divergence and the stripping losses. The BES number of lines of sight in BATMAN has been recently increased: five horizontal lines of sight providing a vertical profile of the beam permit to characterize the negative ion beam properties in relation to the source parameters. Different methods of Hα spectra analysis are here taken into account and compared for the estimation of the beam divergence and the amount of stripping. In particular, to thoroughly study the effect of the space charge compensation on the beam divergence, an additional hydrogen injection line has been added in the tank, which allows for setting different background pressure values (one order of magnitude, from about 0.04 Pa up to the source pressure) in the beam drift region.

  18. Spectroscopy characterization and quantum yield determination of quantum dots

    International Nuclear Information System (INIS)

    Ortiz, S N Contreras; Ospino, E Mejía; Cabanzo, R

    2016-01-01

    In this paper we show the characterization of two kinds of quantum dots: hydrophilic and hydrophobic, with core and core/shell respectively, using spectroscopy techniques such as UV-Vis, fluorescence and Raman. We determined the quantum yield in the quantum dots using the quinine sulphate as standard. This salt is commonly used because of its quantum yield (56%) and stability. For the CdTe excitation, we used a wavelength of 549nm and for the CdSe/ZnS excitation a wavelength of 527nm. The results show that CdSe/ZnS (49%) has better fluorescence, better quantum dots, and confirm the fluorescence result. The quantum dots have shown a good fluorescence performance, so this property will be used to replace dyes, with the advantage that quantum dots are less toxic than some dyes like the rhodamine. In addition, in this work we show different techniques to find the quantum dots emission: fluorescence spectrum, synchronous spectrum and Raman spectrum. (paper)

  19. Characterization of Zircaloy-4 oxide layers by impedance spectroscopy

    International Nuclear Information System (INIS)

    Barberis, P.

    1999-01-01

    Two Zircaloy-4 type alloys with different tin contents (0.5 and 1.2 wt%) have been oxidized in autoclave (400 C in steam) for several durations (1-140 days). The film has been characterized by electrochemical impedance spectroscopy (EIS). Several soaking times have been investigated (up to 40 days). The Cole-Cole representation has been used to display and study the data. A simple electrical model has been derived from the observed spectra: the electrical circuit includes two RC loops in series, whose capacitances are frequency dispersed. It is thoroughly related to the layer structure. It has been shown that even before the kinetic transition, the film is constituted of three parts: an inner layer which is compact, an outer layer subdivided in an external region immediately soaked by the electrolyte, and an internal one in which electrolyte diffusion processes can take place. The kinetic transition is interpreted in terms of an abrupt 'compacity' change, both layers degrading at this point. The alloy with high tin content exhibits higher dispersive properties of the oxide layer formed on it, in correlation with its faster oxidation kinetics. (orig.)

  20. Application of FTIR spectroscopy to the characterization of archeological wood.

    Science.gov (United States)

    Traoré, Mohamed; Kaal, Joeri; Martínez Cortizas, Antonio

    2016-01-15

    Two archeological wood samples were studied by attenuated total reflectance Fourier transform infrared (FTIR-ATR) spectroscopy. They originate from a shipwreck in Ribadeo Bay in the northwest of Spain and from a beam wood of an old nave of the Cathedral of Segovia in the central Spain. Principal component analysis was applied to the transposed data matrix (samples as columns and spectral bands as rows) of 43 recorded spectra (18 in the shipwreck and 25 in the beam wood). The results showed differences between the two samples, with a larger proportion of carbohydrates and smaller proportion of lignin in the beam than in the shipwreck wood. Within the beam wood, lignin content was significantly lower in the recent than the old tree rings (P=0.005). These variations can be attributed to species differences between the two woods (oak and pine respectively), with a mixture of guaiacyl and syringyl in hardwood lignin, whereas softwood lignin consists almost exclusively of guaiacyl moieties. The influence of environmental conditions on the FTIR fingerprint was probably reflected by enhanced oxidation of lignin in aerated conditions (beam wood) and hydrolysis of carbohydrates in submerged-anoxic conditions (shipwreck wood). Molecular characterization by analytical pyrolysis of selected samples from each wood type confirmed the interpretation of the mechanisms behind the variability in wood composition obtained by the FTIR-ATR. Copyright © 2015 Elsevier B.V. All rights reserved.

  1. Characterization of solar cell materials by Proton Back Scattering Spectroscopy

    International Nuclear Information System (INIS)

    Joynal Abedin, M.; Fazlul Hoque, A.K.M.; Firoz Hasan, S.M.

    2001-01-01

    The need for accurate chemical characterization of samples specially related to electronic and solar cell materials has assumed increasing importance in recent years. The importance of the study of the surfaces of materials of different origin also increased in recent years to a great extent. This need has created a worldwide spurt to develop rapid, accurate and sensitive tools for the characterization of materials. In recent years the proton backscattering spectrometry (PBS) method has been recognized as one of the useful analytical tool in several applications of material analysis and technology. The lack of information of the relevant scattering cross sections as a function of proton energy and the problems arising in conventional data analysis have so far rendered proton backscattering analysis of multielemental samples difficult at low energies. On the other hand advances in the computer evaluation of experimental data have, however, made it possible to utilize low-MeV protons as a sensitive probe for light elements in the μm range. The benefits of the method in comparison to alpha particle backscattering include the relatively higher non-Rutherford scattering cross sections of the light elements and to the lower proton stopping in the target material. These lead to higher sensitivity in detecting and profiling light elements in heavy targets and to significantly larger accessible depths and smaller straggling than with alpha particles. Research works on the development of methodologies of Proton Backscattering Spectrometry (PBS) for the analysis of thin films and surfaces has been in progress in the 3 MeV Van de Graaff Accelerator facilities of Atomic Energy Centre, Dhaka for some years. The PBS system comprises a target chamber with appropriate sample holders and a Surface Barrier Detector (SBD) with the associated electronics for data acquisition and reduction. For the evaluation of the PBS data RBS Universal Master Package, RUMP has been installed in the

  2. Characterization of Maize Grains with Different Pigmentation Investigated by Photoacoustic Spectroscopy

    Science.gov (United States)

    Rico Molina, R.; Hernández Aguilar, C.; Dominguez Pacheco, A.; Cruz-Orea, A.; López Bonilla, J. L.

    2014-10-01

    A knowledge of grains' optical parameters is of great relevance in the maize grain technology practice. Such parameters provide information about its absorption and reflectance, which in turn is related to its color. In the dough and tortilla industries, it is important to characterize this attribute of the corn kernel, as it is one of the attributes that directly affects the quality of the food product. Thus, it is important to have techniques that contribute to the characterization of this raw material. It is traditionally characterized by conventional methods, which usually destroy the grain and involve a laborious preparation of material plus they are expensive. The objective of this study was to determine the optical absorption coefficient for maize grains ( Zea mays L.) with different pigmentations by means of photoacoustic spectroscopy (PAS). The genotype A had bluish coloration and genotype B had yellowish coloration. In addition, the photoacoustic signal obtained by two methods was analyzed mathematically: the standard deviation and the first derivative; both results were compared (Fig. 1). In combination with mathematical analysis, PAS may be considered as a potential diagnostic tool for the characterization of the grains. [Figure not available: see fulltext.

  3. BATMAN beam properties characterization by the beam emission spectroscopy diagnostic

    International Nuclear Information System (INIS)

    Bonomo, F.; Ruf, B.; Schiesko, L.; Fantz, U.; Franzen, P.; Riedl, R.; Wünderlich, D.; Barbisan, M.; Pasqualotto, R.; Serianni, G.; Cristofaro, S.

    2015-01-01

    The ITER neutral beam heating systems are based on the production and acceleration of negative ions (H/D) up to 1 MV. The requirements for the beam properties are strict: a low core beam divergence (< 0.4 °) together with a low source pressure (≤ 0.3 Pa) would permit to reduce the ion losses along the beamline, keeping the stripping particle losses below 30%. However, the attainment of such beam properties is not straightforward. At IPP, the negative ion source testbed BATMAN (BAvarian Test MAchine for Negative ions) allows for deepening the knowledge of the determination of the beam properties. One of the diagnostics routinely used to this purpose is the Beam Emission Spectroscopy (BES): the H α light emitted in the beam is detected and the corresponding spectra are evaluated to estimate the beam divergence and the stripping losses. The BES number of lines of sight in BATMAN has been recently increased: five horizontal lines of sight providing a vertical profile of the beam permit to characterize the negative ion beam properties in relation to the source parameters. Different methods of H α spectra analysis are here taken into account and compared for the estimation of the beam divergence and the amount of stripping. In particular, to thoroughly study the effect of the space charge compensation on the beam divergence, an additional hydrogen injection line has been added in the tank, which allows for setting different background pressure values (one order of magnitude, from about 0.04 Pa up to the source pressure) in the beam drift region

  4. Use of photoacoustic mid-infrared spectroscopy to characterize soil properties and soil organic matter stability

    Science.gov (United States)

    Peltre, Clement; Bruun, Sander; Du, Changwen; Stoumann Jensen, Lars

    2014-05-01

    laboratory incubation and more classical soil parameters such as carbon and clay content for a range of 36 soils collected from various field experiments in Denmark. Partial least square (PLS) regression was used to correlate the collected FTIR-PAS spectra with the proportion of soil organic carbon mineralized after 34 weeks of incubation at 15° C and pF 2, taken as an indicator of the labile fraction of SOM. Results showed that it is possible to predict the labile fraction of SOM with FTIR PAS with similar accuracy as with NIRS (assessed in a previous study on the same soil set). FTIR-PAS offered the advantage over NIRS to allow identification of the chemical compounds positively or negatively correlated with the labile fraction of SOM. The band at 1612 cm-1 corresponding to polysaccharides, pectin and aromatic C=C was the band most positively correlated with labile SOM, which we attributed to the relative lability of fresh plant debris rich in polysaccharide and aromatic lignin. The band at 1560-1590 cm-1 assigned to N=H, C=N and aromatic C=C vibration was the band most negatively correlated with the labile fraction of SOM, confirming the abundance of nitrogenous and aromatic compounds in stabilized SOM. In conclusion, FTIR-PAS has proved to be a powerful tool to characterize the labile fraction of SOM, offering several benefits over reflectance spectroscopy techniques.

  5. NIR & MIR spectroscopy as an effective tool for detecting urban influences on soils

    Science.gov (United States)

    Brook, Anna; Kopel, Daniella; Wittenberg, Lea

    2016-04-01

    Soil supports ecosystem functions and services, sustains ecosystems and biodiversity, yet in the urban spreading world of today, soil as a resource is in constant danger. Human society takes for granted the services provided by open green patches allocated within and nearby cities, with no consideration of ramifications of urban development on those areas. The urban ecology science recognizes the need to learn, identify and monitor the soils of cities - urban soils. The definitions of those soils are mainly descriptive, since urban soils do not submitted to the pedological process as natural soils. The main objective of this paper is to characterize urban soils in open green undisturbed patches by mineralogical composition. This goal was achieved using field and laboratory spectroscopy across visible near, short wave infrared regions and laboratory thermal mid infrared region. The majority of the studies on urban soils concentrate on identifying and mapping of pollution mostly heavy metals. In this study a top-down analysis (a simple and intuitive spectral feature for detecting the presence of minerals, organic matter and pollutants in mixed soil samples) is applied. This method uses spectral activity (SA) detection in a structured hierarchical approach to quickly and, more importantly, correctly identify dominant spectral features. The applied method is adopted by multiple in-production tools including continuum removal normalization, guided by polynomial generalization, and spectral-likelihood algorithms: orthogonal subspace projection (OSP) and iterative spectral mixture analysis (ISMA) were compared to feature likelihood methods. A total of 70 soil samples were collected at different locations: in remnant area within the city (edge and core), on the borders of the neighborhoods (edge) and in the fringe zone and in 2 locations in the protected park. The park samples were taken in locations found more than 100m from roads or direct anthropogenic disturbances. The

  6. Point defects in gallium arsenide characterized by positron annihilation spectroscopy and deep level transient spectroscopy

    International Nuclear Information System (INIS)

    Mih, R.; Gronsky, R.; Sterne, P.A.

    1995-01-01

    Positron annihilation lifetime spectroscopy (PALS) is a unique technique for detection of vacancy related defects in both as-grown and irradiated materials. The authors present a systematic study of vacancy defects in stoichiometrically controlled p-type Gallium Arsenide grown by the Hot-Wall Czochralski method. Microstructural information based on PALS, was correlated to crystallographic data and electrical measurements. Vacancies were detected and compared to electrical levels detected by deep level transient spectroscopy and stoichiometry based on crystallographic data

  7. Infrared characterization of environmental samples by pulsed photothermal spectroscopy

    International Nuclear Information System (INIS)

    Seidel, W.; Foerstendorf, H.; Heise, K.H.; Nicolai, R.; Schamlott, A.; Ortega, J.M.; Glotin, F.; Prazeres, R.

    2004-01-01

    Low concentration of toxic radioactive metals in environmental samples often limits the interpretation of results of infrared studies investigating the interaction processes between the metal ions and environmental compartments. For the first time, we could show that photothermal infrared spectroscopy performed with a pulsed free electron laser can provide reliable infrared spectra throughout a distinct spectral range of interest. In this model investigation, we provide vibrational absorption spectra of a rare earth metal salt dissolved in a KBr matrix and a natural calcite sample obtained by photothermal beam deflection (PTBD) technique and FT-IR (Fourier-transform infrared) spectroscopy, respectively. General agreement was found between all spectra of the different recording techniques. Spectral deviations were observed with samples containing low concentration of the rare earth metal salt indicating a lower detection limit of the photothermal method as compared to conventional FT-IR spectroscopy. (authors)

  8. The use of UV-visible reflectance spectroscopy as an objective tool to evaluate pearl quality.

    Science.gov (United States)

    Agatonovic-Kustrin, Snezana; Morton, David W

    2012-07-01

    Assessing the quality of pearls involves the use of various tools and methods, which are mainly visual and often quite subjective. Pearls are normally classified by origin and are then graded by luster, nacre thickness, surface quality, size, color and shape. The aim of this study was to investigate the capacity of Artificial Neural Networks (ANNs) to classify and estimate the quality of 27 different pearls from their UV-Visible spectra. Due to the opaque nature of pearls, spectroscopy measurements were performed using the Diffuse Reflectance UV-Visible spectroscopy technique. The spectra were acquired at two different locations on each pearl sample in order to assess surface homogeneity. The spectral data (inputs) were smoothed to reduce the noise, fed into ANNs and correlated to the pearl's quality/grading criteria (outputs). The developed ANNs were successful in predicting pearl type, mollusk growing species, possible luster and color enhancing, donor condition/type, recipient/host color, donor color, pearl luster, pearl color, origin. The results of this study shows that the developed UV-Vis spectroscopy-ANN method could be used as a more objective method of assessing pearl quality (grading) and may become a valuable tool for the pearl grading industry.

  9. Magnetic resonance spectroscopy (MRS) of vertebral column – an additional tool for evaluation of aggressiveness of vertebral haemangioma like lesion

    International Nuclear Information System (INIS)

    Jeromel, Miran; Podobnik, Janez

    2014-01-01

    Most vertebral haemangioma are asymptomatic and discovered incidentally. Sometimes the symptomatic lesions present with radiological signs of aggressiveness and their appearance resemble other aggressive lesions (e.g. solitary plasmacytoma). We present a patient with large symptomatic aggressive haemangioma like lesion in 12 th thoracic vertebra in which a magnetic resonance spectroscopy (MRS) was used to analyse fat content within the lesion. The lesion in affected vertebrae showed low fat content with 33% of fat fraction (%FF). The fat content in non-affected (1 st lumbar) vertebra was as expected for patient’s age (68%). Based on MRS data, the lesion was characterized as an aggressive haemangioma. The diagnosis was confirmed with biopsy, performed during the treatment – percutaneous vertebroplasty. The presented case shows that MRS can be used as an additional tool for evaluation of aggressiveness of vertebral haemangioma like lesions

  10. Structural characterization of ammonium uranate by infrared spectroscopy

    International Nuclear Information System (INIS)

    Rodriguez S, A.

    1994-01-01

    Infrared spectroscopy have been used to investigate the chemical composition of some ammonium uranates. In this study, I have attempted to establish the interrelationship between the structure of the products, the character of their infrared spectra and x-ray diffraction data capable of consistent interpretation in terms of defining the compounds. (Author)

  11. Detailed characterization of anode-supported SOFCs by impedance spectroscopy

    DEFF Research Database (Denmark)

    Barfod, R.; Mogensen, Mogens Bjerg; Klemensø, Trine

    2007-01-01

    Anode-supported thin electrolyte cells are studied by electrochemical impedance spectroscopy (EIS). The aim is to describe how the losses of this type of cells are distributed at low current density (around open-circuit voltage) as a function of temperature. An equivalent circuit consisting...

  12. Characterization of Ge-nanocrystal films with photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Bostedt, C.; Buuren, T. van; Willey, T.M.; Nelson, A.J.; Franco, N.; Moeller, T.; Terminello, L.J.

    2003-01-01

    The Ge 3d core-levels of germanium nanocrystal films have been investigated by means of photoelectron spectroscopy. The experiments indicate bulk-like coordinated atoms in the nanocrystals and suggest structured disorder on the nanoparticle surface. The results underline the importance of the surface on the overall electronic structure of this class of nanostructured materials

  13. Characterization of a magnetic trap by polarization dependent Zeeman spectroscopy

    DEFF Research Database (Denmark)

    Nielsen, Carsten Vandel; Lyngsøe, Jens Kristian; Thorseth, Anders

    2008-01-01

    This paper demonstrates a detailed experimental study of our cloverleaf magnetic trap for sodium atoms. By using polarization dependent Zeeman spectroscopy of our atomic beam, passing the magnetic trap region, we have determined important trap parameters such as gradients, their curvatures...

  14. Fourier Transform Infrared Spectroscopy (FTIR) as a Tool for the Identification and Differentiation of Pathogenic Bacteria.

    Science.gov (United States)

    Zarnowiec, Paulina; Lechowicz, Łukasz; Czerwonka, Grzegorz; Kaca, Wiesław

    2015-01-01

    Methods of human bacterial pathogen identification need to be fast, reliable, inexpensive, and time efficient. These requirements may be met by vibrational spectroscopic techniques. The method that is most often used for bacterial detection and identification is Fourier transform infrared spectroscopy (FTIR). It enables biochemical scans of whole bacterial cells or parts thereof at infrared frequencies (4,000-600 cm(-1)). The recorded spectra must be subsequently transformed in order to minimize data variability and to amplify the chemically-based spectral differences in order to facilitate spectra interpretation and analysis. In the next step, the transformed spectra are analyzed by data reduction tools, regression techniques, and classification methods. Chemometric analysis of FTIR spectra is a basic technique for discriminating between bacteria at the genus, species, and clonal levels. Examples of bacterial pathogen identification and methods of differentiation up to the clonal level, based on infrared spectroscopy, are presented below.

  15. Selecting analytical tools for characterization of polymersomes in aqueous solution

    DEFF Research Database (Denmark)

    Habel, Joachim Erich Otto; Ogbonna, Anayo; Larsen, Nanna

    2015-01-01

    /purification. Of the analytical methods tested, Cryo-transmission electron microscopy and atomic force microscopy (AFM) turned out to be advantageous for polymersomes with smaller diameter than 200 nm, whereas confocal microscopy is ideal for diameters >400 nm. Polymersomes in the intermediate diameter range can be characterized...... using freeze fracture Cryo-scanning electron microscopy (FF-Cryo-SEM) and nanoparticle tracking analysis (NTA). Small angle X-ray scattering (SAXS) provides reliable data on bilayer thickness and internal structure, Cryo-TEM on multilamellarity. Taken together, these tools are valuable...

  16. Selecting analytical tools for characterization of polymersomes in aqueous solution

    DEFF Research Database (Denmark)

    Habel, Joachim Erich Otto; Ogbonna, Anayo; Larsen, Nanna

    2015-01-01

    Selecting the appropriate analytical methods for characterizing the assembly and morphology of polymer-based vesicles, or polymersomes are required to reach their full potential in biotechnology. This work presents and compares 17 different techniques for their ability to adequately report size....../purification. Of the analytical methods tested, Cryo-transmission electron microscopy and atomic force microscopy (AFM) turned out to be advantageous for polymersomes with smaller diameter than 200 nm, whereas confocal microscopy is ideal for diameters >400 nm. Polymersomes in the intermediate diameter range can be characterized...... using freeze fracture Cryo-scanning electron microscopy (FF-Cryo-SEM) and nanoparticle tracking analysis (NTA). Small angle X-ray scattering (SAXS) provides reliable data on bilayer thickness and internal structure, Cryo-TEM on multilamellarity. Taken together, these tools are valuable...

  17. Application of Moessbauer spectroscopy for the characterization of iron-containing catalysts

    International Nuclear Information System (INIS)

    Phillips, J.

    1998-01-01

    Work in our laboratory demonstrates the unique analytical power as well as the limits of Moessbauer Spectroscopy (MES) as a tool for characterizing the size and phase of supported iron containing catalyst particles, particularly carbon supported catalysts. The major challenge in employing MES to characterize catalytic particles is understanding the impact of the relaxation effects on the spectra. Proper methods yield particle size and phase information, whereas improper interpretation can lead to the misidentification of phases. This is illustrated by feeding ersatz 'relaxed' spectra data, generated mathematically with a program which accounts for all aspects of relaxation, to a standard fitting routine. The fitting routine misinterprets the data and provides false phase identification. Methods for recognizing relaxation phenomena and strategies for extracting correct information from relaxed spectra are reviewed. Also reviewed are the major findings of studies on carbon supported catalysts. For example, MES studies, in conjunction with other techniques, demonstrate that bulk and surface structures which are easily accessible for carbon supported bimetallics are generally not found on refractory oxides

  18. Fluorescence spectroscopy as a tool for determination of organic matter removal efficiency at water treatment works

    Directory of Open Access Journals (Sweden)

    M. Z. Bieroza

    2010-04-01

    Full Text Available Organic matter (OM in drinking water treatment is a common impediment responsible for increased coagulant and disinfectant dosages, formation of carcinogenic disinfection-by products, and microbial re-growth in distribution system. The inherent heterogeneity of OM implies the utilization of advanced analytical techniques for its characterization and assessment of removal efficiency. Here, the application of simple fluorescence excitation-emission technique to OM characterization in drinking water treatment is presented. The fluorescence data of raw and clarified water was obtained from 16 drinking water treatment works. The reduction in fulvic-like fluorescence was found to significantly correlate with OM removal measured with total organic carbon (TOC. Fluorescence properties, fulvic- and tryptophan-like regions, were found to discriminate OM fractions of different removal efficiencies. The results obtained in the study show that fluorescence spectroscopy provides a rapid and accurate characterization and quantification of OM fractions and indication of their treatability in conventional water treatment.

  19. Defect Characterization in Semiconductors with Positron Annihilation Spectroscopy

    Science.gov (United States)

    Tuomisto, Filip

    Positron annihilation spectroscopy is an experimental technique that allows the selective detection of vacancy defects in semiconductors, providing a means to both identify and quantify them. This chapter gives an introduction to the principles of the positron annihilation techniques and then discusses the physics of some interesting observations on vacancy defects related to growth and doping of semiconductors. Illustrative examples are selected from studies performed in silicon, III-nitrides, and ZnO.

  20. Photoluminescence as a tool for characterizing point defects in semiconductors

    Science.gov (United States)

    Reshchikov, Michael

    2012-02-01

    Photoluminescence is one of the most powerful tools used to study optically-active point defects in semiconductors, especially in wide-bandgap materials. Gallium nitride (GaN) and zinc oxide (ZnO) have attracted considerable attention in the last two decades due to their prospects in optoelectronics applications, including blue and ultraviolet light-emitting devices. However, in spite of many years of extensive studies and a great number of publications on photoluminescence from GaN and ZnO, only a few defect-related luminescence bands are reliably identified. Among them are the Zn-related blue band in GaN, Cu-related green band and Li-related orange band in ZnO. Numerous suggestions for the identification of other luminescence bands, such as the yellow band in GaN, or green and yellow bands in ZnO, do not stand up under scrutiny. In these conditions, it is important to classify the defect-related luminescence bands and find their unique characteristics. In this presentation, we will review the origin of the major luminescence bands in GaN and ZnO. Through simulations of the temperature and excitation intensity dependences of photoluminescence and by employing phenomenological models we are able to obtain important characteristics of point defects such as carrier capture cross-sections for defects, concentrations of defects, and their charge states. These models are also used to find the absolute internal quantum efficiency of photoluminescence and obtain information about nonradiative defects. Results from photoluminescence measurements will be compared with results of the first-principle calculations, as well as with the experimental data obtained by other techniques such as positron annihilation spectroscopy, deep-level transient spectroscopy, and secondary ion mass spectrometry.

  1. Conversion electron Moessbauer spectroscopy of plasma immersion ion implanted H13 tool steel

    International Nuclear Information System (INIS)

    Terwagne, G.; Hutchings, R.

    1994-01-01

    Conversion electron Moessbauer spectroscopy (CEMS) has been used to investigate nitride formation in AISI-H13 tool steel after treatment by plasma immersion ion implantation (PI 3 ) at 350 C. With only slight variation in the plasma conditions, it is possible to influence the kinetics of nitride precipitation so as to obtain nitrogen concentrations that range from those associated with ε-Fe 2 N through ε-Fe 3 N to γ'-Fe 4 N. The CEMS results enable a more definite identification of the nitrides than that obtained by glancing-angle X-ray diffraction and nuclear reaction analysis alone. (orig.)

  2. Conversion electron Mössbauer spectroscopy of plasma immersion ion implanted H13 tool steel

    Science.gov (United States)

    Terwagne, G.; Collins, G. A.; Hutchings, R.

    1994-12-01

    Conversion electron Mössbauer spectroscopy (CEMS) has been used to investigate nitride formation in AISI-H13 tool steel after treatment by plasma immersion ion implantation (PI3) at 350 °C. With only slight variation in the plasma conditions, it is possible to influence the kinetics of nitride precipitation so as to obtain nitrogen concentrations that range from those associated with ɛ-Fe2N through ɛ-Fe3N to γ'-Fe4N. The CEMS results enable a more definite identification of the nitrides than that obtained by glancing-angle X-ray diffraction and nuclear reaction analysis alone.

  3. Spectroscopy

    CERN Document Server

    Walker, S

    1976-01-01

    The three volumes of Spectroscopy constitute the one comprehensive text available on the principles, practice and applications of spectroscopy. By giving full accounts of those spectroscopic techniques only recently introduced into student courses - such as Mössbauer spectroscopy and photoelectron spectroscopy - in addition to those techniques long recognised as being essential in chemistry teaching - sucha as e.s.r. and infrared spectroscopy - the book caters for the complete requirements of undergraduate students and at the same time provides a sound introduction to special topics for graduate students.

  4. Neuroimaging in Parkinsonism: a study with magnetic resonance and spectroscopy as tools in the differential diagnosis

    Energy Technology Data Exchange (ETDEWEB)

    Vasconcellos, Luiz Felipe Rocha [1Hospital dos Servidores do Estado, Rio de Janeiro RJ (Brazil)], e-mail: luizneurol@terra.com.br; Novis, Sergio A. Pereira; Rosso, Ana Lucia Z. [Hospital Universitario Clementino Fraga Filho (HUCFF), Rio de Janeiro, RJ (Brazil); Moreira, Denise Madeira [Universidade Federal do Rio de Janeiro (UFRJ), RJ (Brazil). Inst. de Neurologia Deolindo Couto; Leite, Ana Claudia C.B. [Fundacao Oswaldo Cruz (FIOCRUZ), Rio de Janeiro, RJ (Brazil)

    2009-03-15

    The differential diagnosis of Parkinsonism based on clinical features, sometimes may be difficult. Diagnostic tests in these cases might be useful, especially magnetic resonance imaging, a noninvasive exam, not as expensive as positron emission tomography, and provides a good basis for anatomical analysis. The magnetic resonance spectroscopy analyzes cerebral metabolism, yielding inconsistent results in parkinsonian disorders. We selected 40 individuals for magnetic resonance imaging and spectroscopy analysis, 12 with Parkinson's disease, 11 with progressive supranuclear palsy, 7 with multiple system atrophy (parkinsonian type), and 10 individuals without any psychiatric or neurological disorders (controls). Clinical scales included Hoenh and Yahr, unified Parkinson's disease rating scale and mini mental status examination. The results showed that patients with Parkinson's disease and controls presented the same aspects on neuroimaging, with few or absence of abnormalities, and supranuclear progressive palsy and multiple system atrophy showed abnormalities, some of which statistically significant. Thus, magnetic resonance imaging and spectroscopy could be useful as a tool in differential diagnosis of Parkinsonism. (author)

  5. Neuroimaging in Parkinsonism: a study with magnetic resonance and spectroscopy as tools in the differential diagnosis

    International Nuclear Information System (INIS)

    Vasconcellos, Luiz Felipe Rocha; Novis, Sergio A. Pereira; Rosso, Ana Lucia Z.; Moreira, Denise Madeira

    2009-01-01

    The differential diagnosis of Parkinsonism based on clinical features, sometimes may be difficult. Diagnostic tests in these cases might be useful, especially magnetic resonance imaging, a noninvasive exam, not as expensive as positron emission tomography, and provides a good basis for anatomical analysis. The magnetic resonance spectroscopy analyzes cerebral metabolism, yielding inconsistent results in parkinsonian disorders. We selected 40 individuals for magnetic resonance imaging and spectroscopy analysis, 12 with Parkinson's disease, 11 with progressive supranuclear palsy, 7 with multiple system atrophy (parkinsonian type), and 10 individuals without any psychiatric or neurological disorders (controls). Clinical scales included Hoenh and Yahr, unified Parkinson's disease rating scale and mini mental status examination. The results showed that patients with Parkinson's disease and controls presented the same aspects on neuroimaging, with few or absence of abnormalities, and supranuclear progressive palsy and multiple system atrophy showed abnormalities, some of which statistically significant. Thus, magnetic resonance imaging and spectroscopy could be useful as a tool in differential diagnosis of Parkinsonism. (author)

  6. Laser induced breakdown spectroscopy (LIBS) as a rapid tool for material analysis

    International Nuclear Information System (INIS)

    Hussain, T; Gondal, M A

    2013-01-01

    Laser induced breakdown spectroscopy (LIBS) is a novel technique for elemental analysis based on laser-generated plasma. In this technique, laser pulses are applied for ablation of the sample, resulting in the vaporization and ionization of sample in hot plasma which is finally analyzed by the spectrometer. The elements are identified by their unique spectral signatures. LIBS system was developed for elemental analysis of solid and liquid samples. The developed system was applied for qualitative as well as quantitative measurement of elemental concentration present in iron slag and open pit ore samples. The plasma was generated by focusing a pulsed Nd:YAG laser at 1064 nm on test samples to study the capabilities of LIBS as a rapid tool for material analysis. The concentrations of various elements of environmental significance such as cadmium, calcium, magnesium, chromium, manganese, titanium, barium, phosphorus, copper, iron, zinc etc., in these samples were determined. Optimal experimental conditions were evaluated for improving the sensitivity of developed LIBS system through parametric dependence study. The laser-induced breakdown spectroscopy (LIBS) results were compared with the results obtained using standard analytical technique such as inductively couple plasma emission spectroscopy (ICP). Limit of detection (LOD) of our LIBS system were also estimated for the above mentioned elements. This study demonstrates that LIBS could be highly appropriate for rapid online analysis of iron slag and open pit waste.

  7. Laser induced breakdown spectroscopy (LIBS) as a rapid tool for material analysis

    Science.gov (United States)

    Hussain, T.; Gondal, M. A.

    2013-06-01

    Laser induced breakdown spectroscopy (LIBS) is a novel technique for elemental analysis based on laser-generated plasma. In this technique, laser pulses are applied for ablation of the sample, resulting in the vaporization and ionization of sample in hot plasma which is finally analyzed by the spectrometer. The elements are identified by their unique spectral signatures. LIBS system was developed for elemental analysis of solid and liquid samples. The developed system was applied for qualitative as well as quantitative measurement of elemental concentration present in iron slag and open pit ore samples. The plasma was generated by focusing a pulsed Nd:YAG laser at 1064 nm on test samples to study the capabilities of LIBS as a rapid tool for material analysis. The concentrations of various elements of environmental significance such as cadmium, calcium, magnesium, chromium, manganese, titanium, barium, phosphorus, copper, iron, zinc etc., in these samples were determined. Optimal experimental conditions were evaluated for improving the sensitivity of developed LIBS system through parametric dependence study. The laser-induced breakdown spectroscopy (LIBS) results were compared with the results obtained using standard analytical technique such as inductively couple plasma emission spectroscopy (ICP). Limit of detection (LOD) of our LIBS system were also estimated for the above mentioned elements. This study demonstrates that LIBS could be highly appropriate for rapid online analysis of iron slag and open pit waste.

  8. Optical tool for salinity detection by remote sensing spectroscopy: application on Oran watershed, Algeria

    Science.gov (United States)

    Abdellatif, Dehni; Mourad, Lounis

    2017-07-01

    Soil salinity is a complex problem that affects groundwater aquifers and agricultural lands in the semiarid regions. Remote sensing and spectroscopy database systems provide accuracy for salinity autodetection and dynamical delineation. Salinity detection techniques using polychromatic wavebands by field geocomputation and experimental data are time consuming and expensive. This paper presents an automated spectral detection and identification of salt minerals using a monochromatic waveband concept from multispectral bands-Landsat 8 Operational Land Imager (OLI) and Thermal InfraRed Sensor (TIRS) and spectroscopy United States Geological Survey database. For detecting mineral salts related to electrolytes, such as electronical and vibrational transitions, an integrated approach of salinity detection related to the optical monochromatic concept has been addressed. The purpose of this paper is to discriminate waveband intrinsic spectral similarity using the Beer-Lambert and Van 't Hoff laws for spectral curve extraction such as transmittance, reflectance, absorbance, land surface temperature, molar concentration, and osmotic pressure. These parameters are primordial for hydrodynamic salinity modeling and continuity identification using chemical and physical approaches. The established regression fitted models have been addressed for salt spectroscopy validation for suitable calibration and validation. Furthermore, our analytical tool is conducted for better decision interface using spectral salinity detection and identification in the Oran watershed, Algeria.

  9. Characterization of fossil remains using XRF, XPS and XAFS spectroscopies

    International Nuclear Information System (INIS)

    Zougrou, I M; Katsikini, M; Pinakidou, F; Paloura, E C; Brzhezinskaya, M; Papadopoulou, L; Vlachos, E; Tsoukala, E

    2016-01-01

    Synchrotron radiation micro-X-Ray Fluorescence (μ-XRF), X-ray photoelectron (XPS) and X-ray Absorption Fine Structure (XAFS) spectroscopies are applied for the study of paleontological findings. More specifically the costal plate of a gigantic terrestrial turtle Titanochelon bacharidisi and a fossilized coprolite of the cave spotted hyena Crocuta crocuta spelaea are studied. Ca L 2,3 -edge NEXAFS and Ca 2p XPS are applied for the identification and quantification of apatite and Ca containing minerals. XRF mapping and XAFS are employed for the study of the spatial distribution and speciation of the minerals related to the deposition environment. (paper)

  10. Electrochemical Characterization of a PEMEC Using Impedance Spectroscopy

    DEFF Research Database (Denmark)

    Elsøe, Katrine; Grahl-Madsen, L.; Hjelm, Johan

    2017-01-01

    In this study, electrochemical impedance spectroscopy (EIS) is applied in combination with cyclic voltammetry (CV) and current density – cell voltage curves (iV-curves) to investigate the processes contributing to the total impedance of a polymer electrolyte membrane electrolysis cell (PEMEC). i......V-curves were linear above 0.35 A cm−2 implying ohmic processes to be performance limiting, however the impedance spectra showed three arcs indicating three electrochemical reactions at these conditions not to be purely ohmic, but also to have capacitive properties. A hypothesis that the composite Ir...

  11. Characterization of oil-producing microalgae using Raman spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Samek, Ota; Zemánek, Pavel; Jonáš, Alexandr; Telle, H.H.

    2011-01-01

    Roč. 8, č. 10 (2011), s. 701-709 ISSN 1612-2011 R&D Projects: GA MŠk OC08034; GA MŠk ED0017/01/01; GA ČR GAP205/11/1687 Grant - others:EC(XE) PERG 06-GA-2009-256526 Institutional research plan: CEZ:AV0Z20650511 Keywords : Raman spectroscopy * algae * lipids * biofuel * iodine value * microorganisms Subject RIV: BH - Optics, Masers, Lasers Impact factor: 9.970, year: 2011

  12. Optical characterization of semiconductors infrared, Raman, and photoluminescence spectroscopy

    CERN Document Server

    Perkowitz, Sidney

    1993-01-01

    This is the first book to explain, illustrate, and compare the most widely used methods in optics: photoluminescence, infrared spectroscopy, and Raman scattering. Written with non-experts in mind, the book develops the background needed to understand the why and how of each technique, but does not require special knowledge of semiconductors or optics. Each method is illustrated with numerous case studies. Practical information drawn from the authors experience is given to help establish optical facilities, including commercial sources for equipment, and experimental details. For industrial sci

  13. Breast phantom for mammary tissue characterization by near infrared spectroscopy

    International Nuclear Information System (INIS)

    Miranda, D A; Cristiano, K L; Gutiérrez, J C

    2013-01-01

    Breast cancer is a disease associated to a high morbidity and mortality in the entire world. In the study of early detection of breast cancer the development of phantom is so important. In this research we fabricate a breast phantom using a ballistic gel with special modifications to simulate a normal and abnormal human breast. Optical properties of woman breast in the near infrared region were modelled with the phantom we developed. The developed phantom was evaluated with near infrared spectroscopy in order to study its relation with breast tissue. A good optical behaviour was achieved with the model fabricated

  14. Characterization of Momordica charantia Ussing FT-IR Spectroscopy

    Directory of Open Access Journals (Sweden)

    Attila Keseru

    2016-11-01

    In this paper, because earlier claim shows that the plant used as stomachic, carminative, tonic, antipyretic, antidiabetic, in rheumatoid arthritis and gout, the present investigation was carried to characterized a principal components of plant using FT-IR technique

  15. Using polarized Raman spectroscopy and the pseudospectral method to characterize molecular structure and function

    Science.gov (United States)

    Weisman, Andrew L.

    Electronic structure calculation is an essential approach for determining the structure and function of molecules and is therefore of critical interest to physics, chemistry, and materials science. Of the various algorithms for calculating electronic structure, the pseudospectral method is among the fastest. However, the trade-off for its speed is more up-front programming and testing, and as a result, applications using the pseudospectral method currently lag behind those using other methods. In Part I of this dissertation, we first advance the pseudospectral method by optimizing it for an important application, polarized Raman spectroscopy, which is a well-established tool used to characterize molecular properties. This is an application of particular importance because often the easiest and most economical way to obtain the polarized Raman spectrum of a material is to simulate it; thus, utilization of the pseudospectral method for this purpose will accelerate progress in the determination of molecular properties. We demonstrate that our implementation of Raman spectroscopy using the pseudospectral method results in spectra that are just as accurate as those calculated using the traditional analytic method, and in the process, we derive the most comprehensive formulation to date of polarized Raman intensity formulas, applicable to both crystalline and isotropic systems. Next, we apply our implementation to determine the orientations of crystalline oligothiophenes -- a class of materials important in the field of organic electronics -- achieving excellent agreement with experiment and demonstrating the general utility of polarized Raman spectroscopy for the determination of crystal orientation. In addition, we derive from first-principles a method for using polarized Raman spectra to establish unambiguously whether a uniform region of a material is crystalline or isotropic. Finally, we introduce free, open-source software that allows a user to determine any of a

  16. Fast characterization of solid organic waste content with near infrared spectroscopy in anaerobic digestion.

    Science.gov (United States)

    Charnier, Cyrille; Latrille, Eric; Jimenez, Julie; Lemoine, Margaux; Boulet, Jean-Claude; Miroux, Jérémie; Steyer, Jean-Philippe

    2017-01-01

    The development of anaerobic digestion involves both co-digestion of solid wastes and optimization of the feeding recipe. Within this context, substrate characterisation is an essential issue. Although it is widely used, the biochemical methane potential is not sufficient to optimize the operation of anaerobic digestion plants. Indeed the biochemical composition in carbohydrates, lipids, proteins and the chemical oxygen demand of the inputs are key parameters for the optimisation of process performances. Here we used near infrared spectroscopy as a robust and less-time consuming tool to predict the solid waste content in carbohydrates, lipids and nitrogen, and the chemical oxygen demand. We built a Partial Least Square regression model with 295 samples and validated it with an independent set of 46 samples across a wide range of solid wastes found in anaerobic digestion units. The standard errors of cross-validation were 90mgO 2 ⋅gTS -1 carbohydrates, 2.5∗10 -2 g⋅gTS -1 lipids, 7.2∗10 -3 g⋅gTS -1 nitrogen and 99mgO 2 ⋅gTS -1 chemical oxygen demand. The standard errors of prediction were 53mgO 2 ⋅gTS -1 carbohydrates, 3.2∗10 -2 g⋅gTS -1 lipids, 8.6∗10 -3 g⋅gTS -1 nitrogen and 83mgO 2 ⋅gTS -1 chemical oxygen demand. These results show that near infrared spectroscopy is a new fast and cost-efficient way to characterize solid wastes content and improve their anaerobic digestion monitoring. Copyright © 2016 Elsevier Ltd. All rights reserved.

  17. Mid-infrared spectroscopy for characterization of Baltic amber (succinite)

    Science.gov (United States)

    Wagner-Wysiecka, Ewa

    2018-05-01

    Natural Baltic amber (succinite) is the most appreciated fossil resin of the rich cultural traditions dating back to prehistoric times. Its unequivocal identification is extremely important in many branches of science and trades including archeology, paleontology, chemistry and finally mineralogical and gemological societies. Current methods of modification of natural succinite are more and more sophisticated making the identification of natural Baltic amber often challenging. In article the systematic analytical approach for identification of natural and modified under different conditions succinite, using mid-infrared spectroscopy (transmission, Drifts and ATR techniques) is presented. The correlation between spectral characteristics and properties of succinite is discussed pointing that the understanding of the nature of changes is the key of identification of this precious material.

  18. The Moessbauer spectroscopy in the characterization of atmospheric corrosion products

    International Nuclear Information System (INIS)

    Hernandez Torres, D.; Leiva Ronda, P.; Gomez, J.; Ronda, M.

    1996-01-01

    A study of corrosion products on mild steel formed after 1 and 5 years exposure in two industrial coastal weathering stations in the Bay from Matanzas City, Cuba, has been carried out. Structural analysis was conducted using mainly transmission Moessbauer Spectroscopy and the X-ray diffraction as complementary technique. The main phases found in the specimen exposed to high chloride containing environment were: lepidocrocite (γ- FeOOH), goethite (α- FeOOH) and magnetite concentration was the lowest, the phases found were γ- FeOOH and α- FeOOH, and the phase transformation proposed was γ- FeOOh -> α- Fe-OOH. In this station were found also amorphous corrosion products. There amorphous phases could be responsible for the lowest levels of corrosion on steel in this station

  19. PIXE as a characterization technique in the cutting tool industry

    International Nuclear Information System (INIS)

    Freemantle, C.S.; Sacks, N.; Topic, M.; Pineda-Vargas, C.A.

    2014-01-01

    Two WC–Co powders have been analyzed using micro-PIXE to identify elemental concentration and distribution. A powder recycled primarily from used mining components and a powder produced exclusively from fresh raw materials was studied. Elemental mapping of major elements as well as impurities, within powder granule cross sections, was performed. Contaminants (e.g. Fe and Ni) from manufacturing processes, as well as trace impurities (e.g. Cr, Cl, Ca and S) from recycling were detected, quantified and compared. The extent of increased concentrations of impurities resulting from recycling were observed, demonstrating the potential for PIXE as a characterization tool for detecting trace elements in cemented carbides, allowing for future improvements in the manufacturing and recycling processes

  20. Micromechanical String Resonators: Analytical Tool for Thermal Characterization of Polymers

    DEFF Research Database (Denmark)

    Bose, Sanjukta; Schmid, Silvan; Larsen, Tom

    2014-01-01

    Resonant microstrings show promise as a new analytical tool for thermal characterization of polymers with only few nanograms of sample. The detection of the glass transition temperature (Tg) of an amorphous poly(d,l-lactide) (PDLLA) and a semicrystalline poly(l-lactide) (PLLA) is investigated....... The polymers are spray coated on one side of the resonating microstrings. The resonance frequency and quality factor (Q) are measured simultaneously as a function of temperature. Change in the resonance frequency reflects a change in static tensile stress, which yields information about the Young’s modulus...... of the polymer, and a change in Q reflects the change in damping of the polymer-coated string. The frequency response of the microstring is validated with an analytical model. From the frequency independent tensile stress change, static Tg values of 40.6 and 57.6 °C were measured for PDLLA and PLLA, respectively...

  1. CHARACTERIZATION OF NEW TOOL STEEL FOR ALUMINUM EXTRUSION DIES

    Directory of Open Access Journals (Sweden)

    José Britti Bacalhau

    2014-06-01

    Full Text Available Aluminum extrusion dies are an important segment of application on industrial tools steels, which are manufactured in steels based on AISI H13 steel. The main properties of steels applied to extrusion dies are: wear resistance, impact resistance and tempering resistance. The present work discusses the characteristics of a newly developed hot work steel to be used on aluminum extrusion dies. The effects of Cr and Mo contents with respect to tempering resistance and the Al addition on the nitriding response have been evaluated. From forged steel bars, Charpy impact test and characterization via EPMA have been conducted. The proposed contents of Cr, Mo, and Al have attributed to the new VEX grade a much better tempering resistance than H13, as well as a deeper and harder nitrided layer. Due to the unique characteristics, this new steel provides an interesting alternative to the aluminum extrusion companies to increase their competitiveness.

  2. PIXE as a characterization technique in the cutting tool industry

    Energy Technology Data Exchange (ETDEWEB)

    Freemantle, C.S., E-mail: chris@freemantle.co.za [School of Chemical and Metallurgical Engineering and DST/NRF Centre of Excellence in Strong Materials, University of the Witwatersrand, P/Bag 3, Wits 2050 (South Africa); Pilot Tools (Pty) (Ltd.), P.O. Box 27559, Benrose 2011 (South Africa); Sacks, N. [School of Chemical and Metallurgical Engineering and DST/NRF Centre of Excellence in Strong Materials, University of the Witwatersrand, P/Bag 3, Wits 2050 (South Africa); Topic, M. [iThemba LABS, National Research Foundation, P.O. Box 722, Somerset West 7129 (South Africa); Pineda-Vargas, C.A. [iThemba LABS, National Research Foundation, P.O. Box 722, Somerset West 7129 (South Africa); Faculty of Health and Wellness Sciences, CPUT, Bellville (South Africa)

    2014-01-01

    Two WC–Co powders have been analyzed using micro-PIXE to identify elemental concentration and distribution. A powder recycled primarily from used mining components and a powder produced exclusively from fresh raw materials was studied. Elemental mapping of major elements as well as impurities, within powder granule cross sections, was performed. Contaminants (e.g. Fe and Ni) from manufacturing processes, as well as trace impurities (e.g. Cr, Cl, Ca and S) from recycling were detected, quantified and compared. The extent of increased concentrations of impurities resulting from recycling were observed, demonstrating the potential for PIXE as a characterization tool for detecting trace elements in cemented carbides, allowing for future improvements in the manufacturing and recycling processes.

  3. Electrochemical impedance spectroscopy: An effective tool for a fast microbiological diagnosis

    International Nuclear Information System (INIS)

    Ramirez, Nardo; Regueiro, Angel; Arias, Olimpia; Contreras, Rolando

    2009-01-01

    Dielectric spectroscopy, also called electrochemical impedance spectroscopy, is traditionally used in monitoring corrosion and electro-deposition processes in the coating and characterization assessment of many kinds of sensors and semi-conductors. Its application in biotechnology for the characterization of cell cultures has, however, been notably expanded in the last decade. As a transductional principle, impedance has been applied in the field of microbiology as a means of detecting and quantifying pathogenic bacteria. This paper reviews the state-of-the-art of Impedance Microbiology, its progress and its applications for the detection of foodborne pathogenic bacteria, including the use of interdigitated microelectrodes, the development of chip-based impedance microbiology and the integration of impedance biosensors along with other techniques such as dielectrophoresis and electropermeabilization. Reference is made to basic components, definitions and principles of this technique, as well as to the explanation of the components and principles for cell culture design and the use of equivalent circuits for the analysis of the systems based on this alternative. (Author)

  4. In vivo characterization of colorectal metastases in human liver using diffuse reflectance spectroscopy: toward guidance in oncological procedures

    Science.gov (United States)

    Spliethoff, Jarich W.; de Boer, Lisanne L.; Meier, Mark A. J.; Prevoo, Warner; de Jong, Jeroen; Kuhlmann, Koert; Bydlon, Torre M.; Sterenborg, Henricus J. C. M.; Hendriks, Benno H. W.; Ruers, Theo J. M.

    2016-09-01

    There is a strong need to develop clinical instruments that can perform rapid tissue assessment at the tip of smart clinical instruments for a variety of oncological applications. This study presents the first in vivo real-time tissue characterization during 24 liver biopsy procedures using diffuse reflectance (DR) spectroscopy at the tip of a core biopsy needle with integrated optical fibers. DR measurements were performed along each needle path, followed by biopsy of the target lesion using the same needle. Interventional imaging was coregistered with the DR spectra. Pathology results were compared with the DR spectroscopy data at the final measurement position. Bile was the primary discriminator between normal liver tissue and tumor tissue. Relative differences in bile content matched with the tissue diagnosis based on histopathological analysis in all 24 clinical cases. Continuous DR measurements during needle insertion in three patients showed that the method can also be applied for biopsy guidance or tumor recognition during surgery. This study provides an important validation step for DR spectroscopy-based tissue characterization in the liver. Given the feasibility of the outlined approach, it is also conceivable to make integrated fiber-optic tools for other clinical procedures that rely on accurate instrument positioning.

  5. Photoacoustic spectroscopy applied to the optical characterization of calcium phosphates for biomedical use

    Energy Technology Data Exchange (ETDEWEB)

    Mendez G, M. [ESFM-IPN, 07738 Mexico D.F. (Mexico); Cruz O, A. [CINVESTAV, Dept. of Physics, 07360 Mexico D.F. (Mexico)

    2007-07-01

    Full text: Photoacoustic Spectroscopy (PAS), based on the Rosencwaig and Gersho model, has been used for thermal and optical characterization of diverse materials. The use of PAS has become an important tool because is a nondestructive and no contact analytical technique. Furthermore its use to measure optical absorption spectra has advantages over the usual transmission measurements due to important features as the fact that scattered light does not disturb the measurements significantly and also the sample don't need to be prepared to have good quality surfaces. Then the optical properties of biological samples can be easily investigated with this technique. In the present study PAS is applied to obtain the optical absorption spectra of hydroxyapatite (HAp) [Ca{sub 10} (PO{sub 4} ){sub 6} (OH ){sub 2}] and bioactive calcium phosphates. The spectra of these samples ranged from 300 to 800 nm. All samples were prepared in a power form with particle size < 741m. Complementary studies X-ray diffraction and EDC were performed. (Author)

  6. Enzyme Characterization in Microreactors by UV-Vis Spectroscopy

    DEFF Research Database (Denmark)

    Ringborg, Rolf Hoffmeyer; Krühne, Ulrich; Woodley, John

    for selection can at this point be improved by characterization of the enzyme performance where also inhibition and toxicity effects are taken into account. Enzyme characterization is here defined as the effect on initial rate of reaction with respect to pH, enzyme, substrate, co-substrate, product and co......-product concentration [2]. From this investigation, it will be possible to determine whether the enzyme meets the criteria for process requirements or not. The development of the process will determine the requirements and this can also reach a state of maturity that resolves obstacles, lowers criteria and paves......, as the enzyme resource is scarce at this point of development. In the case where the reaction operates with UV active components, UV can be used to detect compounds with high sensitivity supplemented by multivariate data analysis. The spectra are here decorrelated and regressed to yield concentrations...

  7. Precision atomic beam density characterization by diode laser absorption spectroscopy

    International Nuclear Information System (INIS)

    Oxley, Paul; Wihbey, Joseph

    2016-01-01

    We provide experimental and theoretical details of a simple technique to determine absolute line-of-sight integrated atomic beam densities based on resonant laser absorption. In our experiments, a thermal lithium beam is chopped on and off while the frequency of a laser crossing the beam at right angles is scanned slowly across the resonance transition. A lock-in amplifier detects the laser absorption signal at the chop frequency from which the atomic density is determined. The accuracy of our experimental method is confirmed using the related technique of wavelength modulation spectroscopy. For beams which absorb of order 1% of the incident laser light, our measurements allow the beam density to be determined to an accuracy better than 5% and with a precision of 3% on a time scale of order 1 s. Fractional absorptions of order 10 −5 are detectable on a one-minute time scale when we employ a double laser beam technique which limits laser intensity noise. For a lithium beam with a thickness of 9 mm, we have measured atomic densities as low as 5 × 10 4 atoms cm −3 . The simplicity of our technique and the details we provide should allow our method to be easily implemented in most atomic or molecular beam apparatuses.

  8. Characterization of Canadian coals by nuclear magnetic resonance spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Furimsky, E.; Ripmeester, J.

    1983-06-01

    Apparent aromaticities of a series of Canadian coals of different rank were estimated by solid state nuclear magnetic resonance spectroscopy. The aromaticities varied from 0.57 for a lignite up to 0.86 for a semi-anthracite coal. The aromaticities correlated well with fixed carbon and oxygen content of the coals as well as with the mean reflectance of the coals. Correlations were also established between aromaticities and the H/C and H/SUB/a/SUB/r/SUB/u/C/SUB/a/SUB/r ratios of the coals. Uncertainties in calculation of the hypothetical H/SUB/a/SUB/r/SUB/u/C/SUB/a/SUB/r ratios, from experimental data were pointed out. Structural parameters of the chars derived from the coals by pyrolysis at 535 C were, also, estimated. The H/C and H/SUB/a/SUB/r/SUB/u/C/SUB/a/SUB/r ratios of the chars were markedly lower than those of coals. This was complemented by higher apparent aromaticities of the chars compared with the coals. (21 refs.)

  9. Precision atomic beam density characterization by diode laser absorption spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Oxley, Paul; Wihbey, Joseph [Physics Department, The College of the Holy Cross, Worcester, Massachusetts 01610 (United States)

    2016-09-15

    We provide experimental and theoretical details of a simple technique to determine absolute line-of-sight integrated atomic beam densities based on resonant laser absorption. In our experiments, a thermal lithium beam is chopped on and off while the frequency of a laser crossing the beam at right angles is scanned slowly across the resonance transition. A lock-in amplifier detects the laser absorption signal at the chop frequency from which the atomic density is determined. The accuracy of our experimental method is confirmed using the related technique of wavelength modulation spectroscopy. For beams which absorb of order 1% of the incident laser light, our measurements allow the beam density to be determined to an accuracy better than 5% and with a precision of 3% on a time scale of order 1 s. Fractional absorptions of order 10{sup −5} are detectable on a one-minute time scale when we employ a double laser beam technique which limits laser intensity noise. For a lithium beam with a thickness of 9 mm, we have measured atomic densities as low as 5 × 10{sup 4} atoms cm{sup −3}. The simplicity of our technique and the details we provide should allow our method to be easily implemented in most atomic or molecular beam apparatuses.

  10. Precision atomic beam density characterization by diode laser absorption spectroscopy.

    Science.gov (United States)

    Oxley, Paul; Wihbey, Joseph

    2016-09-01

    We provide experimental and theoretical details of a simple technique to determine absolute line-of-sight integrated atomic beam densities based on resonant laser absorption. In our experiments, a thermal lithium beam is chopped on and off while the frequency of a laser crossing the beam at right angles is scanned slowly across the resonance transition. A lock-in amplifier detects the laser absorption signal at the chop frequency from which the atomic density is determined. The accuracy of our experimental method is confirmed using the related technique of wavelength modulation spectroscopy. For beams which absorb of order 1% of the incident laser light, our measurements allow the beam density to be determined to an accuracy better than 5% and with a precision of 3% on a time scale of order 1 s. Fractional absorptions of order 10 -5 are detectable on a one-minute time scale when we employ a double laser beam technique which limits laser intensity noise. For a lithium beam with a thickness of 9 mm, we have measured atomic densities as low as 5 × 10 4 atoms cm -3 . The simplicity of our technique and the details we provide should allow our method to be easily implemented in most atomic or molecular beam apparatuses.

  11. Methodology for cork plank characterization (Quercus suber L.) by near-infrared spectroscopy and image analysis

    Science.gov (United States)

    Prades, Cristina; García-Olmo, Juan; Romero-Prieto, Tomás; García de Ceca, José L.; López-Luque, Rafael

    2010-06-01

    The procedures used today to characterize cork plank for the manufacture of cork bottle stoppers continue to be based on a traditional, manual method that is highly subjective. Furthermore, there is no specific legislation regarding cork classification. The objective of this viability study is to assess the potential of near-infrared spectroscopy (NIRS) technology for characterizing cork plank according to the following variables: aspect or visual quality, porosity, moisture and geographical origin. In order to calculate the porosity coefficient, an image analysis program was specifically developed in Visual Basic language for a desktop scanner. A set comprising 170 samples from two geographical areas of Andalusia (Spain) was classified into eight quality classes by visual inspection. Spectra were obtained in the transverse and tangential sections of the cork planks using an NIRSystems 6500 SY II reflectance spectrophotometer. The quantitative calibrations showed cross-validation coefficients of determination of 0.47 for visual quality, 0.69 for porosity and 0.66 for moisture. The results obtained using NIRS technology are promising considering the heterogeneity and variability of a natural product such as cork in spite of the fact that the standard error of cross validation (SECV) in the quantitative analysis is greater than the standard error of laboratory (SEL) for the three variables. The qualitative analysis regarding geographical origin achieved very satisfactory results. Applying these methods in industry will permit quality control procedures to be automated, as well as establishing correlations between the different classification systems currently used in the sector. These methods can be implemented in the cork chain of custody certification and will also provide a certainly more objective tool for assessing the economic value of the product.

  12. Methodology for cork plank characterization (Quercus suber L.) by near-infrared spectroscopy and image analysis

    International Nuclear Information System (INIS)

    Prades, Cristina; López-Luque, Rafael; García-Olmo, Juan; Romero-Prieto, Tomás; García de Ceca, José L

    2010-01-01

    The procedures used today to characterize cork plank for the manufacture of cork bottle stoppers continue to be based on a traditional, manual method that is highly subjective. Furthermore, there is no specific legislation regarding cork classification. The objective of this viability study is to assess the potential of near-infrared spectroscopy (NIRS) technology for characterizing cork plank according to the following variables: aspect or visual quality, porosity, moisture and geographical origin. In order to calculate the porosity coefficient, an image analysis program was specifically developed in Visual Basic language for a desktop scanner. A set comprising 170 samples from two geographical areas of Andalusia (Spain) was classified into eight quality classes by visual inspection. Spectra were obtained in the transverse and tangential sections of the cork planks using an NIRSystems 6500 SY II reflectance spectrophotometer. The quantitative calibrations showed cross-validation coefficients of determination of 0.47 for visual quality, 0.69 for porosity and 0.66 for moisture. The results obtained using NIRS technology are promising considering the heterogeneity and variability of a natural product such as cork in spite of the fact that the standard error of cross validation (SECV) in the quantitative analysis is greater than the standard error of laboratory (SEL) for the three variables. The qualitative analysis regarding geographical origin achieved very satisfactory results. Applying these methods in industry will permit quality control procedures to be automated, as well as establishing correlations between the different classification systems currently used in the sector. These methods can be implemented in the cork chain of custody certification and will also provide a certainly more objective tool for assessing the economic value of the product

  13. Single-Crystalline cooperite (PtS): Crystal-Chemical characterization, ESR spectroscopy, and {sup 195}Pt NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Rozhdestvina, V. I., E-mail: veronika@ascnet.ru; Ivanov, A. V.; Zaremba, M. A. [Far East Division, Russian Academy of Sciences, Institute of Geology and Nature Management (Russian Federation); Antsutkin, O. N.; Forsling, W. [Lulea University of Technology (Sweden)

    2008-05-15

    Single-crystalline cooperite (PtS) with a nearly stoichiometric composition was characterized in detail by X-ray diffraction, electron-probe X-ray microanalysis, and high-resolution scanning electron microscopy. For the first time it was demonstrated that {sup 195}Pt static and MAS NMR spectroscopy can be used for studying natural platinum minerals. The {sup 195}Pt chemical-shift tensor of cooperite was found to be consistent with the axial symmetry and is characterized by the following principal values: {delta}{sub xx} = -5920 ppm, {delta}{sub yy} = -3734 ppm, {delta}{sub zz} = +4023 ppm, and {delta}{sub iso} = -1850 ppm. According to the ESR data, the samples of cooperite contain copper(II), which is adsorbed on the surface during the layer-by-layer crystal growth and is not involved in the crystal lattice.

  14. Near-infrared spectroscopy (NIRS) as a new tool for neuroeconomic research

    Science.gov (United States)

    Kopton, Isabella M.; Kenning, Peter

    2014-01-01

    Over the last decade, the application of neuroscience to economic research has gained in importance and the number of neuroeconomic studies has grown extensively. The most common method for these investigations is fMRI. However, fMRI has limitations (particularly concerning situational factors) that should be countered with other methods. This review elaborates on the use of functional Near-Infrared Spectroscopy (fNIRS) as a new and promising tool for investigating economic decision making both in field experiments and outside the laboratory. We describe results of studies investigating the reliability of prototype NIRS studies, as well as detailing experiments using conventional and stationary fNIRS devices to analyze this potential. This review article shows that further research using mobile fNIRS for studies on economic decision making outside the laboratory could be a fruitful avenue helping to develop the potential of a new method for field experiments outside the laboratory. PMID:25147517

  15. Line and continuum spectroscopy as diagnostic tools for gamma ray bursts

    International Nuclear Information System (INIS)

    Liang, E.P.

    1990-12-01

    We review the theoretical framework of both line and continuum spectra formation in gamma ray bursts. These include the cyclotron features at 10's of keV, redshifted annihilation features at ∼400 keV, as well as other potentially detectable nuclear transition lines, atomic x-ray lines, proton cyclotron lines and plasma oscillation lines. By combining the parameters derived from line and continuum modeling we can try to reconstruct the location, geometry and physical conditions of the burst emission region, thereby constraining and discriminating the astrophysical models. Hence spectroscopy with current and future generations of detectors should provide powerful diagnostic tools for gamma ray bursters. 48 refs., 10 figs., 4 tabs

  16. Characterization of Microsolvated Crown Ethers from Broadband Rotational Spectroscopy

    Science.gov (United States)

    Perez, Cristobal; Schnell, Melanie; Blanco, Susana; Lopez, Juan Carlos

    2016-06-01

    Since they were first synthetized, crown ethers have been extensively used in organometallic chemistry due to their unparalleled binding selectivity with alkali metal cations. From a structural point of view, crown ethers are heterocycles containing oxygen and/or other heteroatoms, although the most common ones are formed from ethylene oxide unit. Crown ethers are conventionally seen as being hydrophilic inside and hydrophobic outside when the structures found for the metal cation complexes are considered. However, crown ethers are extremely flexible and in isolation may present a variety of stable conformations so that their structure may be easily adapted in presence of a strong ligand as an alkali metal cation minimize the energy of the resulting complex. Water can be considered a soft ligand which interacts with crown ethers through moderate hydrogen bonds. It is thus interesting to investigate which conformers are selected by water to form complexes, the preferred interaction sites and the possible conformational changes due to the presence of one or more water molecules. Previous studies identified microsolvated crown ethers but in all cases with a chromophore group attached to the structure. Here we present a broadband rotational spectroscopy study of microsolvated crown ethers produced in a pulsed molecular jet expansion. Several 1:1 and 1:2 crown ether:water aggregates are presented for 12-crown-4, 15-crown-5 and 18-crown-6. Unambiguous identification of the structures has been achieved using isotopic substitution within the water unit. The subtle changes induced in the structures of the crown ether monomer upon complexation and the hydrogen-bonding network that hold them together will be also discussed. F. Gámez, B. Martínez-Haya, S. Blanco,J. C. López and J. L. Alonso, Phys. Chem. Chem. Phys. 2014, 14 12912-12918 V. A. Shubert, C.W. Müller and T. Zwier, J. Phys. Chem. A 2009, 113 8067-8079

  17. [Near-infrared spectroscopy as an auxiliary tool in the study of child development].

    Science.gov (United States)

    Oliveira, Suelen Rosa de; Machado, Ana Carolina Cabral de Paula; Miranda, Débora Marques de; Campos, Flávio Dos Santos; Ribeiro, Cristina Oliveira; Magalhães, Lívia de Castro; Bouzada, Maria Cândida Ferrarez

    2015-01-01

    To investigate the applicability of Near-Infrared Spectroscopy (NIRS) for cortical hemodynamic assessment tool as an aid in the study of child development. Search was conducted in the PubMed and Lilacs databases using the following keywords: "psychomotor performance/child development/growth and development/neurodevelopment/spectroscopy/near-infrared" and their equivalents in Portuguese and Spanish. The review was performed according to criteria established by Cochrane and search was limited to 2003 to 2013. English, Portuguese and Spanish were included in the search. Of the 484 articles, 19 were selected: 17 cross-sectional and two longitudinal studies, published in non-Brazilian journals. The analyzed articles were grouped in functional and non-functional studies of child development. Functional studies addressed the object processing, social skills development, language and cognitive development. Non-functional studies discussed the relationship between cerebral oxygen saturation and neurological outcomes, and the comparison between the cortical hemodynamic response of preterm and term newborns. NIRS has become an increasingly feasible alternative and a potentially useful technique for studying functional activity of the infant brain. Copyright © 2015 Associação de Pediatria de São Paulo. Publicado por Elsevier Editora Ltda. All rights reserved.

  18. Intelligent sensing sensory quality of Chinese rice wine using near infrared spectroscopy and nonlinear tools

    Science.gov (United States)

    Ouyang, Qin; Chen, Quansheng; Zhao, Jiewen

    2016-02-01

    The approach presented herein reports the application of near infrared (NIR) spectroscopy, in contrast with human sensory panel, as a tool for estimating Chinese rice wine quality; concretely, to achieve the prediction of the overall sensory scores assigned by the trained sensory panel. Back propagation artificial neural network (BPANN) combined with adaptive boosting (AdaBoost) algorithm, namely BP-AdaBoost, as a novel nonlinear algorithm, was proposed in modeling. First, the optimal spectra intervals were selected by synergy interval partial least square (Si-PLS). Then, BP-AdaBoost model based on the optimal spectra intervals was established, called Si-BP-AdaBoost model. These models were optimized by cross validation, and the performance of each final model was evaluated according to correlation coefficient (Rp) and root mean square error of prediction (RMSEP) in prediction set. Si-BP-AdaBoost showed excellent performance in comparison with other models. The best Si-BP-AdaBoost model was achieved with Rp = 0.9180 and RMSEP = 2.23 in the prediction set. It was concluded that NIR spectroscopy combined with Si-BP-AdaBoost was an appropriate method for the prediction of the sensory quality in Chinese rice wine.

  19. Electrochemical boriding and characterization of AISI D2 tool steel

    International Nuclear Information System (INIS)

    Sista, V.; Kahvecioglu, O.; Eryilmaz, O.L.; Erdemir, A.; Timur, S.

    2011-01-01

    D2 is an air-hardening tool steel and due to its high chromium content provides very good protection against wear and oxidation, especially at elevated temperatures. Boriding of D2 steel can further enhance its surface mechanical and tribological properties. Unfortunately, it has been very difficult to achieve a very dense and uniformly thick boride layers on D2 steel using traditional boriding processes. In an attempt to overcome such a deficiency, we explored the suitability and potential usefulness of electrochemical boriding for achieving thick and hard boride layers on this tool steel in a molten borax electrolyte at 850, 900, 950 and 1000 °C for durations ranging from 15 min to 1 h. The microstructural characterization and phase analysis of the resultant boride layers were performed using optical, scanning electron microscopy and X-ray diffraction methods. Our studies have confirmed that a single phase Fe 2 B layer or a composite layer consisting of FeB + Fe 2 B is feasible on the surface of D2 steel depending on the length of boriding time. The boride layers formed after shorter durations (i.e., 15 min) mainly consisted of Fe 2 B phase and was about 30 μm thick. The thickness of the layer formed in 60 min was about 60 μm and composed mainly of FeB and Fe 2 B. The cross sectional micro-hardness values of the boride layers varied between 14 and 22 GPa, depending on the phase composition.

  20. Characterizing Rosetta Stone Exoplanets with JWST Transit Spectroscopy

    Science.gov (United States)

    Lewis, Nikole K.; Clampin, Mark; Seager, Sara; Valenti, Jeff A.; Mountain, Matt; JWST Telescope Scientist GTO Team

    2017-06-01

    JWST will for the first time provide for spectroscopic (R > 100) observation of systems hosting transiting exoplanets over the critical wavelength range from 0.6 to 28.5 microns. Our team will take advantage of JWST's spectral coverage and resolution to characterize a small number of exoplanets in exquisite detail. We plan to focus our efforts on single representative members of the hot-Jupiter, warm-Neptune, and temperate-Earth populations in both transmission and emission over the full wavelength range of JWST. Our JWST observations will hopefully become 'Rosetta Stones' that will serve as benchmarks for further observations of planets within each representative population and a lasting legacy of the JWST mission. Here we will describe our observational plan and how we turned our science goals into an implemented Cycle 1 JWST program.

  1. Spectroscopy

    DEFF Research Database (Denmark)

    Berg, Rolf W.

    This introductory booklet covers the basics of molecular spectroscopy, infrared and Raman methods, instrumental considerations, symmetry analysis of molecules, group theory and selection rules, as well as assignments of fundamental vibrational modes in molecules.......This introductory booklet covers the basics of molecular spectroscopy, infrared and Raman methods, instrumental considerations, symmetry analysis of molecules, group theory and selection rules, as well as assignments of fundamental vibrational modes in molecules....

  2. Neutron resonance spectroscopy for the characterization of materials and objects

    International Nuclear Information System (INIS)

    Schillebeeckx, P; Borella, A; Emiliani, F; Kopecky, S; Lampoudis, C; Gorini, G; Cippo, E Perelli; Kockelmann, W; Rhodes, N J; Schooneveld, E M; Moxon, M; Postma, H; Van Beveren, C

    2012-01-01

    The resonance structure in neutron induced reaction cross sections can be used to determine the elemental compositions of materials or objects. The occurrence of resonances is the basis of neutron resonance capture analysis (NRCA) and neutron resonance transmission analysis (NRTA). NRCA and NRTA are fully non-destructive methods to determine the bulk elemental composition without the need of any sample preparation and resulting in a negligible residual activity. They have been applied to determine the elemental composition of archaeological objects and to characterize reference materials used for cross section measurements. For imaging applications a position sensitive neutron detector has been developed within the ANCIENT CHARM project. The detector is based on a 10 × 10 array of 6 Li-glass scintillators mounted on a pitch of 2.5 mm, resulting in a 25 × 25 mm 2 active area. The detector has been tested at the time-of-flight facility GELINA and used at the ISIS spallation source to study cultural heritage objects.

  3. Neutron resonance spectroscopy for the characterization of materials and objects

    Science.gov (United States)

    Schillebeeckx, P.; Borella, A.; Emiliani, F.; Gorini, G.; Kockelmann, W.; Kopecky, S.; Lampoudis, C.; Moxon, M.; Perelli Cippo, E.; Postma, H.; Rhodes, N. J.; Schooneveld, E. M.; Van Beveren, C.

    2012-03-01

    The resonance structure in neutron induced reaction cross sections can be used to determine the elemental compositions of materials or objects. The occurrence of resonances is the basis of neutron resonance capture analysis (NRCA) and neutron resonance transmission analysis (NRTA). NRCA and NRTA are fully non-destructive methods to determine the bulk elemental composition without the need of any sample preparation and resulting in a negligible residual activity. They have been applied to determine the elemental composition of archaeological objects and to characterize reference materials used for cross section measurements. For imaging applications a position sensitive neutron detector has been developed within the ANCIENT CHARM project. The detector is based on a 10 × 10 array of 6Li-glass scintillators mounted on a pitch of 2.5 mm, resulting in a 25 × 25 mm2 active area. The detector has been tested at the time-of-flight facility GELINA and used at the ISIS spallation source to study cultural heritage objects.

  4. Lifetime spectroscopy a method of defect characterization in silicon for photovoltaic applications

    CERN Document Server

    Rein, Stefan

    2005-01-01

    Lifetime spectroscopy is one of the most sensitive diagnostic tools for the identification and analysis of impurities in semiconductors. Since it is based on the recombination process, it provides insight into precisely those defects that are relevant to semiconductor devices such as solar cells. This book introduces a transparent modeling procedure that allows a detailed theoretical evaluation of the spectroscopic potential of the different lifetime spectroscopic techniques. The various theoretical predictions are verified experimentally with the context of a comprehensive study on different metal impurities. The quality and consistency of the spectroscopic results, as explained here, confirms the excellent performance of lifetime spectroscopy.

  5. Optical extinction spectroscopy used to characterize metallic nanowires

    International Nuclear Information System (INIS)

    Scaffardi, L B; Lester, M; Skigin, D; Tocho, J O

    2007-01-01

    We present a method for sizing metallic nanowires through the analysis of the extinction spectra of the scattered light when the wires are illuminated alternatively with p- and s-polarization waves. The method is applied to isolated silver nanowires in air or immersed in index matching oil. The dielectric function of silver is affected by the size of the cylinders, and its influence on the extinction spectra near the plasmon resonance or near the dip position is considered. Due to the size of the nanocylinders, it is necessary to include two different permittivities in the electromagnetic model to analyse the behaviour of the material under different polarization incidences. This introduces anisotropy in the system, which comprises isotropic cylinders. The behaviour of the extinction spectra for p-waves allows us to determine the wire radii, taking into account the plasmon peak position for radii larger than 7 nm, or alternatively, by using the contrast between maximum and minimum intensity near the plasmon frequency, for radii lower than 5 nm. For s-waves, although no plasmon peak appears, we can determine the radii by analysing the contrast between the ridge of the spectra near 260-275 nm and the minimum near 320-330 nm for radii larger than 10 nm, or analysing the slope in the spectra over 350 nm, for radii below 10 nm. The present study shows that spectral extinction is a very simple and inexpensive technique that can be useful for characterizing the radius of nanocylinders when electron microscopy (TEM or SEM) is not available

  6. ASPECT (Automated System-level Performance Evaluation and Characterization Tool), Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — SSCI has developed a suite of SAA tools and an analysis capability referred to as ASPECT (Automated System-level Performance Evaluation and Characterization Tool)....

  7. Development of a surrogate model for elemental analysis using a natural gamma ray spectroscopy tool

    International Nuclear Information System (INIS)

    Zhang, Qiong

    2015-01-01

    A systematic computational method for obtaining accurate elemental standards efficiently for varying borehole conditions was developed based on Monte Carlo simulations, surrogate modeling, and data assimilation. Elemental standards are essential for spectral unfolding in formation evaluation applications commonly used for nuclear well logging tools. Typically, elemental standards are obtained by standardized measurements, but these experiments are expensive and lack the flexibility to address different logging conditions. In contrast, computer-based Monte Carlo simulations provide an accurate and more flexible approach to obtaining elemental standards for formation evaluation. The presented computational method recognizes that in contrast to typical neutron–photon simulations, where the source is typically artificial and well characterized (Galford, 2009), an accurate knowledge of the source is essential for matching the obtained Monte Carlo elemental standards with their experimental counterparts. Therefore, source distributions are adjusted to minimize the L2 difference of the Monte Carlo computed and experimental standards. Subsequently, an accurate surrogate model is developed accounting for different casing and cement thicknesses, and tool positions within the borehole. The adjusted source distributions are then utilized to generate and validate spectra for varying borehole conditions: tool position, casing and cement thickness. The effect of these conditions on the spectra are investigated and discussed in this work. Given that Monte Carlo modeling provides much lower cost and more flexibility, employing Monte Carlo could enhance the processing of nuclear tool logging data computed standards. - Highlights: • A novel computational model for efficiently computing elemental standards for varying borehole conditions has been developed. • A model of an experimental test pit was implemented in the Monte Carlo code GEANT4 for computing elemental standards.

  8. Raman spectroscopy provides a powerful diagnostic tool for accurate determination of albumin glycation.

    Science.gov (United States)

    Dingari, Narahara Chari; Horowitz, Gary L; Kang, Jeon Woong; Dasari, Ramachandra R; Barman, Ishan

    2012-01-01

    We present the first demonstration of glycated albumin detection and quantification using Raman spectroscopy without the addition of reagents. Glycated albumin is an important marker for monitoring the long-term glycemic history of diabetics, especially as its concentrations, in contrast to glycated hemoglobin levels, are unaffected by changes in erythrocyte life times. Clinically, glycated albumin concentrations show a strong correlation with the development of serious diabetes complications including nephropathy and retinopathy. In this article, we propose and evaluate the efficacy of Raman spectroscopy for determination of this important analyte. By utilizing the pre-concentration obtained through drop-coating deposition, we show that glycation of albumin leads to subtle, but consistent, changes in vibrational features, which with the help of multivariate classification techniques can be used to discriminate glycated albumin from the unglycated variant with 100% accuracy. Moreover, we demonstrate that the calibration model developed on the glycated albumin spectral dataset shows high predictive power, even at substantially lower concentrations than those typically encountered in clinical practice. In fact, the limit of detection for glycated albumin measurements is calculated to be approximately four times lower than its minimum physiological concentration. Importantly, in relation to the existing detection methods for glycated albumin, the proposed method is also completely reagent-free, requires barely any sample preparation and has the potential for simultaneous determination of glycated hemoglobin levels as well. Given these key advantages, we believe that the proposed approach can provide a uniquely powerful tool for quantification of glycation status of proteins in biopharmaceutical development as well as for glycemic marker determination in routine clinical diagnostics in the future.

  9. Raman Spectroscopy Provides a Powerful Diagnostic Tool for Accurate Determination of Albumin Glycation

    Science.gov (United States)

    Dingari, Narahara Chari; Horowitz, Gary L.; Kang, Jeon Woong; Dasari, Ramachandra R.; Barman, Ishan

    2012-01-01

    We present the first demonstration of glycated albumin detection and quantification using Raman spectroscopy without the addition of reagents. Glycated albumin is an important marker for monitoring the long-term glycemic history of diabetics, especially as its concentrations, in contrast to glycated hemoglobin levels, are unaffected by changes in erythrocyte life times. Clinically, glycated albumin concentrations show a strong correlation with the development of serious diabetes complications including nephropathy and retinopathy. In this article, we propose and evaluate the efficacy of Raman spectroscopy for determination of this important analyte. By utilizing the pre-concentration obtained through drop-coating deposition, we show that glycation of albumin leads to subtle, but consistent, changes in vibrational features, which with the help of multivariate classification techniques can be used to discriminate glycated albumin from the unglycated variant with 100% accuracy. Moreover, we demonstrate that the calibration model developed on the glycated albumin spectral dataset shows high predictive power, even at substantially lower concentrations than those typically encountered in clinical practice. In fact, the limit of detection for glycated albumin measurements is calculated to be approximately four times lower than its minimum physiological concentration. Importantly, in relation to the existing detection methods for glycated albumin, the proposed method is also completely reagent-free, requires barely any sample preparation and has the potential for simultaneous determination of glycated hemoglobin levels as well. Given these key advantages, we believe that the proposed approach can provide a uniquely powerful tool for quantification of glycation status of proteins in biopharmaceutical development as well as for glycemic marker determination in routine clinical diagnostics in the future. PMID:22393405

  10. Experimental and Numerical Characterization of a Pulsed Supersonic Uniform Flow for Kinetics and Spectroscopy

    Science.gov (United States)

    Suas-David, Nicolas; Thawoos, Shameemah; Broderick, Bernadette M.; Suits, Arthur

    2017-06-01

    The current CPUF (Chirped Pulse Uniform Flow) and the new UF-CRDS (Uniform Flow Cavity Ring-Down Spectroscopy) setups relie mostly on the production of a good quality supersonic uniform flow. A supersonic uniform flow is produced by expanding a gas through a Laval nozzle - similar to the nozzles used in aeronautics - linked to a vacuum chamber. The expansion is characterized by an isentropic core where constant very low kinetic temperature (down to 20K) and constant density are observed. The relatively large diameter of the isentropic core associated with homogeneous thermodynamic conditions makes it a relevant tool for low temperature spectroscopy. On the other hand, the length along the axis of the flow of this core (could be longer than 50cm) allows kinetic studies which is one of the main interest of this setup (CRESU technique. The formation of a uniform flow requires an extreme accuracy in the design of the shape of the nozzle for a set of defined temperature/density. The design is based on a Matlab program which retrieves the shape of the isentropic core according to the method of characteristics prior to calculate the thickness of the boundary layer. Two different approaches are used to test the viability of a new nozzle derived from the program. First, a computational fluid dynamic software (OpenFOAM) models the distribution of the thermodynamic properties of the expansion. Then, fabricated nozzles using 3-D printing are tested based on Pitot measurements and spectroscopic analyses. I will present comparisons of simulation and measured performance for a range of nozzles. We will see how the high level of accuracy of numerical simulations provides a deeper knowledge of the experimental conditions. J. M. Oldham, C. Abeysekera, J. Joalland, L. N. Zack, K. Prozument, I. R. Sims, G. Barrat Park, R. W. Filed and A. G. Suits, J. Chem. Phys. 141, 154202, (2014). I. Sims, J. L. Queffelec, A. Defrance, C. Rebrion-Rowe, D. Travers, P. Bocherel, B. Rowe, I. W. Smith

  11. Characterization of Modified and Polymer Coated Alumina Surfaces by Infrared Spectroscopy

    Directory of Open Access Journals (Sweden)

    Ashraf Yehia El-Naggar

    2013-01-01

    Full Text Available The prepared, modified, and coated alumina surfaces were characterized by infrared spectroscopy (FTIR to investigate the surface properties of the individual and double modified samples. FTIR helps in reporting the changes occurred in hydroxyl groups as well as the structure changes as a result of thermal treating, hydrothermal treating, silylation treating, alkali metal treating, coating, and bonding with polymer. FTIR spectroscopy represents the strength and abundance of surface acidic OH which determine the adsorption properties of polar and nonpolar sorbents. Generally, all treated samples exhibit decrease of OH groups compared with those of parent ones producing alumina surfaces of different adsorptive powers.

  12. Characterization of photo-induced valence tautomerism in a cobalt-dioxolene complex by ultrafast spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Beni, A [Dipartimento di Chimica, Universita di Firenze, via della Lastruccia 3, 50019 Sesto Fiorentino, Florence (Italy); Bogani, L [Dipartimento di Chimica, Universita di Firenze, via della Lastruccia 3, 50019 Sesto Fiorentino, Florence (Italy); Bussotti, L [LENS, Universita di Firenze, Via Nello Carrara 1, 50019 Sesto Fiorentino, Florence (Italy); Dei, A [Dipartimento di Chimica, Universita di Firenze, via della Lastruccia 3, 50019 Sesto Fiorentino, Florence (Italy); Gentili, P L [LENS, Universita di Firenze, Via Nello Carrara 1, 50019 Sesto Fiorentino, Florence (Italy); Righini, R [Dipartimento di Chimica, Universita di Firenze, via della Lastruccia 3, 50019 Sesto Fiorentino, Florence (Italy)

    2005-01-01

    The valence tautomerism of low-spin Co{sup III}(Cat-N-BQ)(Cat-N-SQ) was investigated by means of UV-vis pump-probe transient absorption spectroscopy in chloroform. By exciting the CT transition of the complex at 480 nm, an intramolecular electron transfer process is selectively triggered. The photo-induced charge transfer is pursued by a cascade of two main molecular events characterized by the ultrafast transient absorption spectroscopy: the first gives rise to the metastable high-spin Co{sup II}(Cat-N-BQ){sub 2} that, secondly, reaches the chemical equilibrium with the reactant species.

  13. Characterization of photo-induced valence tautomerism in a cobalt-dioxolene complex by ultrafast spectroscopy

    International Nuclear Information System (INIS)

    Beni, A; Bogani, L; Bussotti, L; Dei, A; Gentili, P L; Righini, R

    2005-01-01

    The valence tautomerism of low-spin Co III (Cat-N-BQ)(Cat-N-SQ) was investigated by means of UV-vis pump-probe transient absorption spectroscopy in chloroform. By exciting the CT transition of the complex at 480 nm, an intramolecular electron transfer process is selectively triggered. The photo-induced charge transfer is pursued by a cascade of two main molecular events characterized by the ultrafast transient absorption spectroscopy: the first gives rise to the metastable high-spin Co II (Cat-N-BQ) 2 that, secondly, reaches the chemical equilibrium with the reactant species

  14. Characterization of photo-induced valence tautomerism in a cobalt-dioxolene complex by ultrafast spectroscopy

    Science.gov (United States)

    Beni, A.; Bogani, L.; Bussotti, L.; Dei, A.; Gentili, P. L.; Righini, R.

    2005-01-01

    The valence tautomerism of low-spin CoIII(Cat-N-BQ)(Cat-N-SQ) was investigated by means of UV-vis pump-probe transient absorption spectroscopy in chloroform. By exciting the CT transition of the complex at 480 nm, an intramolecular electron transfer process is selectively triggered. The photo-induced charge transfer is pursued by a cascade of two main molecular events characterized by the ultrafast transient absorption spectroscopy: the first gives rise to the metastable high-spin CoII(Cat-N-BQ)2 that, secondly, reaches the chemical equilibrium with the reactant species.

  15. Raman spectroscopy for characterizing and determining the pozzolanic reactivity of fly ashes

    Science.gov (United States)

    Garg, Nishant

    The efficacy and potential of Raman spectroscopy in characterization of a commercial Ordinary Portland Cement (OPC) and three fly ashes (FA's), and their evolving hydration products were studied in this Master's thesis work. While there have been several studies focusing on the application of Raman spectroscopy to synthetic, pure samples, work on commercial cementitious systems is scarce. This work covers this gap by evaluating mixtures containing cements and fly ashes. The study first involved determination followed by establishment of instrumental configuration and testing parameters optimum for studying cementitious materials both in the dry and wet form. It was found that by tweaking several parameters, collection methodologies and analysis techniques, improved, representative and reproducible data could be obtained. Mapping a representative area to determine the spatial distribution and concentration of sulfates and hydroxides on sample surfaces was found to be the most effective way to study these complex and heterogeneous systems. The Raman dry analysis of OPC and three different FA's of varying calcium contents and reactivity was able to identify the major mineralogical phases in these binders and the results were in correlation with the X-ray diffraction data. The observed calcium and sulfate phases and their relative concentration also agreed well with the supplementary compositional data obtained from X-ray fluorescence and Atomic absorption spectrometry. The wet analysis of pastes prepared with 100% OPC and 50%OPC+50%FA(1,2,3) followed the hydration process of the systems for 56 days (0, 0.2, 2, 4, 8, 12, 16, 20, 24, 48, 72 hours, 7, 14, 21, 28, and 56 days). Consistency of trends in the hydration mechanism of such pastes was only obtained when studies were focused on narrow wavenumber ranges: 950--1050 cm-1 for evolution of sulfates and 3600--3700cm-1 for evolution of hydroxides. Gradual disappearance of Gypsum with a parallel formation of Ettringite

  16. Characterization of Paracoccidioides brasiliensis by FT-IR spectroscopy and nanotechnology

    Science.gov (United States)

    Ferreira, Isabelle; Ferreira-Strixino, Juliana; Castilho, Maiara L.; Campos, Claudia B. L.; Tellez, Claudio; Raniero, Leandro

    2016-01-01

    Paracoccidioides brasiliensis, the etiological agent of paracoccidioidomycosis, is a dimorphic fungus existing as mycelia in the environment (or at 25 °C in vitro) and as yeast cells in the human host (or at 37 °C in vitro). Because mycological examination of lesions in patients frequently is unable to show the presence of the fungus and serological tests can misdiagnose the disease with other mycosis, the development of new approach's for molecular identification of P. brasiliensis spurges is needed. This study describes the use of a gold nanoprobe of a known gene sequence of P. brasiliensis as a molecular tool to identify P. brasiliensis by regular polymerase chain reaction (PCR) associated with a colorimetric methods. This approach is suitable for testing in remote areas because it does not require any further step than gene amplification, being safer and cheaper than electrophoresis methods. The proposed test showed a color change of the PCR reaction mixture from red to blue in negative samples, whereas the solution remains red in positive samples. We also performed a Fourier Transform Infrared (FT-IR) Spectroscopy analysis to characterize and compare the chemical composition between yeast and mycelia forms, which revealed biochemical differences between these two forms. The analysis of the spectra showed that differences were distributed in chemical bonds of proteins, lipids and carbohydrates. The most prominent difference between both forms was vibration modes related to 1,3-β-glucan usually found in mycelia and 1,3-α-glucan found in yeasts and also chitin forms. In this work, we introduce FT-IR as a new method suitable to reveal overall differences that biochemically distinguish each form of P. brasiliensis that could be additionally used to discriminate biochemical differences among a single form under distinct environmental conditions.

  17. Characterizing the hydration state of L-threonine in solution using terahertz time-domain attenuated total reflection spectroscopy

    Science.gov (United States)

    Huang, Huachuan; Liu, Qiao; Zhu, Liguo; Li, Zeren

    2018-01-01

    The hydration of biomolecules is closely related to the dynamic process of their functional expression, therefore, characterizing hydration phenomena is a subject of keen interest. However, direct measurements on the global hydration state of biomolecules couldn't have been acquired using traditional techniques such as thermodynamics, ultrasound, microwave spectroscopy or viscosity, etc. In order to realize global hydration characterization of amino acid such as L-threonine, terahertz time-domain attenuated total reflectance spectroscopy (THz-TDS-ATR) was adopted in this paper. By measuring the complex permittivity of L-threonine solutions with various concentrations in the THz region, the hydration state and its concentration dependence were obtained, indicating that the number of hydrous water decreased with the increase of concentration. The hydration number was evaluated to be 17.8 when the molar concentration of L-threonine was 0.34 mol/L, and dropped to 13.2 when the molar concentration increased to 0.84 mol/L, when global hydration was taken into account. According to the proposed direct measurements, it is believed that the THz-TDS-ATR technique is a powerful tool for studying the picosecond molecular dynamics of amino acid solutions.

  18. Characterization of Coastal Hydraulics: Simple Tools and Sweat Equity

    Science.gov (United States)

    McInnis, D.; Fertenbaugh, C.; Orou-Pete, S.; Mullen, A.; Smith, C.; Silliman, S. E.; Yalo, N.; Boukari, M.

    2009-12-01

    . Further, continuing measurements using the “home-made” piezometers and permeameter are providing opportunities for temporal data sets that would not otherwise be possible within the project budget, including access (via boats) to data in regions that are flooded during select times of the year. Finally, initial analysis of the data collected to date show interesting relationships among the various parameters measured, with significant potential in these relationships to both guide the calibration of the numerical model and provide valuable insight into the temporal variability of this coastal system. Implications from this work are that relatively simple tools (developed using classic hydrologic techniques combined with innovative use of local supplies) and sweat equity can provide valuable, if not entirely perfect, field methods for characterization of complex hydrologic systems in the absence of high-budget research programs.

  19. Two-dimensional NMR spectroscopy as a tool to link soil organic matter composition to ecosystem processes

    Science.gov (United States)

    Soucemarianadin, Laure; Erhagen, Björn; Öquist, Mats; Nilsson, Mats; Schleucher, Jürgen

    2014-05-01

    Environmental factors (e.g. temperature and moisture) and the size and composition of soil microbial populations are often considered the main drivers of soil organic matter (SOM) mineralization. Less consideration is given to the role of SOM as a substrate for microbial metabolism and the importance of the organo-chemical composition of SOM on decomposition. In addition, a fraction of the SOM is often considered as recalcitrant to mineralization leading to accumulation of SOM. However, recently the concept of intrinsic recalcitrance of SOM to mineralization has been questioned. The challenge in investigating the role of SOM composition on its mineralization to a large extent stems from the difficulties in obtaining high resolution characterization of a very complex matrix. 13C nuclear magnetic resonance (NMR) spectroscopy is a widely used tool to characterize SOM. However, SOM is a very complex mixture and in the resulting 13C NMR spectra, the identified functional groups may represent different molecular fragments that appear in the same spectral region leading to broad peaks. These overlaps defy attempts to identify molecular moieties, and this makes it impossible to derive information at a resolution needed for evaluating e.g. recalcitrance of SOM. Here we applied a method, developed in wood science for the pulp paper industry, to achieve a better characterization of SOM. We directly dissolved finely ground organic layers of boreal forest floors-litters, fibric and humic horizons of both coniferous and broadleaved stands-in dimethyl sulfoxide and analyzed the resulting solution with a two-dimensional (2D) 1H-13C NMR experiment. We will discuss methodological aspects related to the ability to identify and quantify individual molecular moieties in SOM. We will demonstrate how the spectra resolve signals of CH groups in a 2D plane determined by the 13C and 1H chemical shifts, thereby vastly increasing the resolving power and information content of NMR spectra. The

  20. Raman spectroscopy for characterization of annealing of ion-implanted InP

    International Nuclear Information System (INIS)

    Myers, D.R.; Gourley, P.L.; Vaidyanathan, K.V.; Dunlap, H.L.

    1983-01-01

    Raman spectroscopy has been used as a noncontacting, nondestructive tool to evaluate the properties of Si + - and Be + implanted InP samples annealed at temperatures ranging from 600 to 750C using phospho-silicate glass (PSG) as the encapsulant. Carrier activation, carrier mobility and recovery of damage as a function of anneal temperature obtained from analysis of Raman data agree very well with independent electrical measurements. (author)

  1. Site-Specific Characterization of Cytochrome P450cam Conformations by Infrared Spectroscopy.

    Science.gov (United States)

    Basom, Edward J; Maj, Michał; Cho, Minhaeng; Thielges, Megan C

    2016-06-21

    Conformational changes are central to protein function but challenging to characterize with both high spatial and temporal precision. The inherently fast time scale and small chromophores of infrared (IR) spectroscopy are well-suited for characterization of potentially rapidly fluctuating environments, and when frequency-resolved probes are incorporated to overcome spectral congestion, enable characterization of specific sites in proteins. We selectively incorporated p-cyanophenylalanine (CNF) as a vibrational probe at five distinct locations in the enzyme cytochrome P450cam and used IR spectroscopy to characterize the environments in substrate and/or ligand complexes reflecting those in the catalytic cycle. Molecular dynamics (MD) simulations were performed to provide a structural basis for spectral interpretation. Together the experimental and simulation data suggest that the CN frequencies are sensitive to both long-range influences, resulting from the particular location of a residue within the enzyme, as well as short-range influences from hydrogen bonding and packing interactions. The IR spectra demonstrate that the environments and effects of substrate and/or ligand binding are different at each position probed and also provide evidence that a single site can experience multiple environments. This study illustrates how IR spectroscopy, when combined with the spectral decongestion and spatial selectivity afforded by CNF incorporation, provides detailed information about protein structural changes that underlie function.

  2. Characterization of ZnO nanostructures: A challenge to positron annihilation spectroscopy and other methods

    Energy Technology Data Exchange (ETDEWEB)

    Brauer, Gerhard; Anwand, Wolfgang; Grambole, Dieter; Skorupa, Wolfgang [Institut fuer Ionenstrahlphysik und Materialforschung, Forschungszentrum Dresden-Rossendorf, Dresden (Germany); Egger, Werner; Sperr, Peter [Institut fuer Angewandte Physik und Messtechnik LRT2, Fakultaet fuer Luft- und Raumfahrttechnik, Werner-Heisenberg-Weg 39, Universitaet der Bundeswehr, Neubiberg (Germany); Beinik, Igor; Wang, Lin; Teichert, Christian [Institut fuer Physik, Montanuniversitaet Leoben (Austria); Kuriplach, Jan; Lang, Jan [Department of Low Temperature Physics, Charles University, Prague (Czech Republic); Zviagin, Sergei; Cizmar, Erik [Institut Hochfeld-Magnetlabor, Forschungszentrum Dresden-Rossendorf, Dresden (Germany); Ling, Chi Chung; Hsu, Yuk Fan; Xi, Yan Yan; Chen, Xinyi; Djurisic, Aleksandra B. [Department of Physics, University of Hong Kong, Hong Kong (China)

    2009-11-15

    ZnO nanostructures are of special interest for device applications. However, their structural characterization remains an ongoing challenge. This paper reviews recent efforts and latest achievements in this direction. Results comprise PAS in the form of Slow Positron Implantation Spectroscopy (SPIS) and Pulsed Low Energy Positron Lifetime Spectroscopy (PLEPS), Nuclear Reaction Analysis (NRA), Atomic Force Microscopy (AFM), conductive AFM (C-AFM), Nuclear Magnetic Resonance (NMR), Electron Spin Resonance (ESR), Photoluminescence (PL) spectroscopy, and latest theoretical investigations of structure-related and positron properties of selected defects. The fundamental importance of a relationship between fabrication conditions, native defect formation, and resulting optical and electronic properties is demonstrated by getting either inferior (nanorods) or significantly improved (tetrapods) optical properties compared to single crystal samples, depending on the nanostructure fabrication method. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  3. Diffuse reflectance spectroscopy as a tool for real-time tissue assessment during colorectal cancer surgery

    Science.gov (United States)

    Baltussen, Elisabeth J. M.; Snaebjornsson, Petur; de Koning, Susan G. Brouwer; Sterenborg, Henricus J. C. M.; Aalbers, Arend G. J.; Kok, Niels; Beets, Geerard L.; Hendriks, Benno H. W.; Kuhlmann, Koert F. D.; Ruers, Theo J. M.

    2017-10-01

    Colorectal surgery is the standard treatment for patients with colorectal cancer. To overcome two of the main challenges, the circumferential resection margin and postoperative complications, real-time tissue assessment could be of great benefit during surgery. In this ex vivo study, diffuse reflectance spectroscopy (DRS) was used to differentiate tumor tissue from healthy surrounding tissues in patients with colorectal neoplasia. DRS spectra were obtained from tumor tissue, healthy colon, or rectal wall and fat tissue, for every patient. Data were randomly divided into training (80%) and test (20%) sets. After spectral band selection, the spectra were classified using a quadratic classifier and a linear support vector machine. Of the 38 included patients, 36 had colorectal cancer and 2 had an adenoma. When the classifiers were applied to the test set, colorectal cancer could be discriminated from healthy tissue with an overall accuracy of 0.95 (±0.03). This study demonstrates the possibility to separate colorectal cancer from healthy surrounding tissue by applying DRS. High classification accuracies were obtained both in homogeneous and inhomogeneous tissues. This is a fundamental step toward the development of a tool for real-time in vivo tissue assessment during colorectal surgery.

  4. Infrared spectroscopy: a potential tool in huanglongbing and citrus variegated chlorosis diagnosis.

    Science.gov (United States)

    Cardinali, Marcelo Camponez do Brasil; Villas Boas, Paulino Ribeiro; Milori, Débora Marcondes Bastos Pereira; Ferreira, Ednaldo José; França e Silva, Marina; Machado, Marcos Antonio; Bellete, Barbara Sayuri; da Silva, Maria Fatima das Graças Fernandes

    2012-03-15

    Huanglongbing (HLB) and citrus variegated chlorosis (CVC) are serious threats to citrus production and have caused considerable economic losses worldwide, especially in Brazil, which is one of the biggest citrus producers in the world. Neither disease has a cure nor an efficient means of control. They are also generally confused with each other in the field since they share similar initial symptoms, e.g., yellowing blotchy leaves. The most efficient tool for detecting these diseases is by polymerase chain reaction (PCR). However, PCR is expensive, is not high throughput, and is subject to cross reaction and contamination. In this report, a diagnostic method is proposed for detecting HLB and CVC diseases in leaves of sweet orange trees using attenuated total reflectance Fourier transform infrared spectroscopy and the induced classifier via partial least-squares regression. Four different leaf types were considered: healthy, CVC-symptomatic, HLB-symptomatic, and HLB-asymptomatic. The results show a success rate of 93.8% in correctly identifying these different leaf types. In order to understand which compounds are responsible for the spectral differences between the leaf types, samples of carbohydrates starch, sucrose, and glucose, flavonoids hesperidin and naringin, and coumarin umbelliferone were also analyzed. The concentration of these compounds in leaves may vary due to biotic stresses. Copyright © 2012 Elsevier B.V. All rights reserved.

  5. Redox Chemisty of Tantalum Clusters on Silica Characterized by X-ray Absorption Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Nemana,S.; Gates, B.

    2006-01-01

    SiO{sub 2}-supported clusters of tantalum were synthesized from adsorbed Ta(CH{sub 2}Ph){sub 5} by treatment in H{sub 2} at 523 K. The surface species were characterized by X-ray absorption spectroscopy (extended X-ray absorption fine structure (EXAFS) spectroscopy and X-ray absorption near edge spectroscopy (XANES)) and ultraviolet-visible spectroscopy. The EXAFS data show that SiOO{sub 2}-supported tantalum clusters were characterized by a Ta-Ta coordination number of approximately 2, consistent with the presence of tritantalum clusters, on average. When these were reduced in H{sub 2} and reoxidized in O{sub 2}, the cluster nuclearity remained essentially unchanged, although reduction and oxidation occurred, respectively, as shown by XANES and UV-vis spectra; in the reoxidation, the tantalum oxidation state change was approximately two electronic charges per tritantalum cluster. The data demonstrate an analogy between the chemistry of group 5 metals on the SiO{sub 2} support and their chemistry in solution, as determined by the group of Cotton.

  6. Polymorph characterization of active pharmaceutical ingredients (APIs) using low-frequency Raman spectroscopy.

    Science.gov (United States)

    Larkin, Peter J; Dabros, Marta; Sarsfield, Beth; Chan, Eric; Carriere, James T; Smith, Brian C

    2014-01-01

    Polymorph detection, identification, and quantitation in crystalline materials are of great importance to the pharmaceutical industry. Vibrational spectroscopic techniques used for this purpose include Fourier transform mid-infrared (FT-MIR) spectroscopy, Fourier transform near-infrared (FT-NIR) spectroscopy, Raman spectroscopy, and terahertz (THz) and far-infrared (FIR) spectroscopy. Typically, the fundamental molecular vibrations accessed using high-frequency Raman and MIR spectroscopy or the overtone and combination of bands in the NIR spectra are used to monitor the solid-state forms of active pharmaceutical ingredients (APIs). The local environmental sensitivity of the fundamental molecular vibrations provides an indirect probe of the long-range order in molecular crystals. However, low-frequency vibrational spectroscopy provides access to the lattice vibrations of molecular crystals and, hence, has the potential to more directly probe intermolecular interactions in the solid state. Recent advances in filter technology enable high-quality, low-frequency Raman spectra to be acquired using a single-stage spectrograph. This innovation enables the cost-effective collection of high-quality Raman spectra in the 200-10 cm(-1) region. In this study, we demonstrate the potential of low-frequency Raman spectroscopy for the polymorphic characterization of APIs. This approach provides several benefits over existing techniques, including ease of sampling and more intense, information-rich band structures that can potentially discriminate among crystalline forms. An improved understanding of the relationship between the crystalline structure and the low-frequency vibrational spectrum is needed for the more widespread use of the technique.

  7. Time-Resolved Fluorescence Spectroscopy and Fluorescence Lifetime Imaging Microscopy for Characterization of Dendritic Polymer Nanoparticles and Applications in Nanomedicine

    Directory of Open Access Journals (Sweden)

    Alexander Boreham

    2016-12-01

    Full Text Available The emerging field of nanomedicine provides new approaches for the diagnosis and treatment of diseases, for symptom relief and for monitoring of disease progression. One route of realizing this approach is through carefully constructed nanoparticles. Due to the small size inherent to the nanoparticles a proper characterization is not trivial. This review highlights the application of time-resolved fluorescence spectroscopy and fluorescence lifetime imaging microscopy (FLIM for the analysis of nanoparticles, covering aspects ranging from molecular properties to particle detection in tissue samples. The latter technique is particularly important as FLIM allows for distinguishing of target molecules from the autofluorescent background and, due to the environmental sensitivity of the fluorescence lifetime, also offers insights into the local environment of the nanoparticle or its interactions with other biomolecules. Thus, these techniques offer highly suitable tools in the fields of particle development, such as organic chemistry, and in the fields of particle application, such as in experimental dermatology or pharmaceutical research.

  8. Time-Resolved Fluorescence Spectroscopy and Fluorescence Lifetime Imaging Microscopy for Characterization of Dendritic Polymer Nanoparticles and Applications in Nanomedicine.

    Science.gov (United States)

    Boreham, Alexander; Brodwolf, Robert; Walker, Karolina; Haag, Rainer; Alexiev, Ulrike

    2016-12-24

    The emerging field of nanomedicine provides new approaches for the diagnosis and treatment of diseases, for symptom relief and for monitoring of disease progression. One route of realizing this approach is through carefully constructed nanoparticles. Due to the small size inherent to the nanoparticles a proper characterization is not trivial. This review highlights the application of time-resolved fluorescence spectroscopy and fluorescence lifetime imaging microscopy (FLIM) for the analysis of nanoparticles, covering aspects ranging from molecular properties to particle detection in tissue samples. The latter technique is particularly important as FLIM allows for distinguishing of target molecules from the autofluorescent background and, due to the environmental sensitivity of the fluorescence lifetime, also offers insights into the local environment of the nanoparticle or its interactions with other biomolecules. Thus, these techniques offer highly suitable tools in the fields of particle development, such as organic chemistry, and in the fields of particle application, such as in experimental dermatology or pharmaceutical research.

  9. Materials characterization of free volume and void properties by two-dimensional positron annihilation lifetime spectroscopy

    Science.gov (United States)

    Chen, Hongmin; Van Horn, J. David; Jean, Y. C.; Hung, Wei-Song; Lee, Kueir-Rarn

    2013-04-01

    Positron annihilation lifetime spectroscopy (PALS) has been widely used to determine the free volume and void properties in polymeric materials. Recently, a two dimensional positron annihilation lifetime spectroscopy (2DPALS) system has been developed for membrane applications. The system measures the coincident signals between the lifetime and the energy which could separate the 2γ and 3γ annihilations and improve the accuracy in the determination of the free volume and void properties. When 2D-PALS is used in coupling with a variable mono-energy slow positron beam, it could be applied to a variety of material characterization. Results of free volumes and voids properties in a multi-layer polymer membrane characterized using 2D-PALS are presented.

  10. Combined operando Raman/UV-Vis-NIR spectroscopy as a tool to study supported metal oxide catalysts at work

    NARCIS (Netherlands)

    Tinnemans, Stanislaus Josephus

    2006-01-01

    A novel set-up has been developed in which two complementary spectroscopic techniques, namely operando Raman and UV-Vis-NIR spectroscopy, are combined. With this set-up it is possible to characterize catalytic materials under reaction conditions (high temperature, normal pressure) and in this way on

  11. Reflectance spectroscopy is an effective tool for monitoring soot pollution in an urban suburb.

    Science.gov (United States)

    Saaroni, H; Chudnovsky, A; Ben-Dor, E

    2010-02-01

    This study examines whether converting the fossil fuel of the Tel Aviv power station from oil to gas influences air pollution in the local urban environment. To this end, the spectral properties of accumulated dust on tree leaves and paper bags were assessed before (2004) and after (2006) the conversion. The sampling site was a garden in a neighborhood located 2700m downwind of the power station. In addition, air pollution concentrations and particulate matter parameters recorded by a local meteorological station were analyzed (PM(10), NO(x), NO(2), NO, and SO(2)). Although differences in the average monthly concentration of pollution parameters are mostly insignificant between the two periods, the accumulated particulate matter exhibits considerably different spectral patterns. All first period samples exhibit a distinctly concave slope in the spectral region between 400 and 1400nm, indicative of high amounts of soot, most likely due to the combustion products of fuel oil exhausted by the power plant. In contrast, the second period samples exhibit spectra that indicate reduced soot content and even appear slightly convex, evidencing the presence of dust of mineral origin, a feature likely masked by the soot in the first period. Thus, the spectral data support that the power plant conversion results in less pollution. More generally, this study corroborates that VIS-NIR-SWIR spectroscopy characterizes key properties of the particulate layer accumulating on sampled surfaces and thus, is a powerful method for monitoring the urban environment. Copyright 2009 Elsevier B.V. All rights reserved.

  12. Characterization by acoustic emission and electrochemical impedance spectroscopy of the cathodic disbonding of Zn coating

    International Nuclear Information System (INIS)

    Amami, Souhail; Lemaitre, Christian; Laksimi, Abdelouahed; Benmedakhene, Salim

    2010-01-01

    Galvanized steel has been tested in a synthetic sea water solution under different cathodic overprotection conditions. The generated hydrogen flux caused the damage of the metal-zinc interface and led to a progressive coating detachment. Scanning electron microscopy, electrochemical impedance spectroscopy and acoustic emission technique were used to characterize the damage chronology under different cathodic potentials. A damage mechanism was proposed and the acoustic signature related to the coating degradation was statistically identified using clustering techniques.

  13. Characterization by acoustic emission and electrochemical impedance spectroscopy of the cathodic disbonding of Zn coating

    Energy Technology Data Exchange (ETDEWEB)

    Amami, Souhail [Universite de Technologie de Compiegne, Departement de Genie Mecanique, Laboratoire Roberval, UMR 6066 du CNRS, B.P. 20529, 60206 Compiegne Cedex (France)], E-mail: souhail.amami@utc.fr; Lemaitre, Christian; Laksimi, Abdelouahed; Benmedakhene, Salim [Universite de Technologie de Compiegne, Departement de Genie Mecanique, Laboratoire Roberval, UMR 6066 du CNRS, B.P. 20529, 60206 Compiegne Cedex (France)

    2010-05-15

    Galvanized steel has been tested in a synthetic sea water solution under different cathodic overprotection conditions. The generated hydrogen flux caused the damage of the metal-zinc interface and led to a progressive coating detachment. Scanning electron microscopy, electrochemical impedance spectroscopy and acoustic emission technique were used to characterize the damage chronology under different cathodic potentials. A damage mechanism was proposed and the acoustic signature related to the coating degradation was statistically identified using clustering techniques.

  14. Characterization of redeposited carbon layers on TEXTOR limiter by Laser Raman spectroscopy

    International Nuclear Information System (INIS)

    Egashira, K.; Tanabe, T.; Yoshida, M.; Nakazato, H.; Philipps, V.; Brezinsek, S.; Kreter, A.

    2011-01-01

    Highlights: ► Laser Raman technique has applied to analyze the deposited carbon layers on TEXTOR test limiters of C and W. ► The carbon deposited layers showed the Raman spectra composed of G-peak and D-peak. ► For W limiter, hydrogen concentrations in the deposited carbon layers and their thicknesses correlated to the two peaks. ► The Laser Raman spectroscopy is a promising tool for in situ analysis of carbon redeposit layers on plasma facing W materials. - Abstract: Laser Raman spectroscopy is quite sensitive to detect the changes of graphite structure. In this study, the Laser Raman technique was applied to analyze the deposited carbon layers on TEXTOR test limiters of carbon (C) and tungsten (W) produced by intentional carbon deposition experiments by methane gas puffing. The carbon deposited layers showed the Raman spectra composed of two broad peaks, G-peak and D-peak, centered at around 1580 and 1355 cm −1 respectively. For W limiter, the G-peak position and the integrated intensity of the two peaks well correlate to hydrogen concentrations in the deposited carbon layers and their thicknesses, respectively. Hence Laser Raman spectroscopy is a promising tool for the in situ analysis of carbon redeposit layers on plasma facing W materials and probably on Be materials.

  15. Spectroscopy of scattered light for the characterization of micro and nanoscale objects in biology and medicine.

    Science.gov (United States)

    Turzhitsky, Vladimir; Qiu, Le; Itzkan, Irving; Novikov, Andrei A; Kotelev, Mikhail S; Getmanskiy, Michael; Vinokurov, Vladimir A; Muradov, Alexander V; Perelman, Lev T

    2014-01-01

    The biomedical uses for the spectroscopy of scattered light by micro and nanoscale objects can broadly be classified into two areas. The first, often called light scattering spectroscopy (LSS), deals with light scattered by dielectric particles, such as cellular and sub-cellular organelles, and is employed to measure their size or other physical characteristics. Examples include the use of LSS to measure the size distributions of nuclei or mitochondria. The native contrast that is achieved with LSS can serve as a non-invasive diagnostic and scientific tool. The other area for the use of the spectroscopy of scattered light in biology and medicine involves using conducting metal nanoparticles to obtain either contrast or electric field enhancement through the effect of the surface plasmon resonance (SPR). Gold and silver metal nanoparticles are non-toxic, they do not photobleach, are relatively inexpensive, are wavelength-tunable, and can be labeled with antibodies. This makes them very promising candidates for spectrally encoded molecular imaging. Metal nanoparticles can also serve as electric field enhancers of Raman signals. Surface enhanced Raman spectroscopy (SERS) is a powerful method for detecting and identifying molecules down to single molecule concentrations. In this review, we will concentrate on the common physical principles, which allow one to understand these apparently different areas using similar physical and mathematical approaches. We will also describe the major advancements in each of these areas, as well as some of the exciting recent developments.

  16. High resolution X-ray emission spectroscopy: An advanced tool for actinide research

    Science.gov (United States)

    Vitova, T.; Brendebach, B.; Dardenne, K.; Denecke, M. A.; Lebid, A.; Löble, M.; Rothe, J.; Batuk, O. N.; Hormes, J.; Liu, D.; Breher, F.; Geckeis, H.

    2010-03-01

    High resolution X-ray emission spectroscopy (HRXES) is becoming increasingly important for our understanding of electronic and coordination structures. The combination of such information with development of quantum theoretical tools will advance our capability for predicting reactivity and physical behavior especially of 5f elements. HRXES can be used to remove lifetime broadening by registering the partial fluorescence yield emitted by the sample (i.e., recording a windowed signal from the energy dispersed fluorescence emission while varying incident photon energy), thereby yielding highly resolved X-ray absorption fine structure (XAFS) spectra. Such spectra often display resonant features not observed in conventional XAFS. The spectrometer set-up can also be used for a wide range of other experiments, for example, resonant inelastic X-ray scattering (RIXS), where bulk electron configuration information in solids, liquids and gases is obtained. Valence-selective XAFS studies, where the local structure of a selected element's valence state present in a mixture of valence states can be obtained, as well as site-selective XAFS studies, where the coordination structure of a metal bound to selected elements can be differentiated from that of all the other ligating atoms. A HRXES spectrometer has been constructed and is presently being commissioned for use at the INE-Beamline for actinide research at the synchrotron source ANKA at FZK. We present the spectrometer's compact, modular design, optimized for attaining a wide range of energies, and first test measurement results. Examples from HRXES studies of lanthanides, actinides counter parts, are also shown.

  17. Retrieval interval mapping, a tool to optimize the spectral retrieval range in differential optical absorption spectroscopy

    Science.gov (United States)

    Vogel, L.; Sihler, H.; Lampel, J.; Wagner, T.; Platt, U.

    2012-06-01

    Remote sensing via differential optical absorption spectroscopy (DOAS) has become a standard technique to identify and quantify trace gases in the atmosphere. The technique is applied in a variety of configurations, commonly classified into active and passive instruments using artificial and natural light sources, respectively. Platforms range from ground based to satellite instruments and trace-gases are studied in all kinds of different environments. Due to the wide range of measurement conditions, atmospheric compositions and instruments used, a specific challenge of a DOAS retrieval is to optimize the parameters for each specific case and particular trace gas of interest. This becomes especially important when measuring close to the detection limit. A well chosen evaluation wavelength range is crucial to the DOAS technique. It should encompass strong absorption bands of the trace gas of interest in order to maximize the sensitivity of the retrieval, while at the same time minimizing absorption structures of other trace gases and thus potential interferences. Also, instrumental limitations and wavelength depending sources of errors (e.g. insufficient corrections for the Ring effect and cross correlations between trace gas cross sections) need to be taken into account. Most often, not all of these requirements can be fulfilled simultaneously and a compromise needs to be found depending on the conditions at hand. Although for many trace gases the overall dependence of common DOAS retrieval on the evaluation wavelength interval is known, a systematic approach to find the optimal retrieval wavelength range and qualitative assessment is missing. Here we present a novel tool to determine the optimal evaluation wavelength range. It is based on mapping retrieved values in the retrieval wavelength space and thus visualize the consequence of different choices of retrieval spectral ranges, e.g. caused by slightly erroneous absorption cross sections, cross correlations and

  18. Infrared spectroscopy: a tool for determination of the degree of conversion in dental composites

    Directory of Open Access Journals (Sweden)

    Luciene Gonçalves Palmeira Moraes

    2008-04-01

    Full Text Available Infrared spectroscopy is one of the most widely used techniques for measurement of conversion degree in dental composites. However, to obtain good quality spectra and quantitative analysis from spectral data, appropriate expertise and knowledge of the technique are mandatory. This paper presents important details to use infrared spectroscopy for determination of the conversion degree.

  19. Characterizing millisecond intermediates in hemoproteins using rapid-freeze-quench resonance Raman spectroscopy.

    Science.gov (United States)

    Matsumura, Hirotoshi; Moënne-Loccoz, Pierre

    2014-01-01

    The combination of rapid freeze quenching (RFQ) with resonance Raman (RR) spectroscopy represents a unique tool with which to investigate the nature of short-lived intermediates formed during the enzymatic reactions of metalloproteins. Commercially available equipment allows trapping of intermediates within a millisecond to second time scale for low-temperature RR analysis resulting in the direct detection of metal-ligand vibrations and porphyrin skeletal vibrations in hemoproteins. This chapter briefly discusses RFQ-RR studies carried out previously in our laboratory and presents, as a practical example, protocols for the preparation of RFQ samples of the reaction of metmyoglobin with nitric oxide (NO) under anaerobic conditions. Also described are important controls and practical procedures for the analysis of these samples by low-temperature RR spectroscopy.

  20. Fourier transform-infrared spectroscopy as a diagnostic tool for mosquito coil smoke inhalation toxicity in Swiss Albino mice

    Science.gov (United States)

    Anusha, Chidambaram; Sankar, Renu; Varunkumar, Krishnamoorthy; Sivasindhuja, Gnanasambantham; Ravikumar, Vilwanathan

    2017-12-01

    The goal of this study is to establish Fourier transform-infrared (FTIR) spectroscopy as a diagnostic tool for allethrin-based mosquito coil smoke inhalation induced toxicity in mice. Primarily, we confirmed mosquito coil smoke inhalation toxicity in mice via reduced the body, organ weight and major vital organ tissue morphological structure changes. Furthermore, FTIR spectra was collected from control and mosquito coil smoke inhalation (8 h per day for 30 days) mice various tissues like liver, kidney, lung, heart and brain, to investigate the functional groups and their corresponding biochemical content variations. The FTIR spectra result shown major bio macromolecules such as protein and lipid functional peaks were shifted (decreased) in the mosquito coil smoke inhalation group as compared to control. The drastic peak shift was noticed in the liver, kidney followed by lung and brain. It is therefore concluded that the FTIR spectroscopy can be a successful detection tool in mosquito coil smoke inhalation toxicity.

  1. Metabolomics As a Tool for the Characterization of Drug-Resistant Epilepsy.

    Science.gov (United States)

    Murgia, Federica; Muroni, Antonella; Puligheddu, Monica; Polizzi, Lorenzo; Barberini, Luigi; Orofino, Gianni; Solla, Paolo; Poddighe, Simone; Del Carratore, Francesco; Griffin, Julian L; Atzori, Luigi; Marrosu, Francesco

    2017-01-01

    Drug resistance is a critical issue in the treatment of epilepsy, contributing to clinical emergencies and increasing both serious social and economic burdens on the health system. The wide variety of potential drug combinations followed by often failed consecutive attempts to match drugs to an individual patient may mean that this treatment stage may last for years with suboptimal benefit to the patient. Given these challenges, it is valuable to explore the availability of new methodologies able to shorten the period of determining a rationale pharmacologic treatment. Metabolomics could provide such a tool to investigate possible markers of drug resistance in subjects with epilepsy. Blood samples were collected from (1) controls (C) ( n  = 35), (2) patients with epilepsy "responder" (R) ( n  = 18), and (3) patients with epilepsy "non-responder" (NR) ( n  = 17) to the drug therapy. The samples were analyzed using nuclear magnetic resonance spectroscopy, followed by multivariate statistical analysis. A different metabolic profile based on metabolomics analysis of the serum was observed between C and patients with epilepsy and also between R and NR patients. It was possible to identify the discriminant metabolites for the three classes under investigation. Serum from patients with epilepsy were characterized by increased levels of 3-OH-butyrate, 2-OH-valerate, 2-OH-butyrate, acetoacetate, acetone, acetate, choline, alanine, glutamate, scyllo-inositol (C lactate, and citrate compared to C (C > R > NR). In conclusion, metabolomics may represent an important tool for discovery of differences between subjects affected by epilepsy responding or resistant to therapies and for the study of its pathophysiology, optimizing the therapeutic resources and the quality of life of patients.

  2. Metabolomics As a Tool for the Characterization of Drug-Resistant Epilepsy

    Directory of Open Access Journals (Sweden)

    Federica Murgia

    2017-09-01

    Full Text Available PurposeDrug resistance is a critical issue in the treatment of epilepsy, contributing to clinical emergencies and increasing both serious social and economic burdens on the health system. The wide variety of potential drug combinations followed by often failed consecutive attempts to match drugs to an individual patient may mean that this treatment stage may last for years with suboptimal benefit to the patient. Given these challenges, it is valuable to explore the availability of new methodologies able to shorten the period of determining a rationale pharmacologic treatment. Metabolomics could provide such a tool to investigate possible markers of drug resistance in subjects with epilepsy.MethodsBlood samples were collected from (1 controls (C (n = 35, (2 patients with epilepsy “responder” (R (n = 18, and (3 patients with epilepsy “non-responder” (NR (n = 17 to the drug therapy. The samples were analyzed using nuclear magnetic resonance spectroscopy, followed by multivariate statistical analysis.Key findingsA different metabolic profile based on metabolomics analysis of the serum was observed between C and patients with epilepsy and also between R and NR patients. It was possible to identify the discriminant metabolites for the three classes under investigation. Serum from patients with epilepsy were characterized by increased levels of 3-OH-butyrate, 2-OH-valerate, 2-OH-butyrate, acetoacetate, acetone, acetate, choline, alanine, glutamate, scyllo-inositol (C < R < NR, and decreased concentration of glucose, lactate, and citrate compared to C (C > R > NR.SignificanceIn conclusion, metabolomics may represent an important tool for discovery of differences between subjects affected by epilepsy responding or resistant to therapies and for the study of its pathophysiology, optimizing the therapeutic resources and the quality of life of patients.

  3. Medipix2 as a tool for proton beam characterization

    Science.gov (United States)

    Bisogni, M. G.; Cirrone, G. A. P.; Cuttone, G.; Del Guerra, A.; Lojacono, P.; Piliero, M. A.; Romano, F.; Rosso, V.; Sipala, V.; Stefanini, A.

    2009-08-01

    Proton therapy is a technique used to deliver a highly accurate and effective dose for the treatment of a variety of tumor diseases. The possibility to have an instrument able to give online information could reduce the time necessary to characterize the proton beam. To this aim we propose a detection system for online proton beam characterization based on the Medipix2 chip. Medipix2 is a detection system based on a single event counter read-out chip, bump-bonded to silicon pixel detector. The read-out chip is a matrix of 256×256 cells, 55×55 μm 2 each. To demonstrate the capabilities of Medipix2 as a proton detector, we have used a 62 MeV flux proton beam at the CATANA beam line of the LNS-INFN laboratory. The measurements performed confirmed the good imaging performances of the Medipix2 system also for the characterization of proton beams.

  4. Medipix2 as a tool for proton beam characterization

    Energy Technology Data Exchange (ETDEWEB)

    Bisogni, M.G. [Department of Physics, University of Pisa and INFN Sezione di Pisa, Pisa (Italy); Cirrone, G.A.P.; Cuttone, G. [INFN Laboratori Nazionali del Sud, Catania (Italy); Del Guerra, A. [Department of Physics, University of Pisa and INFN Sezione di Pisa, Pisa (Italy); Lojacono, P. [INFN Laboratori Nazionali del Sud, Catania (Italy); Piliero, M.A. [Department of Physics, University of Pisa and INFN Sezione di Pisa, Pisa (Italy); Romano, F. [INFN Laboratori Nazionali del Sud, Catania (Italy); Rosso, V. [Department of Physics, University of Pisa and INFN Sezione di Pisa, Pisa (Italy)], E-mail: valeria.rosso@pi.infn.it; Sipala, V. [Department of Physics and Astronomy, University of Catania and INFN Sezione di Catania, Catania (Italy); Stefanini, A. [Department of Physics, University of Pisa and INFN Sezione di Pisa, Pisa (Italy)

    2009-08-01

    Proton therapy is a technique used to deliver a highly accurate and effective dose for the treatment of a variety of tumor diseases. The possibility to have an instrument able to give online information could reduce the time necessary to characterize the proton beam. To this aim we propose a detection system for online proton beam characterization based on the Medipix2 chip. Medipix2 is a detection system based on a single event counter read-out chip, bump-bonded to silicon pixel detector. The read-out chip is a matrix of 256x256 cells, 55x55 {mu}m{sup 2} each. To demonstrate the capabilities of Medipix2 as a proton detector, we have used a 62 MeV flux proton beam at the CATANA beam line of the LNS-INFN laboratory. The measurements performed confirmed the good imaging performances of the Medipix2 system also for the characterization of proton beams.

  5. Medipix2 as a tool for proton beam characterization

    International Nuclear Information System (INIS)

    Bisogni, M.G.; Cirrone, G.A.P.; Cuttone, G.; Del Guerra, A.; Lojacono, P.; Piliero, M.A.; Romano, F.; Rosso, V.; Sipala, V.; Stefanini, A.

    2009-01-01

    Proton therapy is a technique used to deliver a highly accurate and effective dose for the treatment of a variety of tumor diseases. The possibility to have an instrument able to give online information could reduce the time necessary to characterize the proton beam. To this aim we propose a detection system for online proton beam characterization based on the Medipix2 chip. Medipix2 is a detection system based on a single event counter read-out chip, bump-bonded to silicon pixel detector. The read-out chip is a matrix of 256x256 cells, 55x55 μm 2 each. To demonstrate the capabilities of Medipix2 as a proton detector, we have used a 62 MeV flux proton beam at the CATANA beam line of the LNS-INFN laboratory. The measurements performed confirmed the good imaging performances of the Medipix2 system also for the characterization of proton beams.

  6. Estimation of carbonate concentration and characterization of marine sediments by Fourier transform infrared spectroscopy.

    Digital Repository Service at National Institute of Oceanography (India)

    Veerasingam, S.; Venkatachalapathy, R.

    its saturation horizon is shallower than that calcite [1]. Elements such as Ca2+ and Mg2+, in addition to their substantial contribution to marine sediments, are used biologically in vital cellular processes and in the mineralization of skeletons... such as ocean acidification on ecosystems. Thus, a rapid, cheap and non-destructive tool is required to investigate the distribution of CaCO3 in sediments for the understanding of the fate of biologically produced carbonate. 3    FTIR spectroscopy is one...

  7. The use of dielectric spectroscopy for the characterization of polymer-induced flocculation of polystyrene particles

    DEFF Research Database (Denmark)

    Christensen, Peter Vittrup; Keiding, Kristian

    2008-01-01

    in dilute suspensions. Thus, techniques usable for flocculation characterization in high-solids suspensions are desirable. This study investigates the use of dielectric spectroscopy to monitor the flocculation of polystyrene particles with a cationic polymer. The frequency-dependent permittivity is modeled......The flocculation of colloidal suspensions is an important unit operation in many industries, as it greatly improves the performance of solid separation processes. The number of available techniques for evaluating flocculation processes on line is limited, and most of these are only functional...... as a decrease in the magnitude of the dielectric dispersion. The use of dielectric spectroscopy is found to be valuable for assessing flocculation processes in high-solids suspensions, as changes in parameters Such as floc size and charge can be detected....

  8. Characterization of bundled and individual triple-walled carbon nanotubes by resonant Raman spectroscopy.

    Science.gov (United States)

    Hirschmann, Thomas Ch; Araujo, Paulo T; Muramatsu, Hiroyuki; Zhang, Xu; Nielsch, Kornelius; Kim, Yoong Ahm; Dresselhaus, Mildred S

    2013-03-26

    The optical characterization of bundled and individual triple-walled carbon nanotubes was studied for the first time in detail by using resonant Raman spectroscopy. In our approach, the outer tube of a triple-walled carbon nanotube system protects the two inner tubes (or equivalently the inner double-walled carbon nanotube) from external environment interactions making them a partially isolated system. Following the spectral changes and line-widths of the radial breathing modes and G-band by performing laser energy dependent Raman spectroscopy, it is possible to extract important information as regards to the electronic and vibrational properties, tube diameters, wall-to-wall distances, radial breathing mode, and G-band resonance evolutions as well as high-curvature intertube interactions in isolated double- and triple-walled carbon nanotube systems.

  9. Formation and characterization of varied size germanium nanocrystals by electron microscopy, Raman spectroscopy, and photoluminescence

    DEFF Research Database (Denmark)

    Ou, Haiyan; Ou, Yiyu; Liu, Chuan

    2011-01-01

    Germanium nanocrystals are being extensively examined. Their unique optical properties (brought about by the quantum confinement effect) could potentially be applied in wide areas of nonlinear optics, light emission and solid state memory etc. In this paper, Ge nanocrystals embedded in a SiO2...... matrix were formed by complementary metal-oxide-semiconductor compatible technology, e.g. plasma enhanced chemical vapour deposition and annealing. Different sizes of the Ge nanocrystals were prepared and analyzed by transmission electron microscopy with respect to their size, distribution...... and crystallization. The samples of different size Ge nanocrystals embedded in the SiO2 matrix were characterized by Raman spectroscopy and photoluminescence. Interplayed size and strain effect of Ge nanocystals was demonstrated by Raman spectroscopy after excluding the thermal effect with proper excitation laser...

  10. Application of terahertz spectroscopy for characterization of biologically active organic molecules in natural environment

    Science.gov (United States)

    Karaliūnas, Mindaugas; Jakštas, Vytautas; Nasser, Kinan E.; Venckevičius, Rimvydas; Urbanowicz, Andrzej; Kašalynas, Irmantas; Valušis, Gintaras

    2016-09-01

    In this work, a comparative research of biologically active organic molecules in its natural environment using the terahertz (THz) time domain spectroscopy (TDS) and Fourier transform spectroscopy (FTS) systems is carried out. Absorption coefficient and refractive index of Nicotiana tabacum L. leaves containing nicotine, Cannabis sativa L. leaves containing tetrahydrocannabinol, and Humulu lupulus L. leaves containing α-acids, active organic molecules that obtain in natural environment, were measured in broad frequency range from 0.1 to 13 THz at room temperature. In the spectra of absorption coefficient the features were found to be unique for N. tabacum, C. sativa and H. lupulus. Moreover, those features can be exploited for identification of C. sativa sex and N. tabacum origin. The refractive index can be also used to characterize different species.

  11. Identification of inks and structural characterization of contemporary artistic prints by laser-induced breakdown spectroscopy

    International Nuclear Information System (INIS)

    Oujja, M.; Vila, A.; Rebollar, E.; Garcia, J.F.; Castillejo, M.

    2005-01-01

    Identification of the inks used in artistic prints and the order in which different ink layers have been applied on a paper substrate are important factors to complement the classical stylistic aspects for the authentication of this type of objects. Laser-induced breakdown spectroscopy (LIBS) is investigated to determine the chemical composition and structural distribution of the constituent materials of model prints made by applying one or two layers of several blue and black inks on an Arches paper substrate. By using suitable laser excitation conditions, identification of the inks was possible by virtue of emissions from key elements present in their composition. Analysis of successive spectra on the same spot allowed the identification of the order in which the inks were applied on the paper. The results show the potential of laser-induced breakdown spectroscopy for the chemical and structural characterization of artistic prints

  12. CHARACTERIZATION OF NEW TOOL STEEL FOR ALUMINUM EXTRUSION DIES

    OpenAIRE

    José Britti Bacalhau; Fernanda Moreno Rodrigues; Rafael Agnelli Mesquita

    2014-01-01

    Aluminum extrusion dies are an important segment of application on industrial tools steels, which are manufactured in steels based on AISI H13 steel. The main properties of steels applied to extrusion dies are: wear resistance, impact resistance and tempering resistance. The present work discusses the characteristics of a newly developed hot work steel to be used on aluminum extrusion dies. The effects of Cr and Mo contents with respect to tempering resistance and the Al addition ...

  13. Fluorescence spectroscopy as a tool for quality assessment of humic substances

    Science.gov (United States)

    Boguta, Patrycja

    2016-04-01

    *The studies were partly carried out within the framework of a research project. The project was financed from funds of National Science Center on the base of decision number DEC-2013/11/D/NZ9/02545. Fluorescence spectroscopy belongs to modern, non-destructive, rapid and relatively cheap methods, as well as for many years it was successfully used in studies of organic compounds in the fields of medicine, biology and chemistry. On the other hand, soil organic matter is a group of compounds with a complex spatial structure showing a large number of groups with different kinds of fluorophores. This could suggest the possibility of application of fluorescence spectroscopy in assessing the quality of humic substances as well as in monitoring of their chemical transformations. The aim of study was chemical description of humic and fulvic acids based on fluorescence spectra, as well as an attempt of evaluation of changes occurring under the influence of different pH and during interactions with various concentrations of metal. The humic and fulvic acids were isolated from chemically different soils. The measurements were carried out on Hitachi fluorescence spectrometer in solutions with a concentration of humic acids 40mg dm-3, at pH from 3 to 7, and for the evaluation of the metal impact: with increasing Zn concentrations (0-50mg dm-3). The fluorescence spectra were recorded in the form of synchronous and emission-excitation matrices (EEM). Studies have shown the presence of different groups of fluorophores. Synchronous spectra were characterized by a well-separated bands showing fluorescence in the area of low, medium and high wavelengths, suggesting the presence of structures, both weakly and strongly humified. EEM spectra revealed map of fluorophores within wide ranges of emission and excitation. Fluorophores differed in both position and intensity. The highest intensity was observed for compounds with the lowest humification degree which might be due to high amount

  14. Diffuse reflectance spectroscopy: a new guidance tool for improvement of biopsy procedures in lung malignancies

    NARCIS (Netherlands)

    Evers, Daniel; Evers, D.J.; Nachabe, R.; Klomp, H.M.; van Sandick, J.W.; Wouters, M.W.; Lucassen, G.W.; Lucassen, Gerald; Hendriks, B.H.; Wesseling, J.; Ruers, Theo J.M.

    2012-01-01

    Background: A significant number of percutaneous intrathoracic biopsy procedures result in indeterminate cytologic or histologic diagnosis in clinical practice. Diffuse reflectance spectroscopy (DRS) is an optical technique that can distinguish different tissue types on a microscopic level. DRS may

  15. Characterization of the ground state dynamics of proteorhodopsin by NMR and optical spectroscopies

    International Nuclear Information System (INIS)

    Stehle, Jochen; Scholz, Frank; Löhr, Frank; Reckel, Sina; Roos, Christian; Blum, Michaela; Braun, Markus; Glaubitz, Clemens; Dötsch, Volker; Wachtveitl, Josef; Schwalbe, Harald

    2012-01-01

    We characterized the dynamics of proteorhodopsin (PR), solubilized in diC7PC, a detergent micelle, by liquid-state NMR spectroscopy at T = 323 K. Insights into the dynamics of PR at different time scales could be obtained and dynamic hot spots could be identified at distinct, functionally relevant regions of the protein, including the BC loop, the EF loop, the N-terminal part of helix F and the C-terminal part of helix G. We further characterize the dependence of the photocycle on different detergents (n-Dodecyl β-D-maltoside DDM; 1,2-diheptanoyl-sn-glycero-3-phosphocholine diC7PC) by ultrafast time-resolved UV/VIS spectroscopy. While the photocycle intermediates of PR in diC7PC and DDM exhibit highly similar spectral characteristics, significant changes in the population of these intermediates are observed. In-situ NMR experiments have been applied to characterize structural changes during the photocycle. Light-induced chemical shift changes detected during the photocycle in diC7PC are very small, in line with the changes in the population of intermediates in the photocycle of proteorhodopsin in diC7PC, where the late O-intermediate populated in DDM is missing and the population is shifted towards an equilibrium of intermediates states (M, N, O) without accumulation of a single populated intermediate.

  16. Fourier Transform Infrared Spectroscopy as a Tool in Analysis of Proteus mirabilis Endotoxins.

    Science.gov (United States)

    Żarnowiec, Paulina; Czerwonka, Grzegorz; Kaca, Wiesław

    2017-01-01

    Fourier transform infrared spectroscopy (FT-IR) was used to scan whole bacterial cells as well as lipopolysaccharides (LPSs, endotoxins) isolated from them. Proteus mirabilis cells, with chemically defined LPSs, served as a model for the ATR FT-IR method. The paper focuses on three steps of infrared spectroscopy: (1) sample preparation, (2) IR scanning, and (3) multivariate analysis of IR data (principal component analysis, PCA).

  17. Synthesizing and Characterizing Graphene via Raman Spectroscopy: An Upper-Level Undergraduate Experiment That Exposes Students to Raman Spectroscopy and a 2D Nanomaterial

    Science.gov (United States)

    Parobek, David; Shenoy, Ganesh; Zhou, Feng; Peng, Zhenbo; Ward, Michelle; Liu, Haitao

    2016-01-01

    In this upper-level undergraduate experiment, students utilize micro-Raman spectroscopy to characterize graphene prepared by mechanical exfoliation and chemical vapor deposition (CVD). The mechanically exfoliated samples are prepared by the students while CVD graphene can be purchased or obtained through outside sources. Owing to the intense Raman…

  18. New PLS analysis approach to wine volatile compounds characterization by near infrared spectroscopy (NIR).

    Science.gov (United States)

    Genisheva, Z; Quintelas, C; Mesquita, D P; Ferreira, E C; Oliveira, J M; Amaral, A L

    2018-04-25

    This work aims to explore the potential of near infrared (NIR) spectroscopy to quantify volatile compounds in Vinho Verde wines, commonly determined by gas chromatography. For this purpose, 105 Vinho Verde wine samples were analyzed using Fourier transform near infrared (FT-NIR) transmission spectroscopy in the range of 5435 cm -1 to 6357 cm -1 . Boxplot and principal components analysis (PCA) were performed for clusters identification and outliers removal. A partial least square (PLS) regression was then applied to develop the calibration models, by a new iterative approach. The predictive ability of the models was confirmed by an external validation procedure with an independent sample set. The obtained results could be considered as quite good with coefficients of determination (R 2 ) varying from 0.94 to 0.97. The current methodology, using NIR spectroscopy and chemometrics, can be seen as a promising rapid tool to determine volatile compounds in Vinho Verde wines. Copyright © 2017 Elsevier Ltd. All rights reserved.

  19. Characterization of the major nutritional components of Caryocar brasiliense fruit pulp by NMR spectroscopy

    International Nuclear Information System (INIS)

    Miranda-Vilela, Ana Luisa; Grisolia, Cesar Koppe; Resck, Ines Sabioni; Mendonca, Marcio Antonio

    2009-01-01

    Pequi (Caryocar brasiliense Camb.), a typical fruit of Brazilian Cerrado, is well known in regional cookery and used in folk medicine to treat various illnesses. Mass spectrometry and chromatographic methods have identified the organic composition of pequi fruit pulp; however, NMR spectroscopy is used for the first time to characterize the nutritional components of organic and aqueous-ethanolic extracts. This spectroscopic technique determined the triacylglycerols in the pequi organic fraction, which is constituted mainly by oleate and palmitate esters, and detected the carbohydrate mixtures as the major components of aqueous and ethanolic fractions, respectively. In this study, presence of phenolic compounds was only evidenced in the ethanolic fraction. (author)

  20. Characterization of the major nutritional components of Caryocar brasiliense fruit pulp by NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Miranda-Vilela, Ana Luisa; Grisolia, Cesar Koppe [Universidade de Brasilia (UnB), DF (Brazil). Inst. de Ciencias Biologicas. Dept. de Genetica e Morfologia; Resck, Ines Sabioni; Mendonca, Marcio Antonio [Universidade de Brasilia (UnB), DF (Brazil). Inst. de Quimica

    2009-07-01

    Pequi (Caryocar brasiliense Camb.), a typical fruit of Brazilian Cerrado, is well known in regional cookery and used in folk medicine to treat various illnesses. Mass spectrometry and chromatographic methods have identified the organic composition of pequi fruit pulp; however, NMR spectroscopy is used for the first time to characterize the nutritional components of organic and aqueous-ethanolic extracts. This spectroscopic technique determined the triacylglycerols in the pequi organic fraction, which is constituted mainly by oleate and palmitate esters, and detected the carbohydrate mixtures as the major components of aqueous and ethanolic fractions, respectively. In this study, presence of phenolic compounds was only evidenced in the ethanolic fraction. (author)

  1. The characterization of natural gemstones using non-invasive FT-IR spectroscopy: New data on tourmalines.

    Science.gov (United States)

    Mercurio, Mariano; Rossi, Manuela; Izzo, Francesco; Cappelletti, Piergiulio; Germinario, Chiara; Grifa, Celestino; Petrelli, Maurizio; Vergara, Alessandro; Langella, Alessio

    2018-02-01

    Fourteen samples of tourmaline from the Real Museo Mineralogico of Federico II University (Naples) have been characterized through multi-methodological investigations (EMPA-WDS, SEM-EDS, LA-ICP-MS, and FT-IR spectroscopy). The samples show different size, morphology and color, and are often associated with other minerals. Data on major and minor elements allowed to identify and classify tourmalines as follows: elbaites, tsilaisite, schorl, dravites, uvites and rossmanite. Non-invasive, non-destructive FT-IR and in-situ analyses were carried out on the same samples to validate this chemically-based identification and classification. The results of this research show that a complete characterization of this mineral species, usually time-consuming and expensive, can be successfully achieved through non-destructive FT-IR technique, thus representing a reliable tool for a fast classification extremely useful to plan further analytical strategies, as well as to support gemological appraisals. Copyright © 2017 Elsevier B.V. All rights reserved.

  2. Scattered surface charge density: A tool for surface characterization

    KAUST Repository

    Naydenov, Borislav; Mantega, Mauro; Rungger, Ivan; Sanvito, Stefano; Boland, John J.

    2011-01-01

    We demonstrate the use of nonlocal scanning tunneling spectroscopic measurements to characterize the local structure of adspecies in their states where they are significantly less perturbed by the probe, which is accomplished by mapping the amplitude and phase of the scattered surface charge density. As an example, we study single-H-atom adsorption on the n-type Si(100)-(4 × 2) surface, and demonstrate the existence of two different configurations that are distinguishable using the nonlocal approach and successfully corroborated by density functional theory. © 2011 American Physical Society.

  3. Scattered surface charge density: A tool for surface characterization

    KAUST Repository

    Naydenov, Borislav

    2011-11-28

    We demonstrate the use of nonlocal scanning tunneling spectroscopic measurements to characterize the local structure of adspecies in their states where they are significantly less perturbed by the probe, which is accomplished by mapping the amplitude and phase of the scattered surface charge density. As an example, we study single-H-atom adsorption on the n-type Si(100)-(4 × 2) surface, and demonstrate the existence of two different configurations that are distinguishable using the nonlocal approach and successfully corroborated by density functional theory. © 2011 American Physical Society.

  4. Characterization of Colloidal Quantum Dot Ligand Exchange by X-ray Photoelectron Spectroscopy

    Science.gov (United States)

    Atewologun, Ayomide; Ge, Wangyao; Stiff-Roberts, Adrienne D.

    2013-05-01

    Colloidal quantum dots (CQDs) are chemically synthesized semiconductor nanoparticles with size-dependent wavelength tunability. Chemical synthesis of CQDs involves the attachment of long organic surface ligands to prevent aggregation; however, these ligands also impede charge transport. Therefore, it is beneficial to exchange longer surface ligands for shorter ones for optoelectronic devices. Typical characterization techniques used to analyze surface ligand exchange include Fourier-transform infrared spectroscopy, x-ray diffraction, transmission electron microscopy, and nuclear magnetic resonance spectroscopy, yet these techniques do not provide a simultaneously direct, quantitative, and sensitive method for evaluating surface ligands on CQDs. In contrast, x-ray photoelectron spectroscopy (XPS) can provide nanoscale sensitivity for quantitative analysis of CQD surface ligand exchange. A unique aspect of this work is that a fingerprint is identified for shorter surface ligands by resolving the regional XPS spectrum corresponding to different types of carbon bonds. In addition, a deposition technique known as resonant infrared matrix-assisted pulsed laser evaporation is used to improve the CQD film uniformity such that stronger XPS signals are obtained, enabling more accurate analysis of the ligand exchange process.

  5. Characterization of the calcification of cardiac valve bioprostheses by environmental scanning electron microscopy and vibrational spectroscopy.

    Science.gov (United States)

    Delogne, Christophe; Lawford, Patricia V; Habesch, Steven M; Carolan, Vikki A

    2007-10-01

    Bioprosthetic heart valve tissue and associated calcification were studied in their natural state, using environmental scanning electron microscopy (ESEM). Energy dispersive X-ray micro-analysis, X-ray diffraction, Fourier-transform infrared and Raman spectroscopy were used to characterize the various calcific deposits observed with ESEM. The major elements present in calcified valves were also analyzed by inductively coupled plasma-optical emission spectroscopy. To better understand the precursor formation of the calcific deposits, results from the elemental analyses were statistically correlated. ESEM revealed the presence of four broad types of calcium phosphate crystal morphology. In addition, two main patterns of organization of calcific deposits were observed associated with the collagen fibres. Energy dispersive X-ray micro-analysis identified the crystals observed by ESEM as salts containing mainly calcium and phosphate with ratios from 1.340 (possibly octacalcium phosphate, which has a Ca/P ratio of 1.336) to 2.045 (possibly hydroxyapatite with incorporation of carbonate and metal ion contaminants, such as silicon and magnesium, in the crystal lattice). Raman and fourier-transform infrared spectroscopy also identified the presence of carbonate and the analyses showed spectral features very similar to a crystalline hydroxyapatite spectrum, also refuting the presence of precursor phases such as beta-tricalcium phosphate, octacalcium phosphate and dicalcium phosphate dihydrate. The results of this study raised the possibility of the presence of precursor phases associated with the early stages of calcification.

  6. Vibrational spectroscopy

    Science.gov (United States)

    Umesh P. Agarwal; Rajai Atalla

    2010-01-01

    Vibrational spectroscopy is an important tool in modern chemistry. In the past two decades, thanks to significant improvements in instrumentation and the development of new interpretive tools, it has become increasingly important for studies of lignin. This chapter presents the three important instrumental methods-Raman spectroscopy, infrared (IR) spectroscopy, and...

  7. Raman Spectroscopy: An Emerging Tool in Neurodegenerative Disease Research and Diagnosis.

    Science.gov (United States)

    Devitt, George; Howard, Kelly; Mudher, Amrit; Mahajan, Sumeet

    2018-03-21

    The pathogenesis underlining many neurodegenerative diseases remains incompletely understood. The lack of effective biomarkers and disease preventative medicine demands the development of new techniques to efficiently probe the mechanisms of disease and to detect early biomarkers predictive of disease onset. Raman spectroscopy is an established technique that allows the label-free fingerprinting and imaging of molecules based on their chemical constitution and structure. While analysis of isolated biological molecules has been widespread in the chemical community, applications of Raman spectroscopy to study clinically relevant biological species, disease pathogenesis, and diagnosis have been rapidly increasing since the past decade. The growing number of biomedical applications has shown the potential of Raman spectroscopy for detection of novel biomarkers that could enable the rapid and accurate screening of disease susceptibility and onset. Here we provide an overview of Raman spectroscopy and related techniques and their application to neurodegenerative diseases. We further discuss their potential utility in research, biomarker detection, and diagnosis. Challenges to routine use of Raman spectroscopy in the context of neuroscience research are also presented.

  8. Electrochemical Characterization and Degradation Analysis of Large SOFC Stacks by Impedance Spectroscopy

    DEFF Research Database (Denmark)

    Mosbæk, Rasmus Rode; Hjelm, Johan; Barfod, R.

    2013-01-01

    As solid oxide fuel cell (SOFC) technology is moving closer to a commercial break through, lifetime limiting factors, and methods to measure the “state-of-health” of operating cells and stacks are becoming of increasing interest. This requires application of advanced methods for detailed...... electrochemical characterization during operation. An experimental stack with low ohmic resistance from Topsoe Fuel Cell A/S was characterized in detail using electrochemical impedance spectroscopy (EIS). An investigation of the optimal geometrical placement of the current feeds and voltage probes was carried out...... with hydrogen as fuel with 52% fuel utilization and constant current load (0.2 A cm–2) at 750 °C. Stack interconnects were coated with six different coatings to prevent chromium poisoning on the cathode side. Four repeating units (RUs) with different coatings were selected for detailed impedance analysis. EIS...

  9. Synchrotron radiation-induced contamination on LiF window: Characterization by Raman spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Yadav, P. K., E-mail: praveenyadav@rrcat.gov.in [Material Research Laboratory, Indus Synchrotron Utilization Division (India); Swami, M. K. [Laser Biomedical Applications & Instrumentation Division, Raja Ramanna Centre for Advanced Technology, Indore-452013 (India)

    2016-05-23

    Characterization of synchrotron induced contamination on optical elements and their cleaning are serious issues in beam lines. We used Raman spectroscopy for characterization of synchrotron induced contamination layer on LiF window (used in high resolution vacuum ultra violet beam line). Three peaks at 1035 cm{sup −1} (corresponding to C-C sp{sup 3} vibrations), 1563 cm{sup −1} and 1375 cm{sup −1} (corresponding to G and D bands of carbon) are observed. By data fitting I(D)/I(G) ratio (0.84) and FWHM(G)=124 cm{sup −1} was obtained. Comparison with available literature indicates that the carbon might be present in the form of rings of hydrogenated amorphous carbon a-C:H (GLHC) with atomic hydrogen concentration about 15% with both sp{sup 2} and sp{sup 3} hybridization.

  10. Characterization of organic photovoltaic devices using femtosecond laser induced breakdown spectroscopy

    Science.gov (United States)

    Banerjee, S. P.; Sarnet, Thierry; Siozos, Panayiotis; Loulakis, Michalis; Anglos, Demetrios; Sentis, Marc

    2017-10-01

    The potential of laser induced breakdown spectroscopy (LIBS) as a non-contact probe, for characterizing organic photovoltaic devices during selective laser scribing, was investigated. Samples from organic solar cells were studied, which consisted of several layers of materials including a top electrode (Al, Mg or Mo), organic layer, bottom electrode (indium tin oxide), silicon nitride barrier layer and substrate layer situated from the top consecutively. The thickness of individual layers varies from 115 to 250 nm. LIBS measurements were performed by use of a 40 femtosecond Ti:Sapphire laser operated at very low pulse energy (solar cell structure, demonstrating the potential of LIBS for fast, non-contact characterization of organic photovoltaic coatings.

  11. Combined In Situ Illumination-NMR-UV/Vis Spectroscopy: A New Mechanistic Tool in Photochemistry.

    Science.gov (United States)

    Seegerer, Andreas; Nitschke, Philipp; Gschwind, Ruth M

    2018-06-18

    Synthetic applications in photochemistry are booming. Despite great progress in the development of new reactions, mechanistic investigations are still challenging. Therefore, we present a fully automated in situ combination of NMR spectroscopy, UV/Vis spectroscopy, and illumination to allow simultaneous and time-resolved detection of paramagnetic and diamagnetic species. This optical fiber-based setup enables the first acquisition of combined UV/Vis and NMR spectra in photocatalysis, as demonstrated on a conPET process. Furthermore, the broad applicability of combined UVNMR spectroscopy for light-induced processes is demonstrated on a structural and quantitative analysis of a photoswitch, including rate modulation and stabilization of transient species by temperature variation. Owing to the flexibility regarding the NMR hardware, temperature, and light sources, we expect wide-ranging applications of this setup in various research fields. © 2018 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

  12. High-Throughput Tools for Characterization of Antibody Epitopes

    DEFF Research Database (Denmark)

    Christiansen, Anders

    mapping. In Chapter 1, it was examined whether combining phage display, a traditional epitope mapping approach, with HTS would improve the method. The developed approach was successfully used to map Ara h 1 epitopes in sera from patients with peanut allergy. Notably, the sera represented difficult...... proliferation advantages. Finally, in Chapter 4, a different emerging technology, next-generation peptide microarrays, was applied for epitope mapping of major peanut allergens using sera from allergic patients. New developments in the peptide microarray have enabled a greatly increased throughput....... In this study, these improvements were utilized to characterize epitopes at high resolution, i.e. determine the importance of each residue for antibody binding, for all major peanut allergens. Epitope reactivity among patients often converged on known epitope hotspots, however the binding patterns were somewhat...

  13. X-ray photoelectron spectroscopy characterization of the ω phase in water quenched Ti-5553 alloy

    International Nuclear Information System (INIS)

    Qin, Dongyang; Lu, Yafeng; Zhang, Kong; Liu, Qian; Zhou, Lian

    2012-01-01

    X-ray photoelectron spectroscopy was used to investigate the ω phase in water quenched Ti-5553 alloy with a nominal composition of Ti–5Al–5V–5Mo–3Cr (wt.%), and the ω and the β phase were distinguished by deconvoluting the XPS spectra of Al2p, V2p and Cr2p core level regions. In addition, it is found that the binding energy of core level electron of alloying elements shifts comparing with that of pure metals, and the fact was interpreted by charge redistribution model. X-ray photoelectron spectroscopy technique could be used to characterize the nano-scale ω phase in β alloys. - Highlights: ► We characterize the ω phase in Ti-5553 alloy by XPS. ► Binding energy of Al2p, V2p and Cr2p electron are different in the ω and β phase. ► Structural difference leads to the binding energy gap.

  14. FTIR spectroscopy and X-ray powder diffraction characterization of microcrystalline cellulose obtained from alfa fibers

    Directory of Open Access Journals (Sweden)

    Trache D.

    2013-07-01

    Full Text Available Many cereal straws have been used as raw materials for the preparation of microcrystalline cellulose (MCC. These raw materials were gradually replaced with wood products; nevertheless about 10% of the world overall pulp production is obtained from non-wood raw material. The main interest in pulp made from straw is that it provides excellent fibres for different industries with special properties, and that it is the major available source of fibrous raw material in some geographical areas. The aim of the present work was to characterize microcrystalline cellulose prepared from alfa fibers using the hydrolysis process. The products obtained are characterized with FTIR spectroscopy and X-ray powder diffraction. As a result, FTIR spectroscopy is an appropriate technique for studying changes occurred by any chemical treatment. The spectrum of alfa grass stems shows the presence of lignin and hemicelluloses. However, the cellulose spectrum indicates that the extraction of lignin and hemicellulose was effective. The X-ray analysis indicates that the microcrystalline cellulose is more crystalline than the source material.

  15. Recent Advances in the Characterization of Gaseous and Liquid Fuels by Vibrational Spectroscopy

    Directory of Open Access Journals (Sweden)

    Johannes Kiefer

    2015-04-01

    Full Text Available Most commercial gaseous and liquid fuels are mixtures of multiple chemical compounds. In recent years, these mixtures became even more complicated when the suppliers started to admix biofuels into the petrochemical basic fuels. As the properties of such mixtures can vary with composition, there is a need for reliable analytical technologies in order to ensure stable operation of devices such as internal combustion engines and gas turbines. Vibrational spectroscopic methods have proved their suitability for fuel characterization. Moreover, they have the potential to overcome existing limitations of established technologies, because they are fast and accurate, and they do not require sampling; hence they can be deployed as inline sensors. This article reviews the recent advances of vibrational spectroscopy in terms of infrared absorption (IR and Raman spectroscopy in the context of fuel characterization. The focus of the paper lies on gaseous and liquid fuels, which are dominant in the transportation sector and in the distributed generation of power. On top of an introduction to the physical principles and review of the literature, the techniques are critically discussed and compared with each other.

  16. Characterization of hard coatings produced by laser cladding using laser-induced breakdown spectroscopy technique

    Energy Technology Data Exchange (ETDEWEB)

    Varela, J.A.; Amado, J.M.; Tobar, M.J.; Mateo, M.P.; Yañez, A.; Nicolas, G., E-mail: gines@udc.es

    2015-05-01

    Highlights: • Chemical mapping and profiling by laser-induced breakdown spectroscopy (LIBS) of coatings produced by laser cladding. • Production of laser clads using tungsten carbide (WC) and nickel based matrix (NiCrBSi) powders. • Calibration by LIBS of hardfacing alloys with different WC concentrations. - Abstract: Protective coatings with a high abrasive wear resistance can be obtained from powders by laser cladding technique, in order to extend the service life of some industrial components. In this work, laser clad layers of self-fluxing NiCrBSi alloy powder mixed with WC powder have been produced on stainless steel substrates of austenitic type (AISI 304) in a first step and then chemically characterized by laser-induced breakdown spectroscopy (LIBS) technique. With the suitable laser processing parameters (mainly output power, beam scan speed and flow rate) and powders mixture proportions between WC ceramics and NiCrBSi alloys, dense pore free layers have been obtained on single tracks and on large areas with overlapped tracks. The results achieved by LIBS technique and applied for the first time to the analysis of laser clads provided the chemical composition of the tungsten carbides in metal alloy matrix. Different measurement modes (multiple point analyses, depth profiles and chemical maps) have been employed, demonstrating the usefulness of LIBS technique for the characterization of laser clads based on hardfacing alloys. The behavior of hardness can be explained by LIBS maps which evidenced the partial dilution of some WC spheres in the coating.

  17. Characterization of Crystal Chirality in Amino Acids Using Low-Frequency Raman Spectroscopy.

    Science.gov (United States)

    Aviv, Hagit; Nemtsov, Irena; Mastai, Yitzhak; Tischler, Yaakov R

    2017-10-19

    We present a new method for differentiating racemic crystals from enantiopure crystals. Recently, developments in optical filters have enabled the facile use of Raman spectroscopy to detect low-frequency vibrational (LFV) modes. Here, for the first time, we use Raman spectroscopy to characterize the LFV modes for crystalline organic materials composed of chiral molecules. The LF-Raman spectra of racemic and enantiopure crystals exhibit a significant variation, which we attribute to different hydrogen-bond networks in the chiral crystal structures. Across a representative set of amino acids, we observed that when comparing racemic versus enantiopure crystals, the available LFV modes and their relative scattering intensity are strong functions of side chain polarity. Thus, LF-Raman can be used as a method that is complementary to the currently used methods for characterizing crystal chirality due to simpler, faster, and more sensitive measurements, along with the small sample size required, which is limited by the laser-beam diameter in the focus.

  18. Chlorococcalean microalgae Ankistrodesmus convolutes biodiesel characterization with Fourier transform-infrared spectroscopy and gas chromatography mass spectroscopy techniques

    Directory of Open Access Journals (Sweden)

    Swati SONAWANE

    2015-12-01

    Full Text Available The Chlorococcalean microalgae Ankistrodesmus convolutes was found in fresh water Godawari reservoir, Ahmednagar district of Maharashtra State, India. Microalgae are modern biomass for the production of liquid biofuel due to its high solar cultivation efficiency. The collection, harvesting and drying processes were play vital role in converting algal biomass into energy liquid fuel. The oil extraction was the important step for the biodiesel synthesis. The fatty acid methyl ester (FAME synthesis was carried through base catalyzed transesterification method. The product was analyzed by using the hyphened techniques like Fourier Transform-Infrared spectroscopy (FT-IR and Gas Chromatography Mass Spectroscopy (GCMS. FT-IR Spectroscopy was results the ester as functional group of obtained product while the Gas Chromatography Mass Spectroscopy was results the six type of fatty acid methyl ester with different concentration. Ankistrodesmus convolutes biodiesel consist of 46.5% saturated and 49.14% unsaturated FAME.

  19. Colorimetry and photoacoustic spectroscopy as suitable tools for direct determination of cocoa powder in confectionary products

    NARCIS (Netherlands)

    Doka, O.; Pragai, E.; Bicanic, D.D.; Kulcsar, R.

    2013-01-01

    Laser photoacoustic spectroscopy (PAS) and colorimetry have been used to rapidly and accurately determine the content of fat-free cocoa solids in dark chocolates. Both techniques are inexpensive and require only a one-time calibration step versus a method capable of absolute concentration

  20. Raman Spectroscopy as a Promising Tool for Noninvasive Point-of-Care Glucose Monitoring

    NARCIS (Netherlands)

    Scholtes-Timmerman, M.J.; Bijlsma, S.; Fokkert, M.J.; Slingerland, R.; Veen, S.J.F. van

    2014-01-01

    Self-monitoring of glucose is important for managing diabetes. Noninvasive glucose monitors are not yet available, but patients would benefit highly from such a device. We present results that may lead to a novel, point-of-care noninvasive system to measure blood glucose based on Raman spectroscopy.

  1. Standardizing Exoplanet Analysis with the Exoplanet Characterization Tool Kit (ExoCTK)

    Science.gov (United States)

    Fowler, Julia; Stevenson, Kevin B.; Lewis, Nikole K.; Fraine, Jonathan D.; Pueyo, Laurent; Bruno, Giovanni; Filippazzo, Joe; Hill, Matthew; Batalha, Natasha; Wakeford, Hannah; Bushra, Rafia

    2018-06-01

    Exoplanet characterization depends critically on analysis tools, models, and spectral libraries that are constantly under development and have no single source nor sense of unified style or methods. The complexity of spectroscopic analysis and initial time commitment required to become competitive is prohibitive to new researchers entering the field, as well as a remaining obstacle for established groups hoping to contribute in a comparable manner to their peers. As a solution, we are developing an open-source, modular data analysis package in Python and a publicly facing web interface including tools that address atmospheric characterization, transit observation planning with JWST, JWST corongraphy simulations, limb darkening, forward modeling, and data reduction, as well as libraries of stellar, planet, and opacity models. The foundation of these software tools and libraries exist within pockets of the exoplanet community, but our project will gather these seedling tools and grow a robust, uniform, and well-maintained exoplanet characterization toolkit.

  2. Applications of the Raman spectroscopy in the materials characterization; Aplicaciones de la espectroscopia Raman en la caracterizacion de materiales

    Energy Technology Data Exchange (ETDEWEB)

    Jimenez S, S. (ed.) [IPN, Centro de Investigacion y de Estudios Avanzados, Unidad Queretaro, Libramiento Norponiente No. 2000, Fracc. Real de Juriquilla, 76230 Queretaro (Mexico); Escobar A, L. (ed.) [ININ, Carretera Mexico-Toluca s/n, 52750 Ocoyoacac, Estado de Mexico (Mexico); Camacho L, M. A. (ed.) [Universidad Autonoma del Estado de Mexico, Instituto Literario No. 100, Col. Centro, 50000 Toluca, Estado de Mexico (Mexico)

    2011-07-01

    The study field of the science and technology of surfaces and materials have been of primordial importance in the last years due to the impact that they have the knowledge that it generates in diverse areas. For this reason, the Mexican Society of Science and Technology of Surfaces and Materials has focused a good part of their investigation activities toward the materials science and technology development. Inside the investigation fields carried out by members of this Society, are the following: semiconductors, thin films, hard coatings, deposit techniques, plasmas, biomaterials, Ab-initio calculations, characterization techniques, photo-thermal properties, solar cells, nano science, magnetism, superconductivity and related topics. Among the techniques used for this purpose is the Raman Spectroscopy (Rs), which has demonstrated to be a powerful and versatile tool in the materials study. In the last three congresses that the Society has organized, an average of 42 works related with this topic have been presented, what gave the rule to prepare this book whose objective is on one hand diffusing part of the works that carry out different groups integrated with members of the Society that use the Rs like an important tool in its investigation work. A second objective is that it can serve like support to the students that begin to be involved, or that they are already involved, in topics where the Rs can have a decisive paper in the development of its projects. It is also expected that some of the topics included in the book are of utility for professors and researches that already uses the Rs, or that it can be of help for those who are beginning in this technique as alternative or like complementary analysis tool. (Author)

  3. Characterization system for Germanium detectors dedicated to gamma spectroscopy applied to nuclear waste

    Energy Technology Data Exchange (ETDEWEB)

    Roccaz, J.; Portella, C.; Saurel, N. [CEA, DAM, VALDUC, F-21120 Is-sur-Tille (France)

    2009-07-01

    CEA-Valduc produces some radioactive waste (mainly alpha emitters). Legislation requires producers to sort their waste by activity and type of isotopes, and to package them in order to forward them to the appropriate reprocessing or storage facility. Our lab LMDE (laboratory for measurements on nuclear wastes and valuation) is in charge of the characterization of the majority of waste produced by CEA-Valduc. Among non-destructive methods to characterize a radioactive object, gamma-spectroscopy is one of the most efficient. We present to this conference the method we use to characterize nuclear waste and the system we developed to characterize our germanium detectors. The goal of this system is to obtain reliable numerical models of our detectors and calculate their efficiency curves. Measurements are necessary to checks models and improve them. These measurements are made on a bench using pinpoint sources ({sup 133}Ba, {sup 152}Eu) from 60 keV to 1500 keV, with distances from 'on contact' to a few meters from the diode and variable angles between the source and the detector axis. We have demonstrated that we are able to obtain efficiency curves

  4. TXRF as a tool in complex particle characterization

    International Nuclear Information System (INIS)

    Hoffmann, P.; Ortner, H.M.; Ebert, M.; Weinbruch, S.; Helas, G.

    2000-01-01

    Aerosol particles play an important role, e.g., for the formation of clouds, the radiation balance in the atmosphere, for the input of trace metals into the hydrosphere, geosphere, and biosphere. To obtain a more detailed picture of the composition (elements, compounds) of aerosols TXRF was applied for an elemental bulk determination and HRSEM for the characterization of individual particles. The aerosol was sampled in field experiments (NORDEX'96, LACE'98) by a 5-stage impactor on glassy carbon carriers. At first a qualitative analysis was performed by TXRF (Seifert Spectrace I: Z = 20-82; self-constructed instrument: Z = 8-23), secondly some thousands individual particles were studied by HRSEM (Philips XL 30 FEG), and finally all samples were measured again and evaluated quantitatively by TXRF after adding an internal standard solution. As a result nearly all particles (92-98 %) were associated to one of twelve groups: sea salt, aged sea salt, mixture of sea salt and alumosilicates, alumosilicates, Si-rich (quartz), metal oxides (Fe, Mn, Al, Ti, Pb), ammonium sulfate, calcium sulfate, soot, biological material, mixture of carbon and sulfate, and other carbon-dominated particles. A principal component analysis shows additionally the marine and continental character of all particles. The distribution of the twelve groups in the samples gives the possibility: to recognize the source apportionment and the routes (trajectories) of air parcels, to separate the natural and anthropogenic sources, and to calculate the real (scattering) and the imaginary (absorption) part of the refractive index of an aerosol. A comparison of the chemical composition of the aerosol with optical measurements (given in the literature) shows an increase of the absorption and scattering coefficients with the anthopogenic load of the atmosphere. (author)

  5. Raman spectroscopy for the microbiological characterization and identification of medically relevant bacteria

    Science.gov (United States)

    Hamasha, Khozima Mahmoud

    The detection and identification of pathogenic bacteria has become more important than ever due to the increase of potential bioterrorism threats and the high mortality rate of bacterial infections worldwide. Raman spectroscopy has recently gained popularity as an attractive robust approach for the molecular characterization, rapid identification, and accurate classification of a wide range of bacteria. In this dissertation, Raman spectroscopy utilizing advanced statistical techniques was used to identify and discriminate between different pathogenic and non-pathogenic bacterial strains of E. coli and Staphylococcus aureus bacterial species by probing the molecular compositions of the cells. The five-carbon sugar xylitol, which cannot be metabolized by the oral and nasopharyngeal bacteria, had been recognized by clinicians as a preventive agents for dental caries and many studies have demonstrated that xylitol causes a reduction in otitis media (chronic inner ear infections) and other nasopharyngeal infections. Raman spectroscopy was used to characterize the uptake and metabolic activity of xylitol in pathogenic (viridans group Streptococcus) and nonpathogenic (E. coli) bacteria by taking their Raman spectra before xylitol exposure and after growing with xylitol and quantifying the significant differences in the molecular vibrational modes due to this exposure. The results of this study showed significant stable spectral changes in the S. viridians bacteria induced by xylitol and those changes were not the same as in some E. coli strains. Finally, Raman spectroscopy experiments were conducted to provide important information about the function of a certain protein (wag31) of Mycobacterium tuberculosis using a relative non-pathogenic bacterium called Mycobacterium smegmatis. Raman spectra of conditional mutants of bacteria expressing three different phosphorylation forms of wag31 were collected and analyzed. The results show that that the phosphorylation of wag31

  6. Characterization of lipid oxidation process of beef during repeated freeze-thaw by electron spin resonance technology and Raman spectroscopy.

    Science.gov (United States)

    Chen, Qingmin; Xie, Yunfei; Xi, Jinzhong; Guo, Yahui; Qian, He; Cheng, Yuliang; Chen, Yi; Yao, Weirong

    2018-03-15

    In this study, electron spin resonance (ESR) and Raman spectroscopy were applied to characterize lipid oxidation of beef during repeated freeze-thaw (RFT). Besides the conventional indexes including peroxide values (PV), thiobarbituric acid-reactive substances (TBARS) and acid values (AV) were evaluated, the radical and molecular structure changes were also measured by ESR and Raman spectroscopy. The results showed that PV, TBARS and AV were increased (PRaman intensity of ν(CC) stretching region (1655cm -1 ) was decreased during RFT. Furthermore, lower Raman intensity ratio of I 1655 /I 1442 , I 1655 /I 1745 that determine total unsaturation was also observed. Significant correlations (pRaman spectroscopy. Our result has proved that ESR and Raman spectroscopy showed great potential in characterizing lipid oxidation process of beef during RFT. Copyright © 2017 Elsevier Ltd. All rights reserved.

  7. Application of the Raman spectroscopy for the characterization of organic pesticides

    International Nuclear Information System (INIS)

    Sato B, R.Y.; Medina G, C.; Medina V, J.; Frausto R, C.

    2004-01-01

    Raman spectra of organophosphate, organo chlorine and bipyridyl pesticides are presented in this study. They have been obtained satisfactorily by the NlR-Raman spectroscopy technique. Pesticides have been analyzed in solution or as a solid in glass containers and on aluminum substrates. This analytic technique can be an alternative tool for the detection of pesticides in the agriculture, presenting advantages as be quick, not destructive and require little or no sample preparation. Moreover, samples can be analyzed through transparent containers avoiding contact with the toxic substances. The implementation of the aluminium substrate is easy and practical. Moreover, it is commercially available and does not need a previous preparation. The analysis of a mixture of two pesticides in a β carotene solution is shown. (Author) 25 refs., 8 figs

  8. Characterization of the electronic structure of C50Cl10 by means of soft x-ray spectroscopies

    International Nuclear Information System (INIS)

    Brena, Barbara; Luo Yi

    2005-01-01

    The electronic structure of the last synthesized fullerene molecule, the C 50 Cl 10 , has been characterized by theoretical simulation of x-ray photoelectron spectroscopy, ultraviolet photoelectron spectroscopy, and near-edge x-ray-absorption fine structure. All the calculations were performed at the gradient-corrected and hybrid density-functional theory levels. The combination of these techniques provides detailed information about the valence band and the unoccupied molecular orbitals, as well as about the carbon core orbitals

  9. Raman Spectroscopy Provides a Powerful Diagnostic Tool for Accurate Determination of Albumin Glycation

    OpenAIRE

    Dingari, Narahara Chari; Kang, Jeon Woong; Dasari, Ramachandra R.; Barman, Ishan; Horowitz, Gary Leigh

    2012-01-01

    We present the first demonstration of glycated albumin detection and quantification using Raman spectroscopy without the addition of reagents. Glycated albumin is an important marker for monitoring the long-term glycemic history of diabetics, especially as its concentrations, in contrast to glycated hemoglobin levels, are unaffected by changes in erythrocyte life times. Clinically, glycated albumin concentrations show a strong correlation with the development of serious diabetes complications...

  10. Structural Characterization of Laboratory Made Tholins by IRMPD Action Spectroscopy and Ultrahigh Resolution Mass Spectrometry

    Science.gov (United States)

    Thissen, R.; Somogyi, A.; Vuitton, V.; Bégué, D.; Lemaire, J.; Steinmetz, V.

    2011-10-01

    The complex organic material that is found on the surface and within the haze layer of Titan is attributed to chemistry occurring in its thick N2/CH4 atmosphere. Although several groups are producing in various laboratory setting the socalled tholins which have been investigated by using analytical methods including UV/Vis, fluorescence, IR, and MS1-5, these very complex organic mixtures still hold many unanswered questions, especially related to the potentiality for their prebiotic chemistry. In addition to tholins characterization and analysis, we recently investigated quantitatively the hydrolysis kinetics of tholins in pure and NH3 containing water at different temperatures.7-8 Our groups at UJF (Grenoble) and at U of Arizona (Tucson) have been collaborating on mass spectral analyses of tholins samples for several years.9 Here, we report our most recent results on the structural characterization of tholins by infrared multiphoton dissociation (IRMPD) action spectroscopy10 and ultrahigh resolution MS. IRMPD action spectroscopy is a recently developed technique that uses IR photons of variable wavelengths to activate ions trapped inside an ion trap. When photons are absorbed at a given wavelength, the selected ion fragments and this fragmentation is monitored as a function of wavelength, analog to an absorption spectrum (impossible to record otherwise because of the much reduced density). This technique can, therefore, be used to determine IR spectra of ions in the gas phase, and provides with very acute structural information. IRMPD action spectroscopy is often used to distinguish between structural isomers of isobaric ions. The drawback is that it requests for high power lasers. Only two Free Electron Lasers (FEL) are available in the world and allow to record spectra with reasonable resolution (20-25 cm-1). IRMPD action spectra of selected ions from tholins will be presented and discussed together with observed fragmentation processes that reveal structural

  11. Multimodal fiber-probe spectroscopy as a clinical tool for diagnosing and classifying biological tissues

    Science.gov (United States)

    Cicchi, Riccardo; Anand, Suresh; Fantechi, Riccardo; Giordano, Flavio; Gacci, Mauro; Conti, Valerio; Nesi, Gabriella; Buccoliero, Anna Maria; Carini, Marco; Guerrini, Renzo; Pavone, Francesco Saverio

    2017-07-01

    An optical fiber probe for multimodal spectroscopy was designed, developed and used for tissue diagnostics. The probe, based on a fiber bundle with optical fibers of various size and properties, allows performing spectroscopic measurements with different techniques, including fluorescence, Raman, and diffuse reflectance, using the same probe. Two visible laser diodes were used for fluorescence spectroscopy, a laser diode emitting in the NIR was used for Raman spectroscopy, and a fiber-coupled halogen lamp for diffuse reflectance. The developed probe was successfully employed for diagnostic purposes on various tissues, including brain and bladder. In particular, the device allowed discriminating healthy tissue from both tumor and dysplastic tissue as well as to perform tumor grading. The diagnostic capabilities of the method, determined using a cross-validation method with a leave-one-out approach, demonstrated high sensitivity and specificity for all the examined samples, as well as a good agreement with histopathological examination performed on the same samples. The obtained results demonstrated that the multimodal approach is crucial for improving diagnostic capabilities with respect to what can be obtained from individual techniques. The experimental setup presented here can improve diagnostic capabilities on a broad range of tissues and has the potential of being used clinically for guiding surgical resection in the near future.

  12. Vibrational spectroscopy: a tool being developed for the noninvasive monitoring of wound healing

    Science.gov (United States)

    Crane, Nicole J.; Elster, Eric A.

    2012-01-01

    Wound care and management accounted for over 1.8 million hospital discharges in 2009. The complex nature of wound physiology involves hundreds of overlapping processes that we have only begun to understand over the past three decades. The management of wounds remains a significant challenge for inexperienced clinicians. The ensuing inflammatory response ultimately dictates the pace of wound healing and tissue regeneration. Consequently, the eventual timing of wound closure or definitive coverage is often subjective. Some wounds fail to close, or dehisce, despite the use and application of novel wound-specific treatment modalities. An understanding of the molecular environment of acute and chronic wounds throughout the wound-healing process can provide valuable insight into the mechanisms associated with the patient's outcome. Pathologic alterations of wounds are accompanied by fundamental changes in the molecular environment that can be analyzed by vibrational spectroscopy. Vibrational spectroscopy, specifically Raman and Fourier transform infrared spectroscopy, offers the capability to accurately detect and identify the various molecules that compose the extracellular matrix during wound healing in their native state. The identified changes might provide the objective markers of wound healing, which can then be integrated with clinical characteristics to guide the management of wounds.

  13. Characterization and discrimination of human breast cancer and normal breast tissues using resonance Raman spectroscopy

    Science.gov (United States)

    Wu, Binlin; Smith, Jason; Zhang, Lin; Gao, Xin; Alfano, Robert R.

    2018-02-01

    Worldwide breast cancer incidence has increased by more than twenty percent in the past decade. It is also known that in that time, mortality due to the affliction has increased by fourteen percent. Using optical-based diagnostic techniques, such as Raman spectroscopy, has been explored in order to increase diagnostic accuracy in a more objective way along with significantly decreasing diagnostic wait-times. In this study, Raman spectroscopy with 532-nm excitation was used in order to incite resonance effects to enhance Stokes Raman scattering from unique biomolecular vibrational modes. Seventy-two Raman spectra (41 cancerous, 31 normal) were collected from nine breast tissue samples by performing a ten-spectra average using a 500-ms acquisition time at each acquisition location. The raw spectral data was subsequently prepared for analysis with background correction and normalization. The spectral data in the Raman Shift range of 750- 2000 cm-1 was used for analysis since the detector has highest sensitivity around in this range. The matrix decomposition technique nonnegative matrix factorization (NMF) was then performed on this processed data. The resulting leave-oneout cross-validation using two selective feature components resulted in sensitivity, specificity and accuracy of 92.6%, 100% and 96.0% respectively. The performance of NMF was also compared to that using principal component analysis (PCA), and NMF was shown be to be superior to PCA in this study. This study shows that coupling the resonance Raman spectroscopy technique with subsequent NMF decomposition method shows potential for high characterization accuracy in breast cancer detection.

  14. Characterization of human breast disease using phosphorus magnetic resonance spectroscopy and proton magnetic resonance imaging

    International Nuclear Information System (INIS)

    Merchant, T.E.

    1992-01-01

    This thesis provides the fundamental characterization and differentiation of breast tissues using in vivo and ex vivo MR techniques in the hope that these techniques and experimental findings will be used on a larger scale and in a predictive manner in order to improve the specificity of diagnosis and treatment of breast cancer. In this dissertation, clinical studies were performed using proton magnetic resonance imaging and phosphorus magnetic resonance spectro-scopy ( 31 P MRS) to characterize and differentiate malignant breast tumors, benign breast tumors and normal breast tissues in vivo. These studies were carried out following the methodical characterization of chemical extracts of malignant breast tumor, benign breast tumor and normal breast parenchymal surgical tissue specimens using high resolution 31 P MRS. Alterations in breast tissue metabolism, as a result of pathological processes, were postulated to be responsible for measurable differences between malignant breast tumors, benign breast tumors and normal breast tissues using magnetic resonance techniques. (author). 365 refs.; 37 figs.; 25 tabs

  15. Prediction of the wear and evolution of cutting tools in a carbide / titanium-aluminum-vanadium machining tribosystem by volumetric tool wear characterization and modeling

    Science.gov (United States)

    Kuttolamadom, Mathew Abraham

    The objective of this research work is to create a comprehensive microstructural wear mechanism-based predictive model of tool wear in the tungsten carbide / Ti-6Al-4V machining tribosystem, and to develop a new topology characterization method for worn cutting tools in order to validate the model predictions. This is accomplished by blending first principle wear mechanism models using a weighting scheme derived from scanning electron microscopy (SEM) imaging and energy dispersive x-ray spectroscopy (EDS) analysis of tools worn under different operational conditions. In addition, the topology of worn tools is characterized through scanning by white light interferometry (WLI), and then application of an algorithm to stitch and solidify data sets to calculate the volume of the tool worn away. The methodology was to first combine and weight dominant microstructural wear mechanism models, to be able to effectively predict the tool volume worn away. Then, by developing a new metrology method for accurately quantifying the bulk-3D wear, the model-predicted wear was validated against worn tool volumes obtained from corresponding machining experiments. On analyzing worn crater faces using SEM/EDS, adhesion was found dominant at lower surface speeds, while dissolution wear dominated with increasing speeds -- this is in conformance with the lower relative surface speed requirement for micro welds to form and rupture, essentially defining the mechanical load limit of the tool material. It also conforms to the known dominance of high temperature-controlled wear mechanisms with increasing surface speed, which is known to exponentially increase temperatures especially when machining Ti-6Al-4V due to its low thermal conductivity. Thus, straight tungsten carbide wear when machining Ti-6Al-4V is mechanically-driven at low surface speeds and thermally-driven at high surface speeds. Further, at high surface speeds, craters were formed due to carbon diffusing to the tool surface and

  16. Characterizing free volumes and layer structures in polymeric membranes using slow positron annihilation spectroscopy

    International Nuclear Information System (INIS)

    Jean, Y C; Chen Hongmin; Awad, Somia; Zhang Sui; Chen Hangzheng; Lau, Cher Hon; Wang Huan; Li Fuyun; Chung, Tai-Shung; Lee, L James; Huang, James

    2011-01-01

    Positron annihilation spectroscopy coupled with a newly built slow positron beam at National University of Singapore has been used to study the free volume, pore, and depth profile (0 - 10 μm) in cellulose acetate polymeric membrane at the bottom and top sides of membranes for ionic separation in water purification applications. The S and R parameters from Doppler broadening energy of annihilation radiation representing free volumes (0.1-1 nm size) and pores (>1 nm-μm) as a function of depth have been analyzed into multilayers, i.e. skin dense, transition, and porous layers, respectively. The top side of membrane has large free volumes and pores and the bottom side has a skin dense layer, which plays a key role in membrane performance. Positron annihilation lifetime results provide additional information about free-volume size and distribution at the atomic and molecular scale in polymeric membrane systems. Doppler broadening energy and lifetime spectroscopies coupled with a variable mono-energy slow positron beam are sensitive and novel techniques for characterization of polymeric membrane in separation applications.

  17. Characterization of the Roraima savanna across of X-ray diffraction, thermomagnetic analysis and Moessbauer spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Gilmar A.; Araujo, R.C.; Sergio, C.S. [Universidade Federal de Roraima (UFRR), Boa Vista, RR (Brazil)

    2012-07-01

    Full text: The technique of X-ray diffraction has great resolving power to determine the phases present in crystalline material, thereby enabling it to determine the elements present in the materials as well as changes in structure that they can suffer when subjected to various physical processes and/or chemical means. The research had as objective to characterize the mineralogy of iron oxides, silicon, aluminum and other minerals in the soil of five points of the Roraima savannah. The points where samples were collected are five municipalities in the state of Roraima. The area of sampling is part of the savanna in Roraima. The samples were collected. We analyzed samples from five points from the collection of natural soil in the locations listed. The samples were placed in a mill to a uniform grain size. After the milling process, the magnetic material was separated using a permanent magnet. Then the samples were analyzed by x-ray diffraction, thermomagnetic analysis and Moessbauer spectroscopy. Preliminary results of XRD showed the occurrence of phases of oxides of iron, silicon, aluminum and other phases less. Thermomagnetic analysis show that the magnetic phases are magnetite and hematite. The results of the Moessbauer spectroscopy indicates the reliability in the two prior art and confirmed the presence of the phases of oxides of iron present in the soil analyzed. (author)

  18. Moessbauer Spectroscopy in the Characterization of waste product used like fertilizer in soil. Some Applications

    International Nuclear Information System (INIS)

    Furet, N. R.; Orihuela, D. L.; Hernandez

    2007-01-01

    At the present time, the use of industrial solid wastes is an important task, because a great effort that have been carried out to preserve the environmental and to obtain the high technologies. In this work, a characterization of a industrial waste product, on base of the monohydrous iron sulphate (FeSO 4 .1H 2 O) with a 15% approximately of free sulphuric acid, used like improvement of soil was carried out by Mossabuer spectroscopy. This waste product was used in a series of the experiences in parcels (where peaches, (Prunus persica), strawberries are cultivated) in the zone of Cartaya (Huelva, Spain). The characterisation of soil from the parcel before application of this product was carried out in order to analyse and compare with the final results by using the methods of the Moessbauer spectroscopy. High contents of Fe, S, and Zn at the studied product are observed . This elements are very important for plants. The pH in soil and Fe, Mn, and Zn contents in soil and leaf were determined. The knowledge of the main chemical-structural properties of this product, used like improvement of soil, will permit the study of the influence to) on the soil properly, b) on the peach leaves and c) on the foodstuff fruit. (Author)

  19. Optical properties and extinction spectroscopy to characterize the synthesis of amine capped silver nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Roldan, Maria Virginia [Laboratorio de Materiales Ceramicos, FCEIyA, IFIR, UNR, Rosario (Argentina)], E-mail: vroldan@fceia.unr.edu.ar; Scaffardi, Lucia B. [CIOp - CONICET, CIC, c.c. 124, 1900 La Plata (Argentina) and Area Departamental de Ciencias Basicas, Facultad de Ingenieria, Universidad Nacional de La Plata, La Plata (Argentina); Sanctis, Oscar de [Laboratorio de Materiales Ceramicos, FCEIyA, IFIR, UNR, Rosario (Argentina); Pellegri, Nora [Laboratorio de Materiales Ceramicos, FCEIyA, IFIR, UNR, Rosario (Argentina)], E-mail: pellegri@fceia.unr.edu.ar

    2008-12-20

    The present work describes a method for preparation of Ag nanoparticles from chemical reduction of AgNO{sub 3} in ethanol with ATS [N-[3-(trimethoxysilyl)propyl] diethylenetriamine] as surface modifier. We study the influence of different parameters such as concentration, time, temperature and reductor agents on the size and shape of the nanoparticles. We present the morphologic and structural characterization of samples by UV-vis extinction spectroscopy, Atomic Force Microscopy (AFM) and X-ray diffraction (XRD). Particularly, using optical extinction spectroscopy, the present work shows the analysis of size evolution in the fabrication process of spherical silver nanoparticles. This evolution is studied as a function of the time elapsed between the beginning of the reaction and the extraction of the sample (temporal delayed synthesis), and as a function of the temperature during the chemical reaction. In both the cases, we propose the study of the plasmon width as a useful, simple and inexpensive method for analysis of the mean radius, specially, for values below 6 nm.

  20. Optical properties and extinction spectroscopy to characterize the synthesis of amine capped silver nanoparticles

    International Nuclear Information System (INIS)

    Roldan, Maria Virginia; Scaffardi, Lucia B.; Sanctis, Oscar de; Pellegri, Nora

    2008-01-01

    The present work describes a method for preparation of Ag nanoparticles from chemical reduction of AgNO 3 in ethanol with ATS [N-[3-(trimethoxysilyl)propyl] diethylenetriamine] as surface modifier. We study the influence of different parameters such as concentration, time, temperature and reductor agents on the size and shape of the nanoparticles. We present the morphologic and structural characterization of samples by UV-vis extinction spectroscopy, Atomic Force Microscopy (AFM) and X-ray diffraction (XRD). Particularly, using optical extinction spectroscopy, the present work shows the analysis of size evolution in the fabrication process of spherical silver nanoparticles. This evolution is studied as a function of the time elapsed between the beginning of the reaction and the extraction of the sample (temporal delayed synthesis), and as a function of the temperature during the chemical reaction. In both the cases, we propose the study of the plasmon width as a useful, simple and inexpensive method for analysis of the mean radius, specially, for values below 6 nm

  1. Detection Limits of DLS and UV-Vis Spectroscopy in Characterization of Polydisperse Nanoparticles Colloids

    Directory of Open Access Journals (Sweden)

    Emilia Tomaszewska

    2013-01-01

    Full Text Available Dynamic light scattering is a method that depends on the interaction of light with particles. This method can be used for measurements of narrow particle size distributions especially in the range of 2–500 nm. Sample polydispersity can distort the results, and we could not see the real populations of particles because big particles presented in the sample can screen smaller ones. Although the theory and mathematical basics of DLS technique are already well known, little has been done to determine its limits experimentally. The size and size distribution of artificially prepared polydisperse silver nanoparticles (NPs colloids were studied using dynamic light scattering (DLS and ultraviolet-visible (UV-Vis spectroscopy. Polydisperse colloids were prepared based on the mixture of chemically synthesized monodisperse colloids well characterized by atomic force microscopy (AFM, transmission electron microscopy (TEM, DLS, and UV-Vis spectroscopy. Analysis of the DLS results obtained for polydisperse colloids reveals that several percent of the volume content of bigger NPs could screen completely the presence of smaller ones. The presented results could be extremely important from nanoparticles metrology point of view and should help to understand experimental data especially for the one who works with DLS and/or UV-Vis only.

  2. Characterization of the Pore Filling of Solid State Dye Sensitized Solar Cells with Photoinduced Absorption Spectroscopy

    Directory of Open Access Journals (Sweden)

    Carol Olson

    2011-01-01

    Full Text Available Near steady-state photoinduced absorption (PIA and UV-Vis absorption spectroscopy are used to characterize the pore filling of spiro-MeOTAD (2,2′,7,7′-tetrakis-(N,N-di-p-methoxyphenylamine9,9′-spirobifluorene into the nanoparticulate TiO2 electrode of a solid-state dye-sensitized solar cell (ssDSC. The volumetric ratio of filled to unfilled pore volumes, as well as the optical signature of interacting chemical species, that is, the hole-transfer yield (HTY, are investigated. PIA spectroscopy is used to measure the HTY, relative to the amount of spiro-MeOTAD present, without needing to determine the extinction coefficients of the dye and spiro-MeOTAD cation species. The Beer-Lambert law is used to relate the relative PIA signal to the penetration length of the hole-conductor in the TiO2 film. For the sample thickness range of 1.4–5 μm investigated here, the optimum characteristic penetration length is determined to be 3.1+0.46 μm, which is compared to 1.4 μm for the 200 mg mL−1 concentration of spiro-MeOTAD conventionally used. Therefore, doubling the effective penetration of spiro-MeOTAD is necessary to functionalize all the dye molecules in a ssDSC.

  3. High-resolution Raman Spectroscopy for the Nanostructural Characterization of Explosive Nanodiamond Precursors.

    Science.gov (United States)

    Deckert-Gaudig, Tanja; Pichot, Vincent; Spitzer, Denis; Deckert, Volker

    2017-01-18

    The specific attributes of nanodiamonds have attracted increasing interest for electronics or biomedical applications. An efficient synthetic route towards nanodiamonds is via detonation of hexolite (i.e. a mixture of TNT [2,4,6-trinitrotoluene] and RDX [1,3,5-trinitro-1,3,5-triazine]). In particular, detonation of hexolite crystallized by spray flash evaporation (SFE) yields extremely small diamonds (<4 nm). To unravel the detonation mechanism, a structural characterization of the explosives is required but is challenging due to their thermal instability. We demonstrate a combination of conventional Raman spectroscopy and tip-enhanced Raman spectroscopy (TERS) for resolving morphological and structural differences of differently prepared hexolite nanocomposites. The experiments allow for the first time a structural differentiation of individual TNT and RDX crystals and 15-20 nm sized core-shell structures, consequently providing a general approach to investigate the actual composition of mixtures on the nanometer scale. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. X-ray diffraction, IR spectroscopy and thermal characterization of partially hydrolyzed guar gum.

    Science.gov (United States)

    Mudgil, Deepak; Barak, Sheweta; Khatkar, B S

    2012-05-01

    Guar gum was hydrolyzed using cellulase from Aspergillus niger at 5.6 pH and 50°C temperature. Hydrolyzed guar gum sample was characterized using Fourier transform infrared spectroscopy, differential scanning calorimetry, thermogravimetric analysis, X-ray diffraction, dilute solution viscometry and rotational viscometry. Viscometry analysis of native guar gum showed a molecular weight of 889742.06, whereas, after enzymatic hydrolysis, the resultant product had a molecular weight of 7936.5. IR spectral analysis suggests that after enzymatic hydrolysis of guar gum there was no major transformation of functional group. Thermal analysis revealed no major change in thermal behavior of hydrolyzed guar gum. It was shown that partial hydrolysis of guar gum could be achieved by inexpensive and food grade cellulase (Aspergillus niger) having commercial importance and utilization as a functional soluble dietary fiber for food industry. Copyright © 2012 Elsevier B.V. All rights reserved.

  5. Tissue characterization using electrical impedance spectroscopy data: a linear algebra approach.

    Science.gov (United States)

    Laufer, Shlomi; Solomon, Stephen B; Rubinsky, Boris

    2012-06-01

    In this study, we use a new linear algebra manipulation on electrical impedance spectroscopy measurements to provide real-time information regarding the nature of the tissue surrounding the needle in minimal invasive procedures. Using a Comsol Multiphysics three-dimensional model, a phantom based on ex vivo animal tissue and in vivo animal data, we demonstrate how tissue inhomogeneity can be characterized without any previous knowledge of the electrical properties of the different tissues, except that they should not be linearly dependent on a certain frequency range. This method may have applications in needle biopsies, radiation seeds, or minimally invasive surgery and can reduce the number of computer tomography or magnetic resonance imaging images. We conclude by demonstrating how this mathematical approach can be useful in other applications.

  6. Tissue characterization using electrical impedance spectroscopy data: a linear algebra approach

    International Nuclear Information System (INIS)

    Laufer, Shlomi; Solomon, Stephen B; Rubinsky, Boris

    2012-01-01

    In this study, we use a new linear algebra manipulation on electrical impedance spectroscopy measurements to provide real-time information regarding the nature of the tissue surrounding the needle in minimal invasive procedures. Using a Comsol Multiphysics three-dimensional model, a phantom based on ex vivo animal tissue and in vivo animal data, we demonstrate how tissue inhomogeneity can be characterized without any previous knowledge of the electrical properties of the different tissues, except that they should not be linearly dependent on a certain frequency range. This method may have applications in needle biopsies, radiation seeds, or minimally invasive surgery and can reduce the number of computer tomography or magnetic resonance imaging images. We conclude by demonstrating how this mathematical approach can be useful in other applications. (paper)

  7. Instrument for x-ray absorption spectroscopy with in situ electrical control characterizations

    International Nuclear Information System (INIS)

    Huang, Chun-Chao; Chang, Shu-Jui; Yang, Chao-Yao; Tseng, Yuan-Chieh; Chou, Hsiung

    2013-01-01

    We report a synchrotron-based setup capable of performing x-ray absorption spectroscopy and x-ray magnetic circular dichroism with simultaneous electrical control characterizations. The setup can enable research concerning electrical transport, element- and orbital-selective magnetization with an in situ fashion. It is a unique approach to the real-time change of spin-polarized electronic state of a material/device exhibiting magneto-electric responses. The performance of the setup was tested by probing the spin-polarized states of cobalt and oxygen of Zn 1-x Co x O dilute magnetic semiconductor under applied voltages, both at low (∼20 K) and room temperatures, and signal variations upon the change of applied voltage were clearly detected

  8. Characterization of the implantation damage in SiO2 with x-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Ajioka, T.; Ushio, S.

    1986-01-01

    X-ray photoelectron spectroscopy (XPS) has been applied to characterize the damage introduced into SiO 2 by ion implantation. By measuring the peak width of Si/sub 2p/ from SiO 2 which corresponds to perturbation of the SiO 2 network, good depth profiles of the damage have been obtained for implanted samples and subsequently annealed samples. The results show that the damage distributed more widely than that calculated from energy deposition and that the perturbation of the network is caused not only by radiation damage but also by the existence of impurities in the network. It has been found that the XPS method is effective to understand the atomic structure, and thus, electrical properties of SiO 2

  9. Characterization of Metalloproteins and Biomaterials by X-ray Absorption Spectroscopy and X-ray Diffraction

    DEFF Research Database (Denmark)

    Frankær, Christian Grundahl

    This thesis presents thework on combining complementary X-rays techniques for studying the structures of proteins and other biomaterials, and consists of three different projects: (i) Characterization of protein powders with X-ray powder diffraction (XRPD). (ii) The combination of X-ray...... crystallography and X-ray absorption spectroscopy (XAS) applied to studying different hexameric insulin conformations. (iii) The structures of polymorphs of strontium ranelate and the distribution of strontium in bone tissue. A procedure for fast identification and verification of protein powders using XRPD...... was correction for disordered bulk-solvent, but also correction for background and optimization of unit cell parameters have to be taken into account. A sample holder was designed for collecting powder diffraction data on a standard laboratory X-ray powder diffractometer. The background was reduced by use...

  10. Structural characterization of H plasma-doped ZnO single crystals by positron annihilation spectroscopies

    Energy Technology Data Exchange (ETDEWEB)

    Anwand, Wolfgang; Brauer, Gerhard; Cowan, Thomas E. [Institut fuer Strahlenphysik, Forschungszentrum Dresden-Rossendorf, P.O. Box 510 119, 01314 Dresden (Germany); Grambole, Dieter; Skorupa, Wolfgang [Institut fuer Ionenstrahlphysik und Materialforschung, Forschungszentrum Dresden-Rossendorf, P.O. Box 510 119, 01314 Dresden (Germany); Cizek, Jakub; Kuriplach, Jan; Prochazka, Ivan [Department of Low Temperature Physics, Charles University, V Holesovickach 2, 18000 Prague (Czech Republic); Egger, Werner; Sperr, Peter [Institut fuer Angewandte Physik und Messtechnik, Fakultaet fuer Luft- und Raumfahrttechnik, Universitaet der Bundeswehr, Heisenbergweg 39, 85579 Neubiberg (Germany)

    2010-11-15

    Nominally undoped, hydrothermally grown ZnO single crystals have been investigated before and after exposure to remote H plasma. Structural characterizations have been made by various positron annihilation spectroscopies (continuous and pulsed slow positron beams, conventional lifetime). The content of bound hydrogen (H-b) before and after the remote H plasma treatment at the polished side of the crystals was determined at depths of 100 and 600 nm, respectively, using nuclear reaction analysis. At a depth of 100 nm, H-b increased from (11.8{+-}2.5) to (48.7{+-}7.6) x 10{sup 19} cm{sup -3} after remote H plasma treatment, whereas at 600 nm no change in H-b was observed. (Copyright copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  11. Characterization of Inclusions in Evolution of Sodium Sulfate Using Terahertz Time-domain Spectroscopy.

    Science.gov (United States)

    Bao, Rima; Wu, Zhikui; Li, Hao; Wang, Fang; Miao, Xinyang; Feng, Chengjing

    2017-01-01

    The study of fluid inclusion is one of the important means to understanding the evolution of mineral crystals, and can therefore provide original information of mineral evolution. In the process of evolution, outside factors such as temperature and pressure, directly affect the number and size of inclusions, and thus are related to the properties of crystals. In this paper, terahertz time-domain spectroscopy (THz-TDS) was used to detect sodium sulfate crystals with different growth temperatures, and absorption coefficient spectra of the samples were obtained. It is suggested that the evolution of sodium sulfate could be divided into two stages, and 80°C was the turning point. X-ray diffraction (XRD) and polarizing microscopy were used to support this conclusion. The research showed that THz-TDS could characterize the evolution of mineral crystals, and it had a unique advantage in terms of crystal evolution.

  12. Purity and Defect Characterization of Single-Wall Carbon Nanotubes Using Raman Spectroscopy

    Directory of Open Access Journals (Sweden)

    Yasumitsu Miyata

    2011-01-01

    Full Text Available We investigated the purity and defects of single-wall carbon nanotubes (SWCNTs produced by various synthetic methods including chemical vapor deposition, arc discharge, and laser ablation. The SWCNT samples were characterized using scanning electron microscopy (SEM, thermogravimetric analysis (TGA, and Raman spectroscopy. Quantitative analysis of SEM images suggested that the G-band Raman intensity serves as an index for the purity. By contrast, the intensity ratio of G-band to D-band (G/D ratio reflects both the purity and the defect density of SWCNTs. The combination of G-band intensity and G/D ratio is useful for a quick, nondestructive evaluation of the purity and defect density of a SWCNT sample.

  13. Comparison of torque measurements and near-infrared spectroscopy in characterization of a wet granulation process

    DEFF Research Database (Denmark)

    Jørgensen, Anna Cecilia; Luukkonen, Pirjo; Rantanen, Jukka

    2004-01-01

    The purpose of this study was to compare impeller torque measurements and near-infrared (NIR) spectroscopy in the characterization of the water addition phase of a wet granulation process. Additionally, the effect of hydrate formation during granulation on the impeller torque was investigated....... Anhydrous theophylline, alpha-lactose monohydrate, and microcrystalline cellulose (MCC) were used as materials for the study. The materials and mixtures of them were granulated using purified water in a small-scale high-shear mixer. The impeller torque was registered and NIR spectra of wet samples were...... recorded at-line. The torque and the NIR baseline-corrected water absorbances increased with increasing water content. A plateau in the NIR baseline-corrected water absorbances was observed for wet masses containing MCC. This was at the region of optimal water amount for granulation according to the torque...

  14. Ultraviolet-visible and fluorescence spectroscopy can be used as a diagnostic tool for gamma irradiation detection in vivo.

    Science.gov (United States)

    K-Abdelhalim, Mohamed Anwar; Moussa, Sherif A-Abdelmottaleb

    2016-09-01

    The spectroscopic properties can indicate important features about the nature and severity of the disease. However, no earlier studies have been used the spectroscopic properties as a diagnostic tool for radiation detection. This study was aimed to use ultraviolet-visible and fluorescence spectroscopy as a diagnostic tool for gamma irradiation detection in rats in vivo. Adult male rats were exposed to 25, 50, 75 and 100 Gray as single dose, using Cobalt-60 (Co-60) source with a dose rate of 0.883 centi Gray/sec (cGy/s). Ultraviolet and fluorescence spectroscopy of rat's blood serum were measured. After gamma irradiation of rats in vivo, the blood serum absorbance peaks for 25, 50, 75 and 100 Gray (Gy) decreased and shifted towards the ultra violet wavelength. A maximal change in fluorescence intensity of blood serum at 350 nm was obtained when exciting light at 194 nm after irradiation. The fluorescence intensity also decreased with the dose. The highest radiation gamma dose might be accompanied with the highest oxidative stress. This study suggests that at the above mentioned gamma radiation doses, the blood is highly fragmented; with low aggregation at 25 Gy and with high aggregation at 50-100 Gy.

  15. Characterization and correction of the false-discovery rates in resting state connectivity using functional near-infrared spectroscopy

    Science.gov (United States)

    Santosa, Hendrik; Aarabi, Ardalan; Perlman, Susan B.; Huppert, Theodore J.

    2017-05-01

    Functional near-infrared spectroscopy (fNIRS) is a noninvasive neuroimaging technique that uses low levels of red to near-infrared light to measure changes in cerebral blood oxygenation. Spontaneous (resting state) functional connectivity (sFC) has become a critical tool for cognitive neuroscience for understanding task-independent neural networks, revealing pertinent details differentiating healthy from disordered brain function, and discovering fluctuations in the synchronization of interacting individuals during hyperscanning paradigms. Two of the main challenges to sFC-NIRS analysis are (i) the slow temporal structure of both systemic physiology and the response of blood vessels, which introduces false spurious correlations, and (ii) motion-related artifacts that result from movement of the fNIRS sensors on the participants' head and can introduce non-normal and heavy-tailed noise structures. In this work, we systematically examine the false-discovery rates of several time- and frequency-domain metrics of functional connectivity for characterizing sFC-NIRS. Specifically, we detail the modifications to the statistical models of these methods needed to avoid high levels of false-discovery related to these two sources of noise in fNIRS. We compare these analysis procedures using both simulated and experimental resting-state fNIRS data. Our proposed robust correlation method has better performance in terms of being more reliable to the noise outliers due to the motion artifacts.

  16. Applicability of UV laser-induced solid-state fluorescence spectroscopy for characterization of solid dosage forms.

    Science.gov (United States)

    Woltmann, Eva; Meyer, Hans; Weigel, Diana; Pritzke, Heinz; Posch, Tjorben N; Kler, Pablo A; Schürmann, Klaus; Roscher, Jörg; Huhn, Carolin

    2014-10-01

    High production output of solid pharmaceutical formulations requires fast methods to ensure their quality. Likewise, fast analytical procedures are required in forensic sciences, for example at customs, to substantiate an initial suspicion. We here present the design and the optimization of an instrumental setup for rapid and non-invasive characterization of tablets by laser-induced fluorescence spectroscopy (with a UV-laser (λ ex = 266 nm) as excitation source) in reflection geometry. The setup was first validated with regard to repeatability, bleaching phenomena, and sensitivity. The effect on the spectra by the physical and chemical properties of the samples, e.g. their hardness, homogeneity, chemical composition, and granule grain size of the uncompressed material, using a series of tablets, manufactured in accordance with design of experiments, was investigated. Investigation of tablets with regard to homogeneity, especially, is extremely important in pharmaceutical production processes. We demonstrate that multiplicative scatter correction is an appropriate tool for data preprocessing of fluorescence spectra. Tablets with different physical and chemical characteristics can be discriminated well from their fluorescence spectra by subjecting the results to principal component analysis.

  17. Characterization of un-irradiated MIMAS MOX fuel by Raman spectroscopy and EPMA

    Science.gov (United States)

    Talip, Zeynep; Peuget, Sylvain; Magnin, Magali; Tribet, Magaly; Valot, Christophe; Vauchy, Romain; Jégou, Christophe

    2018-02-01

    In this study, Raman spectroscopy technique was implemented to characterize un-irradiated MIMAS (MIcronized - MASter blend) MOX fuel samples with average 7 wt.% Pu content and different damage levels, 13 years after fabrication, one year after thermal recovery and soon after annealing, respectively. The impacts of local Pu content, deviation from stoichiometry and self-radiation damage on Raman spectrum of the studied MIMAS MOX samples were assessed. MIMAS MOX fuel has three different phases Pu-rich agglomerate, coating phase and uranium matrix. In order to distinguish these phases, Raman results were associated with Pu content measurements performed by Electron Microprobe Analysis. Raman results show that T2g frequency significantly shifts from 445 to 453 cm-1 for Pu contents increasing from 0.2 to 25 wt.%. These data are satisfactorily consistent with the calculations obtained with Gruneisen parameters. It was concluded that the position of the T2g band is mainly controlled by Pu content and self-radiation damage. Deviation from stoichiometry does not have a significant influence on T2g band position. Self-radiation damage leads to a shift of T2g band towards lower frequency (∼1-2 cm-1 for the UO2 matrix of damaged sample). However, this shift is difficult to quantify for the coating phase and Pu agglomerates given the dispersion of high Pu concentrations. In addition, 525 cm-1 band, which was attributed to sub-stoichiometric structural defects, is presented for the first time for the self-radiation damaged MOX sample. Thanks to the different oxidation resistance of each phase, it was shown that laser induced oxidation could be alternatively used to identify the phases. It is demonstrated that micro-Raman spectroscopy is an efficient technique for the characterization of heterogeneous MOX samples, due to its low spatial resolution.

  18. Measurement and Characterization of Hydrogen-Deuterium Exchange Chemistry Using Relaxation Dispersion NMR Spectroscopy.

    Science.gov (United States)

    Khirich, Gennady; Holliday, Michael J; Lin, Jasper C; Nandy, Aditya

    2018-03-01

    One-dimensional heteronuclear relaxation dispersion NMR spectroscopy at 13 C natural abundance successfully characterized the dynamics of the hydrogen-deuterium exchange reaction occurring at the N ε position in l-arginine by monitoring C δ in varying amounts of D 2 O. A small equilibrium isotope effect was observed and quantified, corresponding to ΔG = -0.14 kcal mol -1 . A bimolecular rate constant of k D = 5.1 × 10 9 s -1 M -1 was determined from the pH*-dependence of k ex (where pH* is the direct electrode reading of pH in 10% D 2 O and k ex is the nuclear spin exchange rate constant), consistent with diffusion-controlled kinetics. The measurement of ΔG serves to bridge the millisecond time scale lifetimes of the detectable positively charged arginine species with the nanosecond time scale lifetime of the nonobservable low-populated neutral arginine intermediate species, thus allowing for characterization of the equilibrium lifetimes of the various arginine species in solution as a function of fractional solvent deuterium content. Despite the system being in fast exchange on the chemical shift time scale, the magnitude of the secondary isotope shift due to the exchange reaction at N ε was accurately measured to be 0.12 ppm directly from curve-fitting D 2 O-dependent dispersion data collected at a single static field strength. These results indicate that relaxation dispersion NMR spectroscopy is a robust and general method for studying base-catalyzed hydrogen-deuterium exchange chemistry at equilibrium.

  19. Microalgal process-monitoring based on high-selectivity spectroscopy tools: status and future perspectives

    DEFF Research Database (Denmark)

    Podevin, Michael Paul Ambrose; Fotidis, Ioannis; Angelidaki, Irini

    2018-01-01

    microalgae production towards process automation through multivariate process control (MVPC) and software sensors trained on “big data”. The paper will also include a comprehensive overview of off-line implementations of vibrational spectroscopy in microalgal research as it pertains to spectral...... contribution of this review is to present current and prospective advances of on-line and in-line process analytical technology (PAT), with high-selectivity – the capability of monitoring several analytes simultaneously – in the interest of improving product quality, productivity, and process automation...... interpretation and process automation to aid and motivate development....

  20. Characterization of Campylobacter jejuni applying flaA short variable region sequencing, multilocus sequencing and Fourier transform infrared spectroscopy

    DEFF Research Database (Denmark)

    Josefsen, Mathilde Hartmann; Bonnichsen, Lise; Larsson, Jonas

    flaA short variable region sequencing and phenetic Fourier transform infrared (FTIR) spectroscopy was applied on a collection of 102 Campylobacter jejuni isolated from continuous sampling of organic, free range geese and chickens. FTIR has been shown to serve as a valuable tool in typing...

  1. Thermal and Chemical Characterization of Non-Metallic Materials Using Coupled Thermogravimetric Analysis and Infrared Spectroscopy

    Science.gov (United States)

    Huff, Timothy L.

    2002-01-01

    Thermogravimetric analysis (TGA) is widely employed in the thermal characterization of non-metallic materials, yielding valuable information on decomposition characteristics of a sample over a wide temperature range. However, a potential wealth of chemical information is lost during the process, with the evolving gases generated during thermal decomposition escaping through the exhaust line. Fourier Transform-Infrared spectroscopy (FT-IR) is a powerful analytical technique for determining many chemical constituents while in any material state, in this application, the gas phase. By linking these two techniques, evolving gases generated during the TGA process are directed into an appropriately equipped infrared spectrometer for chemical speciation. Consequently, both thermal decomposition and chemical characterization of a material may be obtained in a single sample run. In practice, a heated transfer line is employed to connect the two instruments while a purge gas stream directs the evolving gases into the FT-IR. The purge gas can be either high purity air or an inert gas such as nitrogen to allow oxidative and pyrolytic processes to be examined, respectively. The FT-IR data is collected realtime, allowing continuous monitoring of chemical compositional changes over the course of thermal decomposition. Using this coupled technique, an array of diverse materials has been examined, including composites, plastics, rubber, fiberglass epoxy resins, polycarbonates, silicones, lubricants and fluorocarbon materials. The benefit of combining these two methodologies is of particular importance in the aerospace community, where newly developing materials have little available data with which to refer. By providing both thermal and chemical data simultaneously, a more definitive and comprehensive characterization of the material is possible. Additionally, this procedure has been found to be a viable screening technique for certain materials, with the generated data useful in

  2. Raman spectroscopy as a new tool for early detection of bacteria in patients with cystic fibrosis

    International Nuclear Information System (INIS)

    Rusciano, Giulia; Capriglione, Paola; Pesce, Giuseppe; Sasso, Antonio; Abete, Pasquale; Carnovale, Vincenzo

    2013-01-01

    Respiratory infections represent a major threat for people affected by cystic fibrosis, leading to pulmonary deterioration and lung transplantation as a therapeutic option for end-stage patients. A fast and correct identification of pathogens in airway fluid of these patients is crucial to establish appropriate therapies, to prevent cross-infections and, ultimately, to preserve lung function. In this study, we used Raman spectroscopy to reveal bacteria in the sputa of patients such as Pseudomonas aeruginosa and Staphylococcus aureus, which are among the earliest and the most frequent bacteria affecting cystic fibrosis patients. We found that Raman analysis, combined with principal component analysis, is able to provide a correct identification of these bacteria, with a global accuracy higher than 95%. Interestingly, bacterial identification is performed by analysing patients’ sputa as a whole, avoiding, therefore, time-consuming procedures involving bacterial isolation or even bacterial cultures. This study suggests that Raman spectroscopy could be a suitable candidate for the development of innovative and non-invasive procedures for a fast and reliable identification of respiratory infections in cystic fibrosis patients. (letter)

  3. Raman spectroscopy as a new tool for early detection of bacteria in patients with cystic fibrosis

    Science.gov (United States)

    Rusciano, Giulia; Capriglione, Paola; Pesce, Giuseppe; Abete, Pasquale; Carnovale, Vincenzo; Sasso, Antonio

    2013-07-01

    Respiratory infections represent a major threat for people affected by cystic fibrosis, leading to pulmonary deterioration and lung transplantation as a therapeutic option for end-stage patients. A fast and correct identification of pathogens in airway fluid of these patients is crucial to establish appropriate therapies, to prevent cross-infections and, ultimately, to preserve lung function. In this study, we used Raman spectroscopy to reveal bacteria in the sputa of patients such as Pseudomonas aeruginosa and Staphylococcus aureus, which are among the earliest and the most frequent bacteria affecting cystic fibrosis patients. We found that Raman analysis, combined with principal component analysis, is able to provide a correct identification of these bacteria, with a global accuracy higher than 95%. Interestingly, bacterial identification is performed by analysing patients’ sputa as a whole, avoiding, therefore, time-consuming procedures involving bacterial isolation or even bacterial cultures. This study suggests that Raman spectroscopy could be a suitable candidate for the development of innovative and non-invasive procedures for a fast and reliable identification of respiratory infections in cystic fibrosis patients.

  4. Microalgal process-monitoring based on high-selectivity spectroscopy tools: status and future perspectives.

    Science.gov (United States)

    Podevin, Michael; Fotidis, Ioannis A; Angelidaki, Irini

    2018-08-01

    Microalgae are well known for their ability to accumulate lipids intracellularly, which can be used for biofuels and mitigate CO 2 emissions. However, due to economic challenges, microalgae bioprocesses have maneuvered towards the simultaneous production of food, feed, fuel, and various high-value chemicals in a biorefinery concept. On-line and in-line monitoring of macromolecules such as lipids, proteins, carbohydrates, and high-value pigments will be more critical to maintain product quality and consistency for downstream processing in a biorefinery to maintain and valorize these markets. The main contribution of this review is to present current and prospective advances of on-line and in-line process analytical technology (PAT), with high-selectivity - the capability of monitoring several analytes simultaneously - in the interest of improving product quality, productivity, and process automation of a microalgal biorefinery. The high-selectivity PAT under consideration are mid-infrared (MIR), near-infrared (NIR), and Raman vibrational spectroscopies. The current review contains a critical assessment of these technologies in the context of recent advances in software and hardware in order to move microalgae production towards process automation through multivariate process control (MVPC) and software sensors trained on "big data". The paper will also include a comprehensive overview of off-line implementations of vibrational spectroscopy in microalgal research as it pertains to spectral interpretation and process automation to aid and motivate development.

  5. Spectroscopy applied to feed additives of the European Union Reference Laboratory: a valuable tool for traceability.

    Science.gov (United States)

    Omar, Jone; Slowikowski, Boleslaw; Boix, Ana; von Holst, Christoph

    2017-08-01

    Feed additives need to be authorised to be placed on the market according to Regulation (EU) No. 1831/2003. Next to laying down the procedural requirements, the regulation creates the European Union Reference Laboratory for Feed Additives (EURL-FA) and requires that applicants send samples to the EURL-FA. Once authorised, the characteristics of the marketed feed additives should correspond to those deposited in the sample bank of the EURL-FA. For this purpose, the submitted samples were subjected to near-infrared (NIR) and Raman spectroscopy for spectral characterisation. These techniques have the valuable potential of characterising the feed additives in a non-destructive manner without any complicated sample preparation. This paper describes the capability of spectroscopy for a rapid characterisation of products to establish whether specific authorisation criteria are met. This study is based on the analysis of feed additive samples from different categories and functional groups, namely products containing (1) selenium, (2) zinc and manganese, (3) vitamins and (4) essential oils such as oregano and thyme oil. The use of chemometrics turned out to be crucial, especially in cases where the differentiation of spectra by visual inspection was very difficult.

  6. Use of polarized spectroscopy as a tool for examining the microstructure of cellulosic textile fibers.

    Science.gov (United States)

    Garside, Paul; Wyeth, Paul

    2007-05-01

    Textile artifacts form a vital part of our cultural heritage. In order to determine appropriate methods of conservation, storage, and display, it is important to understand the current physical state of an artifact, as effected by the microstructure of the component fibers. The semi-crystalline nature of the constituent polymer aggregates, the degree of crystallinity, and the crystallite orientation have a significant influence on mechanical properties. The value of polarized Fourier transform infrared (FT-IR) spectroscopy in probing these aspects of cellulosic fibers has been assessed. A variety of representative fibers (both natural plant fibers and regenerated materials) were examined by polarized attenuated total reflection spectroscopy (Pol-ATR) and polarized infrared microspectroscopy (Pol-microIR); the former is a surface sampling technique and the latter is a transmission technique. The introduction of a polarizer into the system allows the alignment as well as the nature of bonds to be determined, and thus the presence and extent of crystallinity or long range ordering can be investigated. Using the data from the Pol-ATR experiments, it was found to be possible to derive the principle alignment of the cellulose polymer with respect to the fiber axis, along with an indication of the total cellulose crystallinity of the material, as measured by a crystallinity parameter, Chi. The Pol-microIR spectra, on the other hand, yielded more limited information, particularly when considering plant fibers with more complex microstructures.

  7. Borehole Tool for the Comprehensive Characterization of Hydrate-bearing Sediments

    KAUST Repository

    Dai, Sheng; Santamarina, Carlos

    2018-01-01

    Reservoir characterization and simulation require reliable parameters to anticipate hydrate deposits responses and production rates. The acquisition of the required fundamental properties currently relies on wireline logging, pressure core testing, and/or laboratory ob-servations of synthesized specimens, which are challenged by testing capabilities and in-nate sampling disturbances. The project reviews hydrate-bearing sediments, properties, and inherent sampling effects, albeit lessen with the developments in pressure core technology, in order to develop robust correlations with index parameters. The resulting information is incorporated into a tool for optimal field characterization and parameter selection with un-certainty analyses. Ultimately, the project develops a borehole tool for the comprehensive characterization of hydrate-bearing sediments at in situ, with the design recognizing past developments and characterization experience and benefited from the inspiration of nature and sensor miniaturization.

  8. Borehole Tool for the Comprehensive Characterization of Hydrate-bearing Sediments

    KAUST Repository

    Dai, Sheng

    2018-02-01

    Reservoir characterization and simulation require reliable parameters to anticipate hydrate deposits responses and production rates. The acquisition of the required fundamental properties currently relies on wireline logging, pressure core testing, and/or laboratory ob-servations of synthesized specimens, which are challenged by testing capabilities and in-nate sampling disturbances. The project reviews hydrate-bearing sediments, properties, and inherent sampling effects, albeit lessen with the developments in pressure core technology, in order to develop robust correlations with index parameters. The resulting information is incorporated into a tool for optimal field characterization and parameter selection with un-certainty analyses. Ultimately, the project develops a borehole tool for the comprehensive characterization of hydrate-bearing sediments at in situ, with the design recognizing past developments and characterization experience and benefited from the inspiration of nature and sensor miniaturization.

  9. Borehole Tool for the Comprehensive Characterization of Hydrate-bearing Sediments

    Energy Technology Data Exchange (ETDEWEB)

    Dai, Sheng [Georgia Inst. of Technology, Atlanta, GA (United States); Santamarina, J. Carlos [Georgia Inst. of Technology, Atlanta, GA (United States); King Abdullah Univ. of Science and Technology (KAUST), Thuwal (Saudi Arabia)

    2017-12-30

    Reservoir characterization and simulation require reliable parameters to anticipate hydrate deposits responses and production rates. The acquisition of the required fundamental properties currently relies on wireline logging, pressure core testing, and/or laboratory observations of synthesized specimens, which are challenged by testing capabilities and innate sampling disturbances. The project reviews hydrate-bearing sediments, properties, and inherent sampling effects, albeit lessen with the developments in pressure core technology, in order to develop robust correlations with index parameters. The resulting information is incorporated into a tool for optimal field characterization and parameter selection with uncertainty analyses. Ultimately, the project develops a borehole tool for the comprehensive characterization of hydrate-bearing sediments at in situ, with the design recognizing past developments and characterization experience and benefited from the inspiration of nature and sensor miniaturization.

  10. Laser induced breakdown spectroscopy for analysis and characterization of degradation pathologies of Roman glasses

    Energy Technology Data Exchange (ETDEWEB)

    Palomar, T. [Instituto de Historia, Centro de Ciencias Humanas y Sociales, CSIC, C/Albasanz 26-28, 28037 Madrid (Spain); Oujja, M., E-mail: m.oujja@iqfr.csic.es [Instituto de Química Física Rocasolano, CSIC, C/Serrano 119, 28006 Madrid (Spain); García-Heras, M.; Villegas, M.A. [Instituto de Historia, Centro de Ciencias Humanas y Sociales, CSIC, C/Albasanz 26-28, 28037 Madrid (Spain); Castillejo, M. [Instituto de Química Física Rocasolano, CSIC, C/Serrano 119, 28006 Madrid (Spain)

    2013-09-01

    The feasibility and possibilities of laser induced breakdown spectroscopy (LIBS) in the full study of non-destructible historic glasses have been explored in the present work. Thirteen Roman glass samples, including seven entire glass beads, from the ancient town of Augusta Emerita (SW Spain) were characterized by LIBS in combination with other conventional techniques, such as scanning electron microscopy/energy dispersive X-ray spectrometry, X-ray fluorescence and ultraviolet–visible spectrophotometry. LIBS stratigraphic analysis, carried out by the application of successive laser pulses on the same spot, has been mainly targeted at characterizing particular features of non-destructible historic glasses, such as bulk chemical composition, surface degradation pathologies (dealkalinization layers and deposits), chromophores, and opacifying elements. The obtained data demonstrate that LIBS can be a useful and alternative technique for spectroscopic studies of historical glasses, especially for those conserved under burial conditions and when it deals with studying non-destructible samples. - Highlights: • Determination of chromophores and opacifiers in non-destructible glass by LIBS • Manganese is determined as principal component of dark deposits. • Antimony appears in all decorations while lead is only present in yellow ones. • Stratigraphic analysis enables the identification of dealkalinization layers.

  11. Positron annihilation lifetime spectroscopy (PALS) as a characterization technique for nanostructured self-assembled amphiphile systems.

    Science.gov (United States)

    Dong, Aurelia W; Pascual-Izarra, Carlos; Pas, Steven J; Hill, Anita J; Boyd, Ben J; Drummond, Calum J

    2009-01-08

    Positron annihilation lifetime spectroscopy (PALS) has potential as a novel rapid characterization method for self-assembly amphiphile systems; however, a lack of systematic correlation of PALS parameters with structural attributes has limited its more widespread application. In this study, using the well-characterized phytantriol/water and the phytantriol/vitamin E acetate/water self-assembly amphiphile systems, the impact of systematic structural changes controlled by changes in composition and temperature on PALS parameters has been studied. The PALS parameters (orthopositronium (oPs) lifetime and intensity signatures) were shown to be sensitive to the molecular packing and mobility of the self-assembled lipid molecules in various lyotropic liquid crystalline phases, enabling differentiation between liquid crystalline structures. The oPs lifetime, related to the molecular packing and mobility, is correlated with rheological properties of the individual mesophases. The oPs lifetime links the lipid chain packing and mobility in the various mesophases to resultant macroscopic properties, such as permeability, which is critical for the use of these mesophase structures as diffusion-controlled release matrices for active liposoluble compounds.

  12. Using Dielectric Relaxation Spectroscopy to Characterize the Glass Transition Time of Polydextrose.

    Science.gov (United States)

    Buehler, Martin G; Kindle, Michael L; Carter, Brady P

    2015-06-01

    Dielectric relaxation spectroscopy was used to characterize the glass transition time, tg , of polydextrose, where the glass transition temperature, Tg , and water activity, aw (relative humidity), were held constant during polydextrose relaxation. The tg was determined from a shift in the peak frequency of the imaginary capacitance spectrum with time. It was found that when the peak frequency reaches 30 mHz, polydextrose undergoes glass transition. Glass transition time, tg , is the time for polydextrose to undergo glass transition at a specific Tg and aw . Results lead to a modified state diagram, where Tg is depressed with increasing aw . This curve forms a boundary: (a) below the boundary, polydextrose does not undergo glass transition and (b) above the boundary, polydextrose rapidly undergoes glass transition. As the boundary curve is specified by a tg value, it can assist in the selection of storage conditions. An important point on the boundary curve is at aw = 0, where Tg0 = 115 °C. The methodology can also be used to calculate the stress-relaxation viscosity of polydextrose as a function of Tg and aw , which is important when characterizing the flow properties of polydextrose initially in powder form. © 2015 Institute of Food Technologists®

  13. Electrochemical impedance spectroscopy for quantitative interface state characterization of planar and nanostructured semiconductor-dielectric interfaces

    Science.gov (United States)

    Meng, Andrew C.; Tang, Kechao; Braun, Michael R.; Zhang, Liangliang; McIntyre, Paul C.

    2017-10-01

    The performance of nanostructured semiconductors is frequently limited by interface defects that trap electronic carriers. In particular, high aspect ratio geometries dramatically increase the difficulty of using typical solid-state electrical measurements (multifrequency capacitance- and conductance-voltage testing) to quantify interface trap densities (D it). We report on electrochemical impedance spectroscopy (EIS) to characterize the energy distribution of interface traps at metal oxide/semiconductor interfaces. This method takes advantage of liquid electrolytes, which provide conformal electrical contacts. Planar Al2O3/p-Si and Al2O3/p-Si0.55Ge0.45 interfaces are used to benchmark the EIS data against results obtained from standard electrical testing methods. We find that the solid state and EIS data agree very well, leading to the extraction of consistent D it energy distributions. Measurements carried out on pyramid-nanostructured p-Si obtained by KOH etching followed by deposition of a 10 nm ALD-Al2O3 demonstrate the application of EIS to trap characterization of a nanostructured dielectric/semiconductor interface. These results show the promise of this methodology to measure interface state densities for a broad range of semiconductor nanostructures such as nanowires, nanofins, and porous structures.

  14. Characterization of hard coatings produced by laser cladding using laser-induced breakdown spectroscopy technique

    Science.gov (United States)

    Varela, J. A.; Amado, J. M.; Tobar, M. J.; Mateo, M. P.; Yañez, A.; Nicolas, G.

    2015-05-01

    Protective coatings with a high abrasive wear resistance can be obtained from powders by laser cladding technique, in order to extend the service life of some industrial components. In this work, laser clad layers of self-fluxing NiCrBSi alloy powder mixed with WC powder have been produced on stainless steel substrates of austenitic type (AISI 304) in a first step and then chemically characterized by laser-induced breakdown spectroscopy (LIBS) technique. With the suitable laser processing parameters (mainly output power, beam scan speed and flow rate) and powders mixture proportions between WC ceramics and NiCrBSi alloys, dense pore free layers have been obtained on single tracks and on large areas with overlapped tracks. The results achieved by LIBS technique and applied for the first time to the analysis of laser clads provided the chemical composition of the tungsten carbides in metal alloy matrix. Different measurement modes (multiple point analyses, depth profiles and chemical maps) have been employed, demonstrating the usefulness of LIBS technique for the characterization of laser clads based on hardfacing alloys. The behavior of hardness can be explained by LIBS maps which evidenced the partial dilution of some WC spheres in the coating.

  15. Combining fibre optic Raman spectroscopy and tactile resonance measurement for tissue characterization

    International Nuclear Information System (INIS)

    Candefjord, Stefan; Nyberg, Morgan; Ramser, Kerstin; Lindahl, Olof A; Jalkanen, Ville

    2010-01-01

    Tissue characterization is fundamental for identification of pathological conditions. Raman spectroscopy (RS) and tactile resonance measurement (TRM) are two promising techniques that measure biochemical content and stiffness, respectively. They have potential to complement the golden standard-–histological analysis. By combining RS and TRM, complementary information about tissue content can be obtained and specific drawbacks can be avoided. The aim of this study was to develop a multivariate approach to compare RS and TRM information. The approach was evaluated on measurements at the same points on porcine abdominal tissue. The measurement points were divided into five groups by multivariate analysis of the RS data. A regression analysis was performed and receiver operating characteristic (ROC) curves were used to compare the RS and TRM data. TRM identified one group efficiently (area under ROC curve 0.99). The RS data showed that the proportion of saturated fat was high in this group. The regression analysis showed that stiffness was mainly determined by the amount of fat and its composition. We concluded that RS provided additional, important information for tissue identification that was not provided by TRM alone. The results are promising for development of a method combining RS and TRM for intraoperative tissue characterization

  16. Laser induced breakdown spectroscopy for analysis and characterization of degradation pathologies of Roman glasses

    International Nuclear Information System (INIS)

    Palomar, T.; Oujja, M.; García-Heras, M.; Villegas, M.A.; Castillejo, M.

    2013-01-01

    The feasibility and possibilities of laser induced breakdown spectroscopy (LIBS) in the full study of non-destructible historic glasses have been explored in the present work. Thirteen Roman glass samples, including seven entire glass beads, from the ancient town of Augusta Emerita (SW Spain) were characterized by LIBS in combination with other conventional techniques, such as scanning electron microscopy/energy dispersive X-ray spectrometry, X-ray fluorescence and ultraviolet–visible spectrophotometry. LIBS stratigraphic analysis, carried out by the application of successive laser pulses on the same spot, has been mainly targeted at characterizing particular features of non-destructible historic glasses, such as bulk chemical composition, surface degradation pathologies (dealkalinization layers and deposits), chromophores, and opacifying elements. The obtained data demonstrate that LIBS can be a useful and alternative technique for spectroscopic studies of historical glasses, especially for those conserved under burial conditions and when it deals with studying non-destructible samples. - Highlights: • Determination of chromophores and opacifiers in non-destructible glass by LIBS • Manganese is determined as principal component of dark deposits. • Antimony appears in all decorations while lead is only present in yellow ones. • Stratigraphic analysis enables the identification of dealkalinization layers

  17. Pink berry grape (Vitis vinifera L.) characterization: Reflectance spectroscopy, HPLC and molecular markers.

    Science.gov (United States)

    Rustioni, Laura; De Lorenzis, Gabriella; Hârţa, Monica; Failla, Osvaldo

    2016-01-01

    Color has a fundamental role for the qualitative evaluation and cultivar characterization of fruits. In grape, a normally functional pigment biosynthesis leads to the accumulation of a high quantity of anthocyanins. In this work, 28 Vitis vinifera L. cultivars accumulating low anthocyanins in berries were studied to characterize the biosynthetic dysfunctions in both a phenotypic and genotypic point of view. Reflectance spectroscopy, HPLC profiles and molecular markers related to VvMybA1 and VvMybA2 genes allowed a detailed description of the pigment-related characteristics of these cultivars. Data were consistent concerning the heterozygosity of the non-functional allele in both investigated genes, resulting in a low colored phenotype as described by reflectance. However, the variability in berry colour among our samples was not fully explained by MybA locus, probably due to specific interferences among the biosynthetic pathways, as suggested by the anthocyanin profile variations detected among our samples. The results presented in this work confirmed the importance of the genetic background: grapes accumulating high levels of cyanidin-3-O-glucosides (di-substituted anthocyanin) are generally originated by white cultivar retro-mutations and they seem to preserve the anomalies in the flavonoid hydroxylases enzymes which negatively affect the synthesis of tri-substituted anthocyanins. Copyright © 2015 Elsevier Masson SAS. All rights reserved.

  18. Characterization and noninvasive diagnosis of bladder cancer with serum surface enhanced Raman spectroscopy and genetic algorithms

    Science.gov (United States)

    Li, Shaoxin; Li, Linfang; Zeng, Qiuyao; Zhang, Yanjiao; Guo, Zhouyi; Liu, Zhiming; Jin, Mei; Su, Chengkang; Lin, Lin; Xu, Junfa; Liu, Songhao

    2015-05-01

    This study aims to characterize and classify serum surface-enhanced Raman spectroscopy (SERS) spectra between bladder cancer patients and normal volunteers by genetic algorithms (GAs) combined with linear discriminate analysis (LDA). Two group serum SERS spectra excited with nanoparticles are collected from healthy volunteers (n = 36) and bladder cancer patients (n = 55). Six diagnostic Raman bands in the regions of 481-486, 682-687, 1018-1034, 1313-1323, 1450-1459 and 1582-1587 cm-1 related to proteins, nucleic acids and lipids are picked out with the GAs and LDA. By the diagnostic models built with the identified six Raman bands, the improved diagnostic sensitivity of 90.9% and specificity of 100% were acquired for classifying bladder cancer patients from normal serum SERS spectra. The results are superior to the sensitivity of 74.6% and specificity of 97.2% obtained with principal component analysis by the same serum SERS spectra dataset. Receiver operating characteristic (ROC) curves further confirmed the efficiency of diagnostic algorithm based on GA-LDA technique. This exploratory work demonstrates that the serum SERS associated with GA-LDA technique has enormous potential to characterize and non-invasively detect bladder cancer through peripheral blood.

  19. Combined Dynamic Light Scattering and Raman Spectroscopy Approach for Characterizing the Aggregation of Therapeutic Proteins

    Directory of Open Access Journals (Sweden)

    E. Neil Lewis

    2014-12-01

    Full Text Available Determination of the physicochemical properties of protein therapeutics and their aggregates is critical for developing formulations that enhance product efficacy, stability, safety and manufacturability. Analytical challenges are compounded for materials: (1 that are formulated at high concentration, (2 that are formulated with a variety of excipients, and (3 that are available only in small volumes. In this article, a new instrument is described that measures protein secondary and tertiary structure, as well as molecular size, over a range of concentrations and formulation conditions of low volume samples. Specifically, characterization of colloidal and conformational stability is obtained through a combination of two well-established analytical techniques: dynamic light scattering (DLS and Raman spectroscopy, respectively. As the data for these two analytical modalities are collected on the same sample at the same time, the technique enables direct correlation between them, in addition to the more straightforward benefit of minimizing sample usage by providing multiple analytical measurements on the same aliquot non-destructively. The ability to differentiate between unfolding and aggregation that the combination of these techniques provides enables insights into underlying protein aggregation mechanisms. The article will report on mechanistic insights for aggregation that have been obtained from the application of this technique to the characterization of lysozyme, which was evaluated as a function of concentration and pH.

  20. Development and analysis of spectroscopic learning tools and the light and spectroscopy concept inventory for introductory college astronomy

    Science.gov (United States)

    Bardar, Erin M.

    Electromagnetic radiation is the fundamental carrier of astronomical information. Spectral features serve as the fingerprints of the universe, revealing many important properties of objects in the cosmos such as temperature, elemental compositions, and relative motion. Because of its importance to astronomical research, the nature of light and the electromagnetic spectrum is by far the most universally covered topic in astronomy education. Yet, to the surprise and disappointment of instructors, many students struggle to understand underlying fundamental concepts related to light and spectroscopic phenomena. This dissertation describes research into introductory college astronomy students' understanding of light and spectroscopy concepts, through the development and analysis of both instructional materials and an assessment instrument. The purpose of this research was two-fold: (1) to develop a novel suite of spectroscopic learning tools that enhance student understanding of light and spectroscopy and (2) to design and validate a Light and Spectroscopy Concept Inventory (LSCI) with the sensitivity to distinguish the relative effectiveness of various teaching interventions within the context of introductory college astronomy. Through a systematic investigation that included multiple rounds of clinical interviews, open-ended written surveys, and multiple-choice testing, introductory college astronomy students' commonly held misconceptions and reasoning difficulties were explored for concepts relating to: (1) The nature of the electromagnetic spectrum, including the interrelationships of wavelength, frequency, energy, and speed; (2) interpretation of Doppler shift; (3) properties of blackbody radiation; and (4) the connection between spectral features and underlying physical processes. These difficulties guided the development of instructional materials including six unique "homelab" exercises, a binocular spectrometer, a spectral analysis software tool, and the 26

  1. Photoacoustic spectroscopy as a non-invasive tool for farmacokinetic studies in blood

    International Nuclear Information System (INIS)

    Stolik, S.; Tomas, S. A.; Ramon-Gallegos, E.; Delgado-Atencio, J. A.

    2002-01-01

    Photodynamic Therapy (PDT) has become a successful method in the treatment of cancerous tumours. This therapy is based on the interaction of light of appropriate wavelength with a photosensitiser located in tumorous tissue. It is well known that the administration of aminolevulinic acid (ALA) induces the production of protoporphyrin IX (PpIX) in different organs at characteristic times. For instance, a maximum content of PpIX is observed in skin nearly 2-3 h after exposition to ALA, whereas in blood this process usually takes place in shorter times. In this work, a comparison has been made between the conventional fluorometric measurement of PpIX in mice blood and the determination of this compound by photoacoustic spectroscopy

  2. Direct characterization of the energy level alignments and molecular components in an organic hetero-junction by integrated photoemission spectroscopy and reflection electron energy loss spectroscopy analysis.

    Science.gov (United States)

    Yun, Dong-Jin; Shin, Weon-Ho; Bulliard, Xavier; Park, Jong Hwan; Kim, Seyun; Chung, Jae Gwan; Kim, Yongsu; Heo, Sung; Kim, Seong Heon

    2016-08-26

    A novel, direct method for the characterization of the energy level alignments at bulk-heterojunction (BHJ)/electrode interfaces on the basis of electronic spectroscopy measurements is proposed. The home-made in situ photoemission system is used to perform x-ray/ultraviolet photoemission spectroscopy (XPS/UPS), reflection electron energy loss spectroscopy (REELS) and inverse photoemission spectroscopy of organic-semiconductors (OSCs) deposited onto a Au substrate. Through this analysis system, we are able to obtain the electronic structures of a boron subphthalocyanine chloride:fullerene (SubPC:C60) BHJ and those of the separate OSC/electrode structures (SubPC/Au and C60/Au). Morphology and chemical composition analyses confirm that the original SubPC and C60 electronic structures remain unchanged in the electrodes prepared. Using this technique, we ascertain that the position and area of the nearest peak to the Fermi energy (EF = 0 eV) in the UPS (REELS) spectra of SubPC:C60 BHJ provide information on the highest occupied molecular orbital level (optical band gap) and combination ratio of the materials, respectively. Thus, extracting the adjusted spectrum from the corresponding SubPC:C60 BHJ UPS (REELS) spectrum reveals its electronic structure, equivalent to that of the C60 materials. This novel analytical approach allows complete energy-level determination for each combination ratio by separating its electronic structure information from the BHJ spectrum.

  3. Characterization of polymer surface structure and surface mechanical behaviour by sum frequency generation surface vibrational spectroscopy and atomic force microscopy

    International Nuclear Information System (INIS)

    Opdahl, Aric; Koffas, Telly S; Amitay-Sadovsky, Ella; Kim, Joonyeong; Somorjai, Gabor A

    2004-01-01

    Sum frequency generation (SFG) vibrational spectroscopy and atomic force microscopy (AFM) have been used to study polymer surface structure and surface mechanical behaviour, specifically to study the relationships between the surface properties of polymers and their bulk compositions and the environment to which the polymer is exposed. The combination of SFG surface vibrational spectroscopy and AFM has been used to study surface segregation behaviour of polyolefin blends at the polymer/air and polymer/solid interfaces. SFG surface vibrational spectroscopy and AFM experiments have also been performed to characterize the properties of polymer/liquid and polymer/polymer interfaces, focusing on hydrogel materials. A method was developed to study the surface properties of hydrogel contact lens materials at various hydration conditions. Finally, the effect of mechanical stretching on the surface composition and surface mechanical behaviour of phase-separated polyurethanes, used in biomedical implant devices, has been studied by both SFG surface vibrational spectroscopy and AFM. (topical review)

  4. Synthesis and characterization of gold nanoparticles as diagnostic and therapeutic tool

    International Nuclear Information System (INIS)

    Costa, Pryscila Rodrigues da

    2012-01-01

    Nanomedicine covers the use of nanoparticles to the targeted site of action as platforms for building imaging and therapeutic agents against cancer and other human diseases. In particular, gold nanoparticles (AuNp's) have proven to be efficient for the diagnosis and therapy. Interest in the development of AuNp's is due to their extraordinary physical and chemical properties resulting from the effect of its size in the nanoscale, to have an area of easy modification and the radioactive γ and β emitter ( 198 Au; Eγ = 0,411 MeV, β max = 0,96 MeV; T 1/2 = 2,69 days), having the advantage of being able to be applied as a diagnostic tool for molecular photon emission tomography (SPECT) using only a small amount of radioactive gold . In this study were synthesized AuNp's, whose surface is functionalized with a biocompatible polymer (modified polyethylene glycol) and folic acid in order to render them stealth and specific tumors that over express the folate receptors. The techniques of Dynamic Light Scattering (DLS), zeta potential (ζ), transmission electron microscopy (TEM) and UV-Visible absorption spectroscopy were employed to characterization of the size and geometry of the nanoparticles, in addition to confirming its binding to thiol -PEG and PEG-thiol Folate. The results of UV-Visible and TEM showed the formation of dispersed AuNp's ranging in size from 8-12 nm with a strong absorption around 520 nm, relating to a maximum of surface plasmon resonance. DLS results showed a hydrodynamic diameter of 10 and 14 nm. The (pH ∼ 5.0 to 6.0) ranged ζ potential values of the dispersions prepared between -16.2 and -42.1 mV, indicating stable colloidal suspensions. To determine the real concentration of gold in the samples, it was used neutron activation in the nuclear reactor TRIGA MARK I IPR-R1 CDTN / CNEN of Belo Horizonte. Biocompatibility studies in vitro and in vivo of the samples were carried out showing that they have low toxicity in the models used. We evaluated

  5. GAUFRE: A tool for an automated determination of atmospheric parameters from spectroscopy

    Directory of Open Access Journals (Sweden)

    Fossati L.

    2013-03-01

    Full Text Available We present an automated tool for measuring atmospheric parameters (Teff, log g, [Fe/H] for F-G-K dwarf and giant stars. The tool, called GAUFRE, is composed of several routines written in C++: GAUFRE-RV measures radial velocity from spectra via cross-correlation against a synthetic template, GAUFRE-EW measures atmospheric parameters through the classic line-by-line technique and GAUFRE-CHI2 performs a ��2 fitting to a library of synthetic spectra. A set of F-G-K stars extensively studied in the literature were used as a benchmark for the program: their high signal-to-noise and high resolution spectra were analyzed by using GAUFRE and results were compared with those present in literature. The tool is also implemented in order to perform the spectral analysis after fixing the surface gravity (log g to the accurate value provided by asteroseismology. A set of CoRoT stars, belonging to LRc01 and LRa01 fields was used for first testing the performances and the behavior of the program when using the seismic log g.

  6. Surface characterization of insulin protofilaments and fibril polymorphs using tip-enhanced Raman spectroscopy (TERS).

    Science.gov (United States)

    Kurouski, Dmitry; Deckert-Gaudig, Tanja; Deckert, Volker; Lednev, Igor K

    2014-01-07

    Amyloid fibrils are β-sheet-rich protein aggregates that are strongly associated with a variety of neurodegenerative maladies, such as Alzheimer's and Parkinson's diseases. Even if the secondary structure of such fibrils is well characterized, a thorough understanding of their surface organization still remains elusive. Tip-enhanced Raman spectroscopy (TERS) is one of a few techniques that allow the direct characterization of the amino acid composition and the protein secondary structure of the amyloid fibril surface. Herein, we investigated the surfaces of two insulin fibril polymorphs with flat (flat) and left-twisted (twisted) morphology. It was found that the two differ substantially in both amino acid composition and protein secondary structure. For example, the amounts of Tyr, Pro, and His differ, as does the number of carboxyl groups on the respective surfaces, whereas the amounts of Phe and of positively charged amino and imino groups remain similar. In addition, the surface of protofilaments, the precursors of the mature flat and twisted fibrils, was investigated using TERS. The results show substantial differences with respect to the mature fibrils. A correlation of amino acid frequencies and protein secondary structures on the surface of protofilaments and on flat and twisted fibrils allowed us to propose a hypothetical mechanism for the propagation to specific fibril polymorphs. This knowledge can shed a light on the toxicity of amyloids and define the key factors responsible for fibril polymorphism. Finally, this work demonstrates the potential of TERS for the surface characterization of amyloid fibril polymorphs. Copyright © 2014 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  7. An introductory study using impedance spectroscopy technique with polarizable microelectrode for amino acids characterization

    Science.gov (United States)

    Chin, K. B.; Chi, I.; Pasalic, J.; Huang, C.-K.; Barge, Laura M.

    2018-04-01

    Portable, low power, yet ultra-sensitive life detection instrumentations are vital to future astrobiology flight programs at NASA. In this study, initial attempts to characterize amino acids in an aqueous environment by electrochemical impedance spectroscopy (EIS) using polarizable (blocking) electrodes in order to establish a means of detection via their electrical properties. Seven amino acids were chosen due to their scientific importance in demonstrating sensitivity levels in the range of part per billion concentration. Albeit more challenging in real systems of analyst mixtures, we found individual amino acids in aqueous environment do exhibit some degree of chemical and physical uniqueness to warrant characterization by EIS. The polar amino acids (Asp, Glu, and His) exhibited higher electrochemical activity than the non-polar amino acids (Ala, Gly, Val, and Leu). The non-polar amino acids (Gly and Ala) also exhibited unique electrical properties which appeared to be more dependent on physical characteristics such as molecular weight and structure. At concentrations above 1 mM where the amino acids play a more dominant transport role within the water, the conductivity was found to be more sensitive to concentrations. At lower concentrations activity with water. As revealed by equivalent circuit modeling, the relaxation times showed a 1-2 order of magnitude difference between polar and non-polar amino acids. The pseudo-capacitance from EIS measurements on sample mixtures containing salt water and individual amino acids revealed the possibility for improvement in amino acid selectivity using gold nanoporous surface enhanced electrodes. This work establishes important methodologies for characterizing amino acids using EIS combined with microscale electrodes, supporting the case for instrumentation development for life detection and origin of life programs.

  8. Characterization of dissolved organic matter in fogwater by excitation-emission matrix fluorescence spectroscopy

    Science.gov (United States)

    Birdwell, J.E.; Valsaraj, K.T.

    2010-01-01

    Dissolved organic matter (DOM) present in fogwater samples collected in southeastern Louisiana and central-eastern China has been characterized using excitation-emission matrix fluorescence spectroscopy. The goal of the study was to illustrate the utility of fluorescence for obtaining information on the large fraction of organic carbon in fogwaters (typically >40% by weight) that defies characterization in terms of specific chemical compounds without the difficulty inherent in obtaining sufficient fogwater volume to isolate DOM for assessment using other spectroscopic and chemical analyses. Based on the findings of previous studies using other characterization methods, it was anticipated that the unidentified organic carbon fraction would have characteristic peaks associated with humic substances and fluorescent amino acids. Both humic- and protein-like fluorophores were observed in the fogwater spectra and fluorescence-derived indices for the fogwater had similar values to those of soil and sediment porewater. Greater biological character was observed in samples with higher organic carbon concentrations. Fogwaters are shown to contain a mixture of terrestrially- and microbially-derived fluorescent organic material, which is expected to be derived from an array of different sources, such as suspended soil and dust particles, biogenic emissions and organic substances generated by atmospheric processes. The fluorescence results indicate that much of the unidentified organic carbon present in fogwater can be represented by humic-like and biologically-derived substances similar to those present in other aquatic systems, though it should be noted that fluorescent signatures representative of DOM produced by atmospheric processing of organic aerosols may be contributing to or masked by humic-like fluorophores. ?? 2010.

  9. Real-time in vivo tissue characterization with diffuse reflectance spectroscopy during transthoracic lung biopsy: a clinical feasibility study

    NARCIS (Netherlands)

    Spliethoff, Jarich; Prevoo, Warner; Meier, Mark A.J.; de Jong, Jeroen; Evers, Daniel; Evers, Daniel J.; Sterenborg, Hendricus J.C.M.; Lucassen, Gerald; Lucassen, Gerald W.; Hendriks, Benno H.W.; Ruers, Theo J.M.

    2016-01-01

    Purpose: This study presents the first in vivo real-time tissue characterization during image-guided percutaneous lung biopsies using diffuse reflectance spectroscopy (DRS) sensing at the tip of a biopsy needle with integrated optical fibers. Experimental Design: Tissues from 21 consented patients

  10. Characterization of extra-solar planets and their atmospheres (Spectroscopy of transits and atmospheric escape)

    International Nuclear Information System (INIS)

    Bourrier, Vincent

    2014-01-01

    Hot Jupiters are exo-planets so close to their star that their atmosphere can lose gas because of hydrodynamic escape. Transiting gaseous giants are an excellent way to understand this mechanism, but it is necessary to study other types of planets to determine its impact on the exo-planetary population. This thesis aims at using transit spectroscopy to observe the atmosphere of several exo-planets, to study their properties and to contribute to the characterization of hydrodynamic escape. UV lines observed with the Hubble telescope are analyzed with the numerical model of upper atmospheres we developed. Using the Ly-α line we identify energetic and dynamical interactions between the atmospheres of the hot Jupiters HD209458b and HD189733b and their stars. We study the dependence of the escape on the environment of a planet and on its physical properties, through the observation of a super-Earth and a warm Jupiter in the 55 Cnc system. Using observations of HD209458b, we show that magnesium lines are a window on the region of formation of hydrodynamic escape. We study the potential of transit spectroscopy in the near-UV to detect new cases of atmospheric escape. This mechanism is fostered by the proximity of a planet to its star, which makes it even more important to understand the formation and migration processes that can be traced in the alignment of a planetary system. Using measures from the spectrographs HARPS-N and SOPHIE we study the alignments of 55 Cnc e and the Kepler candidate KOI 12.01, whose planetary nature we also seek to validate. (author)

  11. Development and characterization of AlCrN coated Si3N4 ceramic cutting tool

    International Nuclear Information System (INIS)

    Souza, J.V.C.; Nono, M.C.A.; Machado, J.P.B.; Silva, O.M.M.; Sa, F.C.L.

    2010-01-01

    Ceramic cutting tools are showing a growing market perspective in terms of application on machining operations due to their high hardness, wear resistance, and machining without a cutting fluid, therefore are good candidates for cast iron and Nickel superalloys machining. The objective of the present paper was the development of Si 3 N 4 based ceramic cutting insert, characterization of its physical and mechanical properties, and subsequent coating with AlCrN using a PVD method. The characterization of the coating was made using an optical profiler, XRD, AFM and microhardness tester. The results showed that the tool presented a fracture toughness of 6,43 MPa.m 1/2 and hardness of 16 GPa. The hardness reached 31 GPa after coating. The machining tests showed an improvement on work piece roughness when machining with coated insert, in comparison with the uncoated cutting tool. Probably this fact is related to hardness, roughness and topography of AlCrN. (author)

  12. Infrared imaging spectroscopy and chemometric tools for in situ analysis of an imiquimod pharmaceutical preparation presented as cream

    Science.gov (United States)

    Carneiro, Renato Lajarim; Poppi, Ronei Jesus

    2014-01-01

    In the present work the homogeneity of a pharmaceutical formulation presented as a cream was studied using infrared imaging spectroscopy and chemometric methodologies such as principal component analysis (PCA) and multivariate curve resolution with alternating least squares (MCR-ALS). A cream formulation, presented as an emulsion, was prepared using imiquimod as the active pharmaceutical ingredient (API) and the excipients: water, vaseline, an emulsifier and a carboxylic acid in order to dissolve the API. After exposure at 45 °C during 3 months to perform accelerated stability test, the presence of some crystals was observed, indicating homogeneity problems in the formulation. PCA exploratory analysis showed that the crystal composition was different from the composition of the emulsion, since the score maps presented crystal structures in the emulsion. MCR-ALS estimated the spectra of the crystals and the emulsion. The crystals presented amine and C-H bands, suggesting that the precipitate was a salt formed by carboxylic acid and imiquimod. These results indicate the potential of infrared imaging spectroscopy in conjunction with chemometric methodologies as an analytical tool to ensure the quality of cream formulations in the pharmaceutical industry.

  13. Initial surface film on magnesium metal: A characterization by X-ray photoelectron spectroscopy (XPS) and photocurrent spectroscopy (PCS)

    International Nuclear Information System (INIS)

    Santamaria, M.; Di Quarto, F.; Zanna, S.; Marcus, P.

    2007-01-01

    A detailed investigation of the initial film grown on mechanically polished Mg electrodes has been carried out by ex situ X-ray Photoelectron Spectroscopy (XPS) and in situ Photocurrent Spectroscopy (PCS), allowing to reach a detailed picture of the passive layer structure. The XPS data show that the films formed soon after mechanical treatment and immersion in aqueous electrolyte have a bilayer structure, consisting of an ultra-thin MgO inner layer (∼2.5 nm) and a Mg(OH) 2 external layer. The thickness of the Mg(OH) 2 layer is a function of immersion time and solution temperature. After mechanical treatment and immersion in aqueous solution at room temperature, the MgO/Mg(OH) 2 layer in some area of electrodes is so thin to allow an electron photoemission process from the Mg Fermi level to the electrolyte conduction band. Only internal photoemission processes are evidenced for Mg electrodes aged in NaOH at 80 deg. C, due the formation of a thicker Mg(OH) 2 layer. From anodic photocurrent spectra an optical band gap of ∼4.25 eV has been estimated for Mg(OH) 2 , lower with respect to the optical gap of the corresponding anhydrous counterpart

  14. NIR spectroscopy as a tool for discriminating between lichens exposed to air pollution.

    Science.gov (United States)

    Casale, Monica; Bagnasco, Lucia; Giordani, Paolo; Mariotti, Mauro Giorgio; Malaspina, Paola

    2015-09-01

    Lichens are used as biomonitors of air pollution because they are extremely sensitive to the presence of substances that alter atmospheric composition. Fifty-one thalli of two different varieties of Pseudevernia furfuracea (var. furfuracea and var. ceratea) were collected far from local sources of air pollution. Twenty-six of these thalli were then exposed to the air for one month in the industrial port of Genoa, which has high levels of environmental pollution. The possibility of using Near-infrared spectroscopy (NIRS) for generating a 'fingerprint' of lichens was investigated. Chemometric methods were successfully applied to discriminate between samples from polluted and non-polluted areas. In particular, Principal Component Analysis (PCA) was applied as a multivariate display method on the NIR spectra to visualise the data structure. This showed that the difference between samples of different varieties was not significant in comparison to the difference between samples exposed to different levels of environmental pollution. Then Linear Discriminant Analysis (LDA) was carried out to discriminate between lichens based on their exposure to pollutants. The distinction between control samples (not exposed) and samples exposed to the air in the industrial port of Genoa was evaluated. On average, 95.2% of samples were correctly classified, 93.0% of total internal prediction (5 cross-validation groups) and 100.0% of external prediction (on the test set) was achieved. Copyright © 2015 Elsevier Ltd. All rights reserved.

  15. Electrical impedance spectroscopy as a potential tool for recovering bone porosity

    International Nuclear Information System (INIS)

    Bonifasi-Lista, C; Cherkaev, E

    2009-01-01

    This paper deals with the recovery of porosity of bone from measurements of its effective electrical properties. The microstructural information is contained in the spectral measure in the Stieltjes representation of the bone effective complex permittivity or complex conductivity and can be recovered from the measurements over a range of frequencies. The problem of reconstruction of the spectral measure is very ill-posed and requires the use of regularization techniques. We apply the method to the effective electrical properties of cancellous bone numerically calculated using micro-CT images of human vertebrae. The presented method is based on an analytical approach and does not rely on correlation analysis nor on any a priori model of the bone micro-architecture. However the method requires a priori knowledge of the properties of the bone constituents (trabecular tissue and bone marrow). These properties vary from patient to patient. To address this issue, a sensitivity analysis of the technique was performed. Normally distributed random noise was added to the data to simulate uncertainty in the properties of the constituents and possible experimental errors in measurements of the effective properties. The values of porosity calculated from effective complex conductivity are in good agreement with the true values of bone porosity even assuming high level errors in the estimation of the bone components. These results prove the future potential of electrical impedance spectroscopy for in vivo monitoring of level and treatment of osteoporosis.

  16. Thermal Lens Spectroscopy as a 'new' analytical tool for actinide determination in nuclear reprocessing processes

    International Nuclear Information System (INIS)

    Canto, Fabrice; Couston, Laurent; Magnaldo, Alastair; Broquin, Jean-Emmanuel; Signoret, Philippe

    2008-01-01

    Thermal Lens Spectroscopy (TLS) consists of measuring the effects induced by the relaxation of molecules excited by photons. Twenty years ago, the Cea already worked on TLS. Technologic reasons impeded. But, needs in sensitive analytical methods coupled with very low sample volumes (for example, traces of Np in the COEX TM process) and also the reduction of the nuclear wastes encourage us to revisit this method thanks to the improvement of optoelectronic technologies. We can also imagine coupling TLS with micro-fluidic technologies, decreasing significantly the experiments cost. Generally two laser beams are used for TLS: one for the selective excitation by molecular absorption (inducing the thermal lens) and one for probing the thermal lens. They can be coupled with different geometries, collinear or perpendicular, depending on the application and on the laser mode. Also, many possibilities of measurement have been studied to detect the thermal lens signal: interferometry, direct intensities variations, deflection etc... In this paper, one geometrical configuration and two measurements have been theoretically evaluated. For a single photodiode detection (z-scan) the limit of detection is calculated to be near 5*10 -6 mol*L -1 for Np(IV) in dodecane. (authors)

  17. Characterization of control mesoporous glasses (CPGs) using positron annihilation lifetime spectroscopy (PALS)

    Energy Technology Data Exchange (ETDEWEB)

    Sayed Ahmed, Essmat Mahmoud Hassan

    2008-01-30

    This thesis has two main goals. Firstly and for the first time, the positron annihilation lifetime technique (PALS) is used to characterize the control porous glasses (CPGs) media. All the positron annihilation spectroscopy (PAS) investigations have been interested in the commercial Vycor glass media of pores size {<=} 4 nm. Therefore, the PALS is used to establish basic correlations between the important physical properties of the CPG (pore size, surface area, and porosity) and the orthopositronium (o-Ps) lifetime. The second goal is to use these correlations to verify the validity of some suggested models and theories to discover possible deviations from the expected behaviour and to discuss the physical point of view for these deviations. Chapter 1 presents an overview of positron, positronium and their interaction with solid materials. Chapter 2 of this thesis is concerned with characterization of porous glass materials. This chapter discusses in detail the preparation methods of porous glasses specially control porous glass and Vycor glass. The gas adsorption phenomenon in porous glass and the related definitions are discussed. The most important terms of the porous glass such as pore size, shape, volume, pore size distribution, surface area, and porosity are discussed. Chapter 3 presents in detail the well known models and the derived equations which correlate between the lifetime of the o-Ps long-lived component and the pore size, pore shape and the temperature dependence of the porous media. Chapter 4 presents an overview of the main experimental techniques used in this thesis, namely positron annihilation lifetime spectroscopy. Chapter 5 explains the sample preparation for the measurements. The chapter represents also the experimental data for the correlation between the o-Ps lifetime and pore sizes for a system of CPG media (from 1 nm to 64 nm). I also studied the temperature dependence of the o-Ps long-lived component in different pore sizes. In this

  18. Characterization of control mesoporous glasses (CPGs) using positron annihilation lifetime spectroscopy (PALS)

    International Nuclear Information System (INIS)

    Sayed Ahmed, Essmat Mahmoud Hassan

    2008-01-01

    This thesis has two main goals. Firstly and for the first time, the positron annihilation lifetime technique (PALS) is used to characterize the control porous glasses (CPGs) media. All the positron annihilation spectroscopy (PAS) investigations have been interested in the commercial Vycor glass media of pores size ≤ 4 nm. Therefore, the PALS is used to establish basic correlations between the important physical properties of the CPG (pore size, surface area, and porosity) and the orthopositronium (o-Ps) lifetime. The second goal is to use these correlations to verify the validity of some suggested models and theories to discover possible deviations from the expected behaviour and to discuss the physical point of view for these deviations. Chapter 1 presents an overview of positron, positronium and their interaction with solid materials. Chapter 2 of this thesis is concerned with characterization of porous glass materials. This chapter discusses in detail the preparation methods of porous glasses specially control porous glass and Vycor glass. The gas adsorption phenomenon in porous glass and the related definitions are discussed. The most important terms of the porous glass such as pore size, shape, volume, pore size distribution, surface area, and porosity are discussed. Chapter 3 presents in detail the well known models and the derived equations which correlate between the lifetime of the o-Ps long-lived component and the pore size, pore shape and the temperature dependence of the porous media. Chapter 4 presents an overview of the main experimental techniques used in this thesis, namely positron annihilation lifetime spectroscopy. Chapter 5 explains the sample preparation for the measurements. The chapter represents also the experimental data for the correlation between the o-Ps lifetime and pore sizes for a system of CPG media (from 1 nm to 64 nm). I also studied the temperature dependence of the o-Ps long-lived component in different pore sizes. In this

  19. Short communication: Suitability of fluorescence spectroscopy for characterization of commercial milk of different composition and origin.

    Science.gov (United States)

    Ntakatsane, M P; Yang, X Q; Lin, M; Liu, X M; Zhou, P

    2011-11-01

    Thirteen milk brands comprising 76 pasteurized and UHT milk samples of various compositions (whole, reduced fat, skimmed, low lactose, and high protein) were obtained from local supermarkets, and milk samples manufactured in various countries were discriminated using front-face fluorescence spectroscopy (FFFS) coupled with chemometric tools. The emission spectra of Maillard reaction products and riboflavin (MRP/RF; 400 to 600 nm) and tryptophan (300 to 400 nm) were recorded using FFFS, and the excitation wavelengths were set at 360 nm for MRP/RF and 290 nm for tryptophan. Principal component analysis (PCA) was applied to analyze the normalized spectra. The PCA of spectral information from MRP/RF discriminated the milk samples originating in different countries, and PCA of spectral information from tryptophan discriminated the samples according to composition. The fluorescence spectral data were compared with liquid chromatography-mass spectrometry results for the glycation extent of the milk samples, and a positive association (R(2)=0.84) was found between the degree of glycation of α-lactalbumin and the MRP/RF spectral data. This study demonstrates the ability and sensitivity of FFFS to rapidly discriminate and classify commercial milk with various compositions and processing conditions. Copyright © 2011 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

  20. Difference frequency generation spectroscopy as a vibrational optical activity measurement tool.

    Science.gov (United States)

    Cheon, Sangheon; Cho, Minhaeng

    2009-03-19

    Vibrational optical activity (VOA) of chiral molecules in condensed phases can be studied by using vibrational circular dichroism and Raman optical activity measurement techniques. Recently, IR-vis sum frequency generation has shown to be an alternative VOA measurement method. Such a three-wave-mixing method employing a polarization modulation technique can be a potentially useful VOA measurement tool. Here, a theoretical description of difference frequency generation (DFG) employing circularly polarized visible radiations is presented. Frequency scanning to obtain a VOA-DFG spectrum is achieved by controlling the difference between the two electronically nonresonant incident radiation frequencies. If the two incident beams are linearly polarized and their polarization directions are perpendicular to each other, one can selectively measure the all-electric-dipole-allowed chiral component of the DFG susceptibility. In addition, by using circularly polarized beams and taking the DFG difference intensity signal, which is defined as the difference between left and right circularly polarized DFG signals, additional chiral susceptibility components originating from the electric quadrupole transition can be measured. The DFG as a novel VOA measurement technique for solution samples containing chiral molecules will therefore be a useful coherent spectroscopic tool for determining absolute configuration of chiral molecules in condensed phases.

  1. Evaluation of FTIR Spectroscopy as a diagnostic tool for lung cancer using sputum

    Directory of Open Access Journals (Sweden)

    Wills John

    2010-11-01

    Full Text Available Abstract Background Survival time for lung cancer is poor with over 90% of patients dying within five years of diagnosis primarily due to detection at late stage. The main objective of this study was to evaluate Fourier transform infrared spectroscopy (FTIR as a high throughput and cost effective method for identifying biochemical changes in sputum as biomarkers for detection of lung cancer. Methods Sputum was collected from 25 lung cancer patients in the Medlung observational study and 25 healthy controls. FTIR spectra were generated from sputum cell pellets using infrared wavenumbers within the 1800 to 950 cm-1 "fingerprint" region. Results A panel of 92 infrared wavenumbers had absorbances significantly different between cancer and normal sputum spectra and were associated with putative changes in protein, nucleic acid and glycogen levels in tumours. Five prominent significant wavenumbers at 964 cm-1, 1024 cm-1, 1411 cm-1, 1577 cm-1 and 1656 cm-1 separated cancer spectra from normal spectra into two distinct groups using multivariate analysis (group 1: 100% cancer cases; group 2: 92% normal cases. Principal components analysis revealed that these wavenumbers were also able to distinguish lung cancer patients who had previously been diagnosed with breast cancer. No patterns of spectra groupings were associated with inflammation or other diseases of the airways. Conclusions Our results suggest that FTIR applied to sputum might have high sensitivity and specificity in diagnosing lung cancer with potential as a non-invasive, cost-effective and high-throughput method for screening. Trial Registration ClinicalTrials.gov: NCT00899262

  2. Infrared absorption spectroscopy characterization of liquid-solid interfaces: The case of chiral modification of catalysts

    Science.gov (United States)

    Zaera, Francisco

    2018-03-01

    An overview is provided here of our work on the characterization of chiral modifiers for the bestowing of enantioselectivity to metal-based hydrogenation catalysts, with specific reference to the so-called Orito reaction. We start with a brief discussion of the use of infrared absorption spectroscopy (IR) for the characterization of chemical species at liquid-solid interfaces, describing the options available as well as the information that can be extracted from such experiments and the advantages and disadvantages associated with the technique. We then summarize the main results that we have reported to date from our IR study of the adsorption of cinchona alkaloids and related compounds from solutions onto platinum surfaces. Several observations are highlighted and placed in context in terms of the existing knowledge and their relevance to catalysis. Key conclusions include the uniqueness of the nature of the adsorbed species when in the presence of the solvent (versus when the uptake is done under vacuum, or versus the pure or dissolved molecules), the fact that each modifier adopts unique and distinct adsorption geometries on the surface and that those change with the concentration of the solution in ways that correlate well with the performance of the catalyst, the potential tendency of at least some of these chiral modifiers to bind to the surface primarily via the nitrogen atom of the amine group, not the aromatic ring as it is often assumed, and the observation that the ability of one modifier to dominate the catalytic chemistry in solutions containing mixtures of two or more of those is linked to their capacity for displacing each other from the surface, which in turn is determined by a balance between the strength of their binding to the surface and their solubility in the liquid solvent.

  3. Use of positron annihilation spectroscopy for the study and characterization of materials

    International Nuclear Information System (INIS)

    Somoza, Alberto

    1998-01-01

    In this work the potentiality of positron annihilation spectroscopy (PAS) for the study and characterization of materials is presented, the physical principles of the electron-positron annihilation process is described, as well as the experimental techniques to measure such process. The greatest application fields of positron techniques are the study of electronic structures and defects in condensed matter. The quality of the information obtained suggests that PAS techniques could turn into an alternative of great importance to undertake the study of different material properties. During the development of this work, special emphasis was put on PAS application to the study of defects in metals and alloys, where it was shown the great sensibility of positrons to vacancies type-defects covering the range between mono vacancies and clusters that contain between 50 and 100 vacancies, for a concentration range between 10 -4 and 10 -7 at. -1 . Such range is below the sizes that can be visualized through electron microscopy. This high sensibility is, in turn, one of PAS limitations for the study of greater size defects. Also the positrons are insensible to defects such as interstitials, which present an electron density greater than the average. The development of slow positron beams that enable the study of spatial distribution of defects has permitted to complement PAS conventional techniques. In this way the joint use of the different positron techniques provides complete information about the nature, concentration and distribution of defects in solids

  4. Electrical Impedance Spectroscopy for Electro-Mechanical Characterization of Conductive Fabrics

    Directory of Open Access Journals (Sweden)

    Tushar Kanti Bera

    2014-06-01

    Full Text Available When we use a conductive fabric as a pressure sensor, it is necessary to quantitatively understand its electromechanical property related with the applied pressure. We investigated electromechanical properties of three different conductive fabrics using the electrical impedance spectroscopy (EIS. We found that their electrical impedance spectra depend not only on the electrical properties of the conductive yarns, but also on their weaving structures. When we apply a mechanical tension or compression, there occur structural deformations in the conductive fabrics altering their apparent electrical impedance spectra. For a stretchable conductive fabric, the impedance magnitude increased or decreased under tension or compression, respectively. For an almost non-stretchable conductive fabric, both tension and compression resulted in decreased impedance values since the applied tension failed to elongate the fabric. To measure both tension and compression separately, it is desirable to use a stretchable conductive fabric. For any conductive fabric chosen as a pressure-sensing material, its resistivity under no loading conditions must be carefully chosen since it determines a measurable range of the impedance values subject to different amounts of loadings. We suggest the EIS method to characterize the electromechanical property of a conductive fabric in designing a thin and flexible fabric pressure sensor.

  5. Characterization of transition metal-containing oxide systems by Mössbauer Spectroscopy

    Directory of Open Access Journals (Sweden)

    Z. Homonnay

    2004-12-01

    Full Text Available High-temperature (high-Tc superconductors and colossal magnetoresistant (CMR materials belong to the most promising materials of the past 2-3 decades for technical applications. Most of them are oxides and the crucial element which determines their useful physical properties is often a transition metal (Cu, Co, Fe, Mn. 57Fe Mössbauer Spectroscopy can be used to characterize the electronic and structural properties of transition metal-containing oxides by providing information on the local electronic structure of the lattice site where the Mössbauer probe is accommodated. By reviewing several Mössbauer studies, it is demonstrated how the layered (2D electronic structure of high-Tc superconductors can be deduced from the analysis of the Mössbauer isomer shift and quadrupole splitting. We also show how the Mössbauer isomer shift indicates metallicity of the ferromagnetic phase in the CMR material LaxSr1-xCoO3.

  6. Characterization of underground storage tank sludge using fourier transform infrared photoacoustic spectroscopy

    International Nuclear Information System (INIS)

    Luo, S.; Bajic, S.J.; Jones, R.W.

    1994-01-01

    Analysis of underground storage tank (UST) contents is critical for the determination of proper disposal protocols and storage procedures of nuclear waste materials. Tank volume reduction processes during the 1940's and 50's have produced a waste form that compositionally varies widely and has a consistency that ranges from paste like sludge to saltcake. The heterogeneity and chemical reactivity of the waste form makes analysis difficult by most conventional methods which require extensive sample preparation. In this paper, a method is presented to characterize nuclear waste from UST's at the Westinghouse Hanford Site in Washington State, using Fourier transform infrared-photoacoustic spectroscopy (FTIR-PAS). FTIR-PAS measurements on milligram amounts of surrogate sludge samples have been used to accurately identify phosphate, sulfate, nitrite, nitrate and ferrocyanide components. A simple sample preparation method was followed to provide a reproducible homogeneous sample for quantitative analysis. The sample preparation method involved freeze drying the sludge sample prior to analysis to prevent the migration of soluble species. Conventional drying (e.g., air or, oven) leads to the formation of crystals near the surface where evaporation occurs. Sample preparation as well as the analytical utility of this method will be discussed

  7. Characterization of Glutaredoxin Fe-S Cluster-Binding Interactions Using Circular Dichroism Spectroscopy.

    Science.gov (United States)

    Albetel, Angela-Nadia; Outten, Caryn E

    2018-01-01

    Monothiol glutaredoxins (Grxs) with a conserved Cys-Gly-Phe-Ser (CGFS) active site are iron-sulfur (Fe-S) cluster-binding proteins that interact with a variety of partner proteins and perform crucial roles in iron metabolism including Fe-S cluster transfer, Fe-S cluster repair, and iron signaling. Various analytical and spectroscopic methods are currently being used to monitor and characterize glutaredoxin Fe-S cluster-dependent interactions at the molecular level. The electronic, magnetic, and vibrational properties of the protein-bound Fe-S cluster provide a convenient handle to probe the structure, function, and coordination chemistry of Grx complexes. However, some limitations arise from sample preparation requirements, complexity of individual techniques, or the necessity for combining multiple methods in order to achieve a complete investigation. In this chapter, we focus on the use of UV-visible circular dichroism spectroscopy as a fast and simple initial approach for investigating glutaredoxin Fe-S cluster-dependent interactions. © 2018 Elsevier Inc. All rights reserved.

  8. Characterizing Active Pharmaceutical Ingredient Binding to Human Serum Albumin by Spin-Labeling and EPR Spectroscopy.

    Science.gov (United States)

    Hauenschild, Till; Reichenwallner, Jörg; Enkelmann, Volker; Hinderberger, Dariush

    2016-08-26

    Drug binding to human serum albumin (HSA) has been characterized by a spin-labeling and continuous-wave (CW) EPR spectroscopic approach. Specifically, the contribution of functional groups (FGs) in a compound on its albumin-binding capabilities is quantitatively described. Molecules from different drug classes are labeled with EPR-active nitroxide radicals (spin-labeled pharmaceuticals (SLPs)) and in a screening approach CW-EPR spectroscopy is used to investigate HSA binding under physiological conditions and at varying ratios of SLP to protein. Spectral simulations of the CW-EPR spectra allow extraction of association constants (KA ) and the maximum number (n) of binding sites per protein. By comparison of data from 23 SLPs, the mechanisms of drug-protein association and the impact of chemical modifications at individual positions on drug uptake can be rationalized. Furthermore, new drug modifications with predictable protein binding tendency may be envisaged. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Helium implanted Eurofer97 characterized by positron beam Doppler broadening and Thermal Desorption Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Carvalho, I., E-mail: i.carvalho@m2i.nl [Materials Innovation Institute (M2i), Delft (Netherlands); Schut, H. [Delft University of Technology, Faculty of Applied Sciences, Delft (Netherlands); Fedorov, A.; Luzginova, N. [Nuclear Research and Consultancy Group (NRG), Petten (Netherlands); Desgardin, P. [CEMHTI-CNRS, 3A Rue de la Férolerie, 45071 Orléans Cedex (France); Sietsma, J. [Delft University of Technology, Faculty of Mechanical, Maritime and Materials Engineering, Delft (Netherlands)

    2013-11-15

    Reduced Activation Ferritic/Martensitic steels are being extensively studied because of their foreseen application in fusion and Generation IV fission reactors. To produce irradiation induced defects, Eurofer97 samples were implanted with helium at energies of 500 keV and 2 MeV and doses of 1 × 10{sup 15}–10{sup 16} He/cm{sup 2}, creating atomic displacements in the range 0.07–0.08 dpa. The implantation induced defects were characterized by positron beam Doppler Broadening (DB) and Thermal Desorption Spectroscopy (TDS). Results show that up to ∼600 K peaks that can be attributed to He desorption from overpressured He{sub n}V{sub m} (n > m) clusters and vacancy assisted mechanism in the case of helium in the substitutional position. The temperature range 600–1200 K is related to the formation of larger clusters He{sub n}V{sub m} (n < m). The dissociation of the HeV and the phase transition attributed to a sharp peak in the TDS spectra at 1200 K. Above this temperature, the release of helium from bubbles is observed.

  10. Quantitative methods for structural characterization of proteins based on deep UV resonance Raman spectroscopy.

    Science.gov (United States)

    Shashilov, Victor A; Sikirzhytski, Vitali; Popova, Ludmila A; Lednev, Igor K

    2010-09-01

    Here we report on novel quantitative approaches for protein structural characterization using deep UV resonance Raman (DUVRR) spectroscopy. Specifically, we propose a new method combining hydrogen-deuterium (HD) exchange and Bayesian source separation for extracting the DUVRR signatures of various structural elements of aggregated proteins including the cross-beta core and unordered parts of amyloid fibrils. The proposed method is demonstrated using the set of DUVRR spectra of hen egg white lysozyme acquired at various stages of HD exchange. Prior information about the concentration matrix and the spectral features of the individual components was incorporated into the Bayesian equation to eliminate the ill-conditioning of the problem caused by 100% correlation of the concentration profiles of protonated and deuterated species. Secondary structure fractions obtained by partial least squares (PLS) and least squares support vector machines (LS-SVMs) were used as the initial guess for the Bayessian source separation. Advantages of the PLS and LS-SVMs methods over the classical least squares calibration (CLSC) are discussed and illustrated using the DUVRR data of the prion protein in its native and aggregated forms. Copyright (c) 2010 Elsevier Inc. All rights reserved.

  11. Characterization of Nuclear Materials in extreme conditions: the Raman spectroscopy approach

    International Nuclear Information System (INIS)

    Guimbretiere, G.; Canizares, A.; Simon, P.; Raimboux, N.; Ammar, M.R.; Duval, F.; Omnee, R.; Maslova, O.; Barthe, M.F.; Desgranges, L.; Caraballo, R.; Jegou, C.

    2013-06-01

    In this article, we review our last advances on the Raman spectroscopy characterization of irradiated and/or leached UO 2 , PuO 2 and (U, Pu)O 2 samples. For this, three original Raman setups dedicated to the study of nuclear materials were involved. In all cases, irradiation was observed inducing the appearance of Raman defect bands in the 500-750 cm -1 range. For UO 2 , annealing temperature experiment suggests that these defect bands may be the signatures of a medium range structured defect. Besides, the leaching experiments show different behavior between the in situ probed UO 2 ceramic and post mortem probed [UO 2 + (U, Pu)O 2 ] sample: In the first case we observed the growth of an altered layer made of studtite and schoepite phases. In the second we observed, in one hand the creation of U 3 O 8 and studtite phases at the surface of the UO 2 grains, in second hand no Raman signatures of any layer at the surface of the (U, Pu)O 2 grains. (authors)

  12. Characterization and forensic analysis of soil samples using laser-induced breakdown spectroscopy (LIBS).

    Science.gov (United States)

    Jantzi, Sarah C; Almirall, José R

    2011-07-01

    A method for the quantitative elemental analysis of surface soil samples using laser-induced breakdown spectroscopy (LIBS) was developed and applied to the analysis of bulk soil samples for discrimination between specimens. The use of a 266 nm laser for LIBS analysis is reported for the first time in forensic soil analysis. Optimization of the LIBS method is discussed, and the results compared favorably to a laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS) method previously developed. Precision for both methods was LIBS limits of detection were LIBS method successfully discriminated samples from two different sites in Dade County, FL. Analysis of variance, Tukey's post hoc test and Student's t test resulted in 100% discrimination with no type I or type II errors. Principal components analysis (PCA) resulted in clear groupings of the two sites. A correct classification rate of 99.4% was obtained with linear discriminant analysis using leave-one-out validation. Similar results were obtained when the same samples were analyzed by LA-ICP-MS, showing that LIBS can provide similar information to LA-ICP-MS. In a forensic sampling/spatial heterogeneity study, the variation between sites, between sub-plots, between samples and within samples was examined on three similar Dade sites. The closer the sampling locations, the closer the grouping on a PCA plot and the higher the misclassification rate. These results underscore the importance of careful sampling for geographic site characterization.

  13. Characterization of insoluble organic matter in primitive meteorites by microRaman spectroscopy

    Science.gov (United States)

    Busemann, Henner; Alexander, M. O'd.; Nittler, Larry R.

    2007-08-01

    We have analyzed the chemically and isotopically well-characterized insoluble organic matter (IOM) extracted from 51 unequilibrated chondrites (8 CR, 9 CM, 1 CI, 3 ungrouped C, 9 CO, 9 CV, 10 ordinary, 1 CB and 1 E chondrites) using confocal imaging Raman spectroscopy. The average Raman properties of the IOM, as parameterized by the peak characteristics of the so-called D and G bands, which originate from aromatic C rings, show systematic trends that are correlated with meteorite (sub-) classification and IOM chemical compositions. Processes that affect the Raman and chemical properties of the IOM, such as thermal metamorphism experienced on the parent bodies, terrestrial weathering and amorphization due to irradiation in space, have been identified. We established separate sequences of metamorphism for ordinary, CO, oxidized, and reduced CV chondrites. Several spectra from the most primitive chondrites reveal the presence of organic matter that has been amorphized. This amorphization, usually the result of sputtering processes or UV or particle irradiation, could have occurred during the formation of the organic material in interstellar or protoplanetary ices or, less likely, on the surface of the parent bodies or during the transport of the meteorites to Earth. D band widths and peak metamorphic temperatures are strongly correlated, allowing for a straightforward estimation of these temperatures.

  14. Characterization of Cs vapor cell coated with octadecyltrichlorosilane using coherent population trapping spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Hafiz, Moustafa Abdel; Maurice, Vincent; Chutani, Ravinder; Passilly, Nicolas; Gorecki, Christophe; Boudot, Rodolphe [FEMTO-ST, CNRS, UFC, 26 Chemin de l' Epitaphe, 25030 Besançon Cedex (France); Guérandel, Stéphane; Clercq, Emeric de [LNE-SYRTE, Observatoire de Paris, CNRS, UPMC, 61 avenue de l' Observatoire, 75014 Paris (France)

    2015-05-14

    We report the realization and characterization using coherent population trapping (CPT) spectroscopy of an octadecyltrichlorosilane (OTS)-coated centimeter-scale Cs vapor cell. The dual-structure of the resonance lineshape, with presence of a narrow structure line at the top of a Doppler-broadened structure, is clearly observed. The linewidth of the narrow resonance is compared to the linewidth of an evacuated Cs cell and of a buffer gas Cs cell of similar size. The Cs-OTS adsorption energy is measured to be (0.42 ± 0.03) eV, leading to a clock frequency shift rate of 2.7 × 10{sup −9}/K in fractional unit. A hyperfine population lifetime, T{sub 1}, and a microwave coherence lifetime, T{sub 2}, of 1.6 and 0.5 ms are reported, corresponding to about 37 and 12 useful bounces, respectively. Atomic-motion induced Ramsey narrowing of dark resonances is observed in Cs-OTS cells by reducing the optical beam diameter. Ramsey CPT fringes are detected using a pulsed CPT interrogation scheme. Potential applications of the Cs-OTS cell to the development of a vapor cell atomic clock are discussed.

  15. Characterization of Shock Effects in Calcite by Raman Spectroscopy: Results of Experiments

    Science.gov (United States)

    Bell, M. S.

    2016-01-01

    Carbonates comprise approx. 20% by volume of present day Earth's sedimentary rocks and store most of the terrestrial CO2 inventory. Some of the oldest meta-sedimentary rocks found on Earth contain abundant carbonate from which impact-induced release of CO2 could have played a role in the formation and evolution of the atmosphere. Carbonates are also present in the target materials for approx. 30% of all terrestrial impact structures including large impacts such as Chicxulub which happened to occur at a location with extraordinarily thick platform carbonate 3-6 km deep. The impact release of CO2 from carbonates can cause global warming as a result of the well-known greenhouse effect and have subsequent effects on climate and biota. Therefore, the shock behavior of calcite is important in understanding the Cretaceous-Paleogene event and other impacts with carbonate-bearing sediments in their target(s) such as Mars and some asteroids. A comprehensive survey utilizing a variety of techniques to characterize the effects manifest in Calcite (Iceland Spar) experimentally shocked to 60.8 GPa has been completed. Results of analysis by Raman Spectroscopy are reported here.

  16. Characterization of Cs vapor cell coated with octadecyltrichlorosilane using coherent population trapping spectroscopy

    International Nuclear Information System (INIS)

    Hafiz, Moustafa Abdel; Maurice, Vincent; Chutani, Ravinder; Passilly, Nicolas; Gorecki, Christophe; Boudot, Rodolphe; Guérandel, Stéphane; Clercq, Emeric de

    2015-01-01

    We report the realization and characterization using coherent population trapping (CPT) spectroscopy of an octadecyltrichlorosilane (OTS)-coated centimeter-scale Cs vapor cell. The dual-structure of the resonance lineshape, with presence of a narrow structure line at the top of a Doppler-broadened structure, is clearly observed. The linewidth of the narrow resonance is compared to the linewidth of an evacuated Cs cell and of a buffer gas Cs cell of similar size. The Cs-OTS adsorption energy is measured to be (0.42 ± 0.03) eV, leading to a clock frequency shift rate of 2.7 × 10 −9 /K in fractional unit. A hyperfine population lifetime, T 1 , and a microwave coherence lifetime, T 2 , of 1.6 and 0.5 ms are reported, corresponding to about 37 and 12 useful bounces, respectively. Atomic-motion induced Ramsey narrowing of dark resonances is observed in Cs-OTS cells by reducing the optical beam diameter. Ramsey CPT fringes are detected using a pulsed CPT interrogation scheme. Potential applications of the Cs-OTS cell to the development of a vapor cell atomic clock are discussed

  17. Surface characterization of IM7/5260 composites by x-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Ohno, Satomi; Lee, Moon-Hwan; Lin, Kuen Y.; Ohuchi, Fumio S.

    2001-01-01

    Surfaces of high-performance carbon fiber/bismeleimide (BMI) composites (IM7/5260) have been characterized by x-ray photoelectron spectroscopy. An experimental technique to separately examine the chemical natures of the carbon fibers and BMI resin in the composite form was developed. This technique uses a flood gun to establish differential charging conditions on the BMI resin. The binding energies from the BMI resin were shifted by an amount of voltage applied to the flood gun, whereas those from the carbon fibers were uniquely determined due to their electrically conducting nature. By adding external bias voltage to the sample, the binding energies for conducting fibers were further shifted from those of the BMI resin, thereby separating the IM7 phase completely from the BMI phase in the binding energy scale, allowing independent measurement of the chemical changes associated with those peaks. Using this technique, the effects of thermal aging and surface plasma treatment on the IM7/5260 composite were studied

  18. Plume Characterization of a Laboratory Model 22 N GPIM Thruster via High-Frequency Raman Spectroscopy

    Science.gov (United States)

    Williams, George J.; Kojima, Jun J.; Arrington, Lynn A.; Deans, Matthew C.; Reed, Brian D.; Kinzbach, McKenzie I.; McLean, Christopher H.

    2015-01-01

    The Green Propellant Infusion Mission (GPIM) will demonstrate the capability of a green propulsion system, specifically, one using the monopropellant, AF-M315E. One of the risks identified for GPIM is potential contamination of sensitive areas of the spacecraft from the effluents in the plumes of AF-M315E thrusters. Plume characterization of a laboratory-model 22 N thruster via optical diagnostics was conducted at NASA GRC in a space-simulated environment. A high-frequency pulsed laser was coupled with an electron-multiplied ICCD camera to perform Raman spectroscopy in the near-field, low-pressure plume. The Raman data yielded plume constituents and temperatures over a range of thruster chamber pressures and as a function of thruster (catalyst) operating time. Schlieren images of the near-field plume enabled calculation of plume velocities and revealed general plume structure of the otherwise invisible plume. The measured velocities are compared to those predicted by a two-dimensional, kinetic model. Trends in data and numerical results are presented from catalyst mid-life to end-of-life. The results of this investigation were coupled with the Raman and Schlieren data to provide an anchor for plume impingement analysis presented in a companion paper. The results of both analyses will be used to improve understanding of the nature of AF-M315E plumes and their impacts to GPIM and other future missions.

  19. Metabolomic Characterization of Ovarian Epithelial Carcinomas by HRMAS-NMR Spectroscopy

    Directory of Open Access Journals (Sweden)

    D. Ben Sellem

    2011-01-01

    Full Text Available Objectives. The objectives of the present study are to determine if a metabolomic study by HRMAS-NMR can (i discriminate between different histological types of epithelial ovarian carcinomas and healthy ovarian tissue, (ii generate statistical models capable of classifying borderline tumors and (iii establish a potential relationship with patient's survival or response to chemotherapy. Methods. 36 human epithelial ovarian tumor biopsies and 3 healthy ovarian tissues were studied using 1H HRMAS NMR spectroscopy and multivariate statistical analysis. Results. The results presented in this study demonstrate that the three histological types of epithelial ovarian carcinomas present an effective metabolic pattern difference. Furthermore, a metabolic signature specific of serous (N-acetyl-aspartate and mucinous (N-acetyl-lysine carcinomas was found. The statistical models generated in this study are able to predict borderline tumors characterized by an intermediate metabolic pattern similar to the normal ovarian tissue. Finally and importantly, the statistical model of serous carcinomas provided good predictions of both patient's survival rates and the patient's response to chemotherapy. Conclusions. Despite the small number of samples used in this study, the results indicate that metabolomic analysis of intact tissues by HRMAS-NMR is a promising technique which might be applicable to the therapeutic management of patients.

  20. Characterization of Lactococcus lactis response to ampicillin and ciprofloxacin using surface-enhanced Raman spectroscopy.

    Science.gov (United States)

    Wang, Panxue; Pang, Shintaro; Zhang, Hua; Fan, Mingtao; He, Lili

    2016-01-01

    Decades of antibiotic use or misuse has resulted in antibiotic resistance in lactic acid bacteria, a group of common culture starters and probiotic microorganisms. This has urged researchers to study how lactic acid bacteria respond to antibiotics, so as to have a better strategy to identify and predict the antibiotic-resistant bacteria. This study aimed to characterize the biochemical profiles of Lactococcus lactis responding to antibiotics using surface-enhanced Raman spectroscopy (SERS). Lactococcus lactis exposed to antibiotics was mixed with 50-nm gold nanoparticles for subsequent SERS measurements. The SERS spectra analyzed by principal component analysis showed no significant change after 30 min of antibiotic treatment, whereas distinct changes were clearly observed after 60 and 90 min of antibiotic treatment. Different antibiotics induced different spectral changes, and these changes revealed the detailed biochemical information of cellular responses. This study demonstrates that the SERS method developed not only senses the changes in the bacterial cell wall, but also reveals details of the biochemical profiles, which help us to understand how lactic acid bacteria respond to antibiotics, as well as to set a base for the detection of antibiotic susceptibility of bacteria by SERS.

  1. Characterizing and Authenticating Montilla-Moriles PDO Vinegars Using Near Infrared Reflectance Spectroscopy (NIRS Technology

    Directory of Open Access Journals (Sweden)

    María-José De la Haba

    2014-02-01

    Full Text Available This study assessed the potential of near infrared (NIR spectroscopy as a non-destructive method for characterizing Protected Designation of Origin (PDO “Vinagres de Montilla-Moriles” wine vinegars and for classifying them as a function of the manufacturing process used. Three spectrophotometers were evaluated for this purpose: two monochromator instruments (Foss NIRSystems 6500 SY-I and Foss NIRSystems 6500 SY-II; spectral range 400–2,500 nm in both cases and a diode-array instrument (Corona 45 VIS/NIR; spectral range 380–1,700 nm. A total of 70 samples were used to predict major chemical quality parameters (total acidity, fixed acidity, volatile acidity, pH, dry extract, ash, acetoin, methanol, total polyphenols, color (tonality and intensity, and alcohol content, and to construct models for the classification of vinegars as a function of the manufacturing method used. The results obtained indicate that this non-invasive technology can be used successfully by the vinegar industry and by PDO regulators for the routine analysis of vinegars in order to authenticate them and to detect potential fraud. Slightly better results were achieved with the two monochromator instruments. The findings also highlight the potential of these NIR instruments for predicting the manufacturing process used, this being of particular value for the industrial authentication of traditional wine vinegars.

  2. The use of laser-induced plasma spectroscopy technique for the characterization of boiler tubes

    International Nuclear Information System (INIS)

    Nicolas, G.; Mateo, M.P.; Yanez, A.

    2007-01-01

    The present work focuses on the characterization of boiler tube walls using laser-induced plasma spectroscopy technique with visual inspection by optical and scanning electron microscopy of the cross-sections of these tubes. In a watertube boiler, water runs through tubes that are surrounded by a heating source. As a result, the water is heated to very high temperatures, causing accumulation of deposits on the inside surfaces of the tubes. These deposits play an important role in the efficiency of the boiler tube because they produce a reduction of the boiler heat rate and an increase in the number of tube failures. The objectives are to determine the thickness and arrangement of deposits located on the highest heat area of the boiler and compare them with tube parts where the heat flux is lower. The major deposits found were copper and magnetite. These deposits come mainly from the boiler feedwater and from the reaction between iron and water, and they do not form on the tube walls at a uniform rate over time. Their amount depends on the areas where they are collected. A Nd:YAG laser operating at 355 nm has been used to perform laser-induced plasma spectra and depth profiles of the deposits

  3. The use of laser-induced plasma spectroscopy technique for the characterization of boiler tubes

    Science.gov (United States)

    Nicolas, G.; Mateo, M. P.; Yañez, A.

    2007-12-01

    The present work focuses on the characterization of boiler tube walls using laser-induced plasma spectroscopy technique with visual inspection by optical and scanning electron microscopy of the cross-sections of these tubes. In a watertube boiler, water runs through tubes that are surrounded by a heating source. As a result, the water is heated to very high temperatures, causing accumulation of deposits on the inside surfaces of the tubes. These deposits play an important role in the efficiency of the boiler tube because they produce a reduction of the boiler heat rate and an increase in the number of tube failures. The objectives are to determine the thickness and arrangement of deposits located on the highest heat area of the boiler and compare them with tube parts where the heat flux is lower. The major deposits found were copper and magnetite. These deposits come mainly from the boiler feedwater and from the reaction between iron and water, and they do not form on the tube walls at a uniform rate over time. Their amount depends on the areas where they are collected. A Nd:YAG laser operating at 355 nm has been used to perform laser-induced plasma spectra and depth profiles of the deposits.

  4. Thermal Analysis, FT-IR Spectroscopy and Optical Microscopy as a Tool for Characterization of Marble

    Czech Academy of Sciences Publication Activity Database

    Plevová, Eva; Kožušníková, Alena; Vaculíková, Lenka

    2009-01-01

    Roč. 5, č. 9 (2009), s. 149-150 ISSN 1336-7242. [Zjazd chemikov /61./. 07.09.2009-11.09.2009, Tatranské Matliare] R&D Projects: GA ČR GP105/07/P416; GA ČR GA105/08/1398 Institutional research plan: CEZ:AV0Z30860518 Keywords : marbles * thermal analysis * thermomechanical analysis Subject RIV: CB - Analytical Chemistry, Separation

  5. Surface Enhanced Raman Spectroscopy (SERS) and multivariate analysis as a screening tool for detecting Sudan I dye in culinary spices

    Science.gov (United States)

    Di Anibal, Carolina V.; Marsal, Lluís F.; Callao, M. Pilar; Ruisánchez, Itziar

    2012-02-01

    Raman spectroscopy combined with multivariate analysis was evaluated as a tool for detecting Sudan I dye in culinary spices. Three Raman modalities were studied: normal Raman, FT-Raman and SERS. The results show that SERS is the most appropriate modality capable of providing a proper Raman signal when a complex matrix is analyzed. To get rid of the spectral noise and background, Savitzky-Golay smoothing with polynomial baseline correction and wavelet transform were applied. Finally, to check whether unadulterated samples can be differentiated from samples adulterated with Sudan I dye, an exploratory analysis such as principal component analysis (PCA) was applied to raw data and data processed with the two mentioned strategies. The results obtained by PCA show that Raman spectra need to be properly treated if useful information is to be obtained and both spectra treatments are appropriate for processing the Raman signal. The proposed methodology shows that SERS combined with appropriate spectra treatment can be used as a practical screening tool to distinguish samples suspicious to be adulterated with Sudan I dye.

  6. X-ray absorption spectroscopy: EXAFS and XANES - A versatile tool to study the atomic and electronic structure of materials

    International Nuclear Information System (INIS)

    Alp, E.E.; Mini, S.M.; Ramanathan, M.

    1990-01-01

    X-ray absorption spectroscopy (XAS) had been an essential tool to gather spectroscopic information about atomic energy level structure in the early decades of this century. The correct interpretation of the oscillatory structure in the x-ray absorption cross-section above the absorption edge has transformed XAS from a spectroscopic tool to a structural technique. EXAFS (Extended X-ray Absorption Fine Structure) yields information about the interatomic distances, near neighbor coordination numbers, and lattice dynamics. XANES (X-ray Absorption Near Edge Structure), on the other hand, gives information about the valence state, energy bandwidth and bond angles. Today, there are about 50 experimental stations in various synchrotrons around the world dedicated to collecting x-ray absorption data from the bulk and surfaces of solids and liquids. In this chapter, they will give the basic principles of XAS, explain the information content of essentially two different aspects of the absorption process leading to EXAFS and XANES, and discuss the source and sample limitations

  7. Intra-annual wave resource characterization for energy exploitation: A new decision-aid tool

    International Nuclear Information System (INIS)

    Carballo, R.; Sánchez, M.; Ramos, V.; Fraguela, J.A.; Iglesias, G.

    2015-01-01

    Highlights: • A decision-aid tool is developed for computing the monthly performance of WECs. • It allows the generation of high-resolution monthly characterization matrices. • The decision-aid tool is implemented to the Death Coast (N Spain). • The monthly matrices can be obtained at any coastal location within the Death Coast. • The tool is applied to a coastal location of a proposed wave farm. - Abstract: The wave energy resource is usually characterized by a significant variability throughout the year. In estimating the power performance of a Wave Energy Converter (WEC) it is fundamental to take into account this variability; indeed, an estimate based on mean annual values may well result in a wrong decision making. In this work, a novel decision-aid tool, iWEDGE (intra-annual Wave Energy Diagram GEnerator) is developed and implemented to a coastal region of interest, the Death Coast (Spain), one of the regions in Europe with the largest wave resource. Following a comprehensive procedure, and based on deep water wave data and high-resolution numerical modelling, this tool provides the monthly high-resolution characterization matrices (or energy diagrams) for any location of interest. In other words, the information required for the accurate computation of the intra-annual performance of any WEC at any location within the region covered is made available. Finally, an application of iWEDGE to the site of a proposed wave farm is presented. The results obtained highlight the importance of the decision-aid tool herein provided for wave energy exploitation

  8. Femtosecond photoelectron spectroscopy: a new tool for the study of anion dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Greenblatt, Benjamin J. [Univ. of California, Berkeley, CA (United States)

    1999-02-01

    A new experimental technique for the time-resolved study of anion reactions is presented. Using femtosecond laser pulses, which provide extremely fast (~100 fs) time resolution, in conjunction with photoelectron spectroscopy, which reveals differences between anion and neutral potential energy surfaces, a complex anion reaction can be followed from its inception through the formation of asymptotic products. Experimental data can be modeled quantitatively using established theoretical approaches, allowing for the refinement of potential energy surfaces as well as dynamical models. After a brief overview, a detailed account of the construction of the experimental apparatus is presented. Documentation of the data acquisition program is contained in the Appendix. The first experimental demonstration of the technique is then presented for I2- photodissociation, modeled using a simulation program which is also detailed in the Appendix. The investigation of I2- photodissociation in several size-selected I2-(Ar)n (n = 6-20) and I2-(CO2)n (n = 4-16) clusters forms the heart of the dissertation. In a series of chapters, the numerous effects of solvation on this fundamental bond-breaking reaction are explored, the most notable of which is the recombination of I2- on the ground $\\tilde{X}$(2Σu+) state in sufficiently large clusters. Recombination and trapping of I2- on the excited $\\tilde{A}$(2π3/2,g) state is also observed in both types of clusters. The studies have revealed electronic state transitions, the first step in recombination, on a ~500 fs to ~10 ps timescale. Accompanying the changes in electronic state is solvent reorganization, which occurs on a similar timescale. Over longer periods (~1 ps to >200 ps), energy is transferred from vibrationally

  9. Autofluorescence spectroscopy and imaging: a tool for biomedical research and diagnosis

    Directory of Open Access Journals (Sweden)

    A.C. Croce

    2014-10-01

    Full Text Available Native fluorescence, or autofluorescence (AF, consists in the emission of light in the UV-visible, near-IR spectral range when biological substrates are excited with light at suitable wavelength. This is a well-known phenomenon, and the strict relationship of many endogenous fluorophores with morphofunctional properties of the living systems, influencing their AF emission features, offers an extremely powerful resource for directly monitoring the biological substrate condition. Starting from the last century, the technological progresses in microscopy and spectrofluorometry were convoying attention of the scientific community to this phenomenon. In the future, the interest in the autofluorescence will certainly continue. Current instrumentation and analytical procedures will likely be overcome by the unceasing progress in new devices for AF detection and data interpretation, while a progress is expected in the search and characterization of endogenous fluorophores and their roles as intrinsic biomarkers.

  10. Characterization of full set material constants of piezoelectric materials based on ultrasonic method and inverse impedance spectroscopy using only one sample.

    Science.gov (United States)

    Li, Shiyang; Zheng, Limei; Jiang, Wenhua; Sahul, Raffi; Gopalan, Venkatraman; Cao, Wenwu

    2013-09-14

    The most difficult task in the characterization of complete set material properties for piezoelectric materials is self-consistency. Because there are many independent elastic, dielectric, and piezoelectric constants, several samples are needed to obtain the full set constants. Property variation from sample to sample often makes the obtained data set lack of self-consistency. Here, we present a method, based on pulse-echo ultrasound and inverse impedance spectroscopy, to precisely determine the full set physical properties of piezoelectric materials using only one small sample, which eliminated the sample to sample variation problem to guarantee self-consistency. The method has been applied to characterize the [001] C poled Mn modified 0.27Pb(In 1/2 Nb 1/2 )O 3 -0.46Pb(Mg 1/3 Nb 2/3 )O 3 -0.27PbTiO 3 single crystal and the validity of the measured data is confirmed by a previously established method. For the inverse calculations using impedance spectrum, the stability of reconstructed results is analyzed by fluctuation analysis of input data. In contrast to conventional regression methods, our method here takes the full advantage of both ultrasonic and inverse impedance spectroscopy methods to extract all constants from only one small sample. The method provides a powerful tool for assisting novel piezoelectric materials of small size and for generating needed input data sets for device designs using finite element simulations.

  11. Inline UV/Vis spectroscopy as PAT tool for hot-melt extrusion.

    Science.gov (United States)

    Wesholowski, Jens; Prill, Sebastian; Berghaus, Andreas; Thommes, Markus

    2018-01-11

    Hot-melt extrusion on co-rotating twin screw extruders is a focused technology for the production of pharmaceuticals in the context of Quality by Design. Since it is a continuous process, the potential for minimizing product quality fluctuation is enhanced. A typical application of hot-melt extrusion is the production of solid dispersions, where an active pharmaceutical ingredient (API) is distributed within a polymer matrix carrier. For this dosage form, the product quality is related amongst others to the drug content. This can be monitored on- or inline as critical quality attribute by a process analytical technology (PAT) in order to meet the specific requirements of Quality by Design. In this study, an inline UV/Vis spectrometer from ColVisTec was implemented in an early development twin screw extruder and the performance tested in accordance to the ICH Q2 guideline. Therefore, two API (carbamazepine and theophylline) and one polymer matrix (copovidone) were considered with the main focus on the quantification of the drug load. The obtained results revealed the suitability of the implemented PAT tool to quantify the drug load in a typical range for pharmaceutical applications. The effort for data evaluation was minimal due to univariate data analysis, and in combination with a measurement frequency of 1 Hz, the system is sufficient for real-time data acquisition.

  12. Application of fluorescence spectroscopy for dissolved organic matter characterization in constructed wetlands

    Science.gov (United States)

    Sardana, A.; Aziz, T. N.; Cottrell, B. A.

    2017-12-01

    In this presentation we will discuss our ongoing work to characterize the photochemical behavior of dissolved organic matter (DOM) from wastewater treated in constructed wetlands. We have used a suite of spectroscopic and chromatographic techniques to characterize the DOM and to quantify the potential production of reactive oxygenated species (ROS). In the present study, DOM was fractionated based on its hydrophobicity and both the natural water isolates and fractionated DOM were characterized using SUVA254, spectral slope ratios, excitation emission matrix fluorescence spectroscopy (EEMs) and proton nuclear magnetic resonance (1H NMR). Photodegradation of wetland DOM and the formation of the hydroxyl radical (*OH), singlet oxygen (1O2), and the triplet-excited state (3DOM*) was also determined to assess the reactivity of DOM. EEM spectra exhibited the four main fluorescence peaks that are characteristic of DOM: peak A humic-like DOM, Peak C (fulvic or chromophoric DOM), Peak M (marine-like DOM), and peak T (tryptophan or protein-like absorbance). Two additional observed peaks with shorter emission wavelengths (A' Ex/Em = 243/278 nm and T' Ex/Em = 272/319 nm) were attributed to the microbial DOM in wastewater effluent. The spectral slope ratios decreased from 1.46 at the wetland inlet to 0.89 at the wetland outlet. The protein-like Peak T fluorescence decreased from 50% at the wetland inlet to 6.7% at the Wetland 2 outlet. A negative correlation between the percent fluorescence of Peak T and Peaks A, C and M confirmed the transition from the spectrum of pure wastewater with a primarily protein-like signature to a spectrum characteristic of terrestrially derived DOM. This transition coincided with enhanced formation rates and steady state concentrations of photochemically produced reactive intermediates (PPRIs). Size Exclusion Chromatography demonstrated that the influent wastewater had a lower molecular weight as compared to downstream wetland locations

  13. Diffusion-weighted imaging and proton MR spectroscopy in the characterization of acute disseminated encephalomyelitis

    International Nuclear Information System (INIS)

    Balasubramanya, K.S.; Kovoor, J.M.E.; Jayakumar, P.N.; Ravishankar, S.; Kamble, R.B.; Panicker, J.; Nagaraja, D.

    2007-01-01

    Acute disseminated encephalomyelitis (ADEM) is usually a monophasic illness characterized by multiple lesions involving gray and white matter. Quantitative MR techniques were used to characterize and stage these lesions. Eight patients (seven males and one female; mean age 19 years, range 5 to 36 years) were studied using conventional MRI (T2- and T1-weighted and FLAIR sequences), diffusion-weighted imaging (DWI) and proton magnetic resonance spectroscopy (MRS). Apparent diffusion coefficient (ADC) values and MRS ratios were calculated for the lesion and for normal-appearing white matter (NAWM). Three patients were imaged in the acute stage (within 7 days of the onset of neurological symptoms) and five in the subacute stage (after 7 days from the onset of symptoms). ADC values in NAWM were in the range 0.7-1.24 x 10 -3 mm/s 2 (mean 0.937 ± 0.17 mm/s 2 ). ADC values of ADEM lesions in the acute stage were in the range 0.37-0.68 x 10 -3 mm/s 2 (mean 0.56 ± 0.16 mm/s 2 ) and 1.01-1.31 x 10 -3 mm/s 2 (mean 1.24 ± 0.13 mm/s 2 ) in the subacute stage. MRS ratios were obtained for all patients. NAA/Cho ratios were in the range 1.1-3.5 (mean 1.93 ± 0.86) in the NAWM. NAA/Cho ratios within ADEM lesions in the acute stage were in the range 0.63-1.48 (mean 1.18 ± 0.48) and 0.29-0.84 (mean 0.49 ± 0.22) in the subacute stage. The ADC values, NAA/Cho and Cho/Cr ratios were significantly different between lesions in the acute and subacute stages (P < 0.001, P < 0.027, P < 0.047, respectively). ADC values were significantly different between lesions in the acute (P < 0.009) and subacute stages (P < 0.005) with NAWM. In addition, NAA/Cho and Cho/Cr ratios were significantly different between lesions in the subacute stage and NAWM (P < 0.006, P < 0.007, respectively). ADEM lesions were characterized in the acute stage by restricted diffusion and in the subacute stage by free diffusion and a decrease in NAA/Cho ratios. Restricted diffusion and progressive decrease in NAA

  14. Diffusion-weighted imaging and proton MR spectroscopy in the characterization of acute disseminated encephalomyelitis

    Energy Technology Data Exchange (ETDEWEB)

    Balasubramanya, K.S.; Kovoor, J.M.E.; Jayakumar, P.N.; Ravishankar, S.; Kamble, R.B. [National Institute of Mental Health and Neurosciences, Department of Neuroimaging and Interventional Radiology, Bangalore, Karnataka (India); Panicker, J.; Nagaraja, D. [National Institute of Mental Health and Neurosciences, Department of Neurology, Bangalore (India)

    2007-02-15

    Acute disseminated encephalomyelitis (ADEM) is usually a monophasic illness characterized by multiple lesions involving gray and white matter. Quantitative MR techniques were used to characterize and stage these lesions. Eight patients (seven males and one female; mean age 19 years, range 5 to 36 years) were studied using conventional MRI (T2- and T1-weighted and FLAIR sequences), diffusion-weighted imaging (DWI) and proton magnetic resonance spectroscopy (MRS). Apparent diffusion coefficient (ADC) values and MRS ratios were calculated for the lesion and for normal-appearing white matter (NAWM). Three patients were imaged in the acute stage (within 7 days of the onset of neurological symptoms) and five in the subacute stage (after 7 days from the onset of symptoms). ADC values in NAWM were in the range 0.7-1.24 x 10{sup -3} mm/s{sup 2} (mean 0.937 {+-} 0.17 mm/s{sup 2}). ADC values of ADEM lesions in the acute stage were in the range 0.37-0.68 x 10{sup -3} mm/s{sup 2} (mean 0.56 {+-} 0.16 mm/s{sup 2}) and 1.01-1.31 x 10{sup -3} mm/s{sup 2} (mean 1.24 {+-} 0.13 mm/s{sup 2}) in the subacute stage. MRS ratios were obtained for all patients. NAA/Cho ratios were in the range 1.1-3.5 (mean 1.93 {+-} 0.86) in the NAWM. NAA/Cho ratios within ADEM lesions in the acute stage were in the range 0.63-1.48 (mean 1.18 {+-} 0.48) and 0.29-0.84 (mean 0.49 {+-} 0.22) in the subacute stage. The ADC values, NAA/Cho and Cho/Cr ratios were significantly different between lesions in the acute and subacute stages (P < 0.001, P < 0.027, P < 0.047, respectively). ADC values were significantly different between lesions in the acute (P < 0.009) and subacute stages (P < 0.005) with NAWM. In addition, NAA/Cho and Cho/Cr ratios were significantly different between lesions in the subacute stage and NAWM (P < 0.006, P < 0.007, respectively). ADEM lesions were characterized in the acute stage by restricted diffusion and in the subacute stage by free diffusion and a decrease in NAA/Cho ratios

  15. Radiation-induced defects in chalcogenide glasses characterized by combined optical spectroscopy, XPS and PALS methods

    International Nuclear Information System (INIS)

    Shpotyuk, O.; Kovalskiy, A.; Jain, H.; Golovchak, R.; Zurawska, A.

    2007-01-01

    Temperature-dependent optical absorption spectroscopy, high-resolution X-ray photoelectron spectroscopy and positron annihilation lifetimes spectroscopy are utilized to understand radiation-induced changes in Ge-Sb-S chalcogenide glasses. Theoretically predicted topological scheme of γ-induced coordination defect formation in stoichiometric Ge 23.5 Sb 11.8 S 64.7 glass composition is supported by these measurements. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  16. Characterization of laser-induced breakdown spectroscopy (LIBS) for application to space exploration

    Energy Technology Data Exchange (ETDEWEB)

    Knight, Andrew K. [Group CST-1, MS J565, Chemical Science and Technology Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Scherbarth, Nancy L. [Group CST-1, MS J565, Chemical Science and Technology Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Cremers, David A. [Group CST-1, MS J565, Chemical Science and Technology Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Ferris, Monty J. [Group CST-1, MS J565, Chemical Science and Technology Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)

    2000-03-01

    Early in the next century, several space missions are planned with the goal of landing craft on asteroids, comets, the Moon, and Mars. To increase the scientific return of these missions, new methods are needed to provide (1) significantly more analyses per mission lifetime, and (2) expanded analytical capabilities. One method that has the potential to meet both of these needs for the elemental analysis of geological samples is laser-induced breakdown spectroscopy (LIBS). These capabilities are possible because the laser plasma provides rapid analysis and the laser pulse can be focused on a remotely located sample to perform a stand-off measurement. Stand-off is defined as a distance up to 20 m between the target and laser. Here we present the results of a characterization of LIBS for the stand-off analysis of soils at reduced air pressures and in a simulated Martian atmosphere (5-7 torr pressure of CO{sub 2}) showing the feasibility of LIBS for space exploration. For example, it is demonstrated that an analytically useful laser plasma can be generated at distances up to 19 m by using only 35 mJ/pulse from a compact laser. Some characteristics of the laser plasma at reduced pressure were also investigated. Temporally and spectrally resolved imaging showed significant changes in the plasma as the pressure was reduced and also showed that the analyte signals and mass ablated from a target were strongly dependent on pressure. As the pressure decreased from 590 torr to the 40-100 torr range, the signals increased by a factor of about 3-4, and as the pressure was further reduced the signals decreased. This behavior can be explained by pressure-dependent changes in the mass of material vaporized and the frequency of collisions between species in the plasma. Changes in the temperature and the electron density of the plasmas with pressure were also examined and detection limits for selected elements were determined. (c) 2000 Society for Applied Spectroscopy.

  17. Characterization of laser-induced breakdown spectroscopy (LIBS) for application to space exploration

    International Nuclear Information System (INIS)

    Knight, Andrew K.; Scherbarth, Nancy L.; Cremers, David A.; Ferris, Monty J.

    2000-01-01

    Early in the next century, several space missions are planned with the goal of landing craft on asteroids, comets, the Moon, and Mars. To increase the scientific return of these missions, new methods are needed to provide (1) significantly more analyses per mission lifetime, and (2) expanded analytical capabilities. One method that has the potential to meet both of these needs for the elemental analysis of geological samples is laser-induced breakdown spectroscopy (LIBS). These capabilities are possible because the laser plasma provides rapid analysis and the laser pulse can be focused on a remotely located sample to perform a stand-off measurement. Stand-off is defined as a distance up to 20 m between the target and laser. Here we present the results of a characterization of LIBS for the stand-off analysis of soils at reduced air pressures and in a simulated Martian atmosphere (5-7 torr pressure of CO 2 ) showing the feasibility of LIBS for space exploration. For example, it is demonstrated that an analytically useful laser plasma can be generated at distances up to 19 m by using only 35 mJ/pulse from a compact laser. Some characteristics of the laser plasma at reduced pressure were also investigated. Temporally and spectrally resolved imaging showed significant changes in the plasma as the pressure was reduced and also showed that the analyte signals and mass ablated from a target were strongly dependent on pressure. As the pressure decreased from 590 torr to the 40-100 torr range, the signals increased by a factor of about 3-4, and as the pressure was further reduced the signals decreased. This behavior can be explained by pressure-dependent changes in the mass of material vaporized and the frequency of collisions between species in the plasma. Changes in the temperature and the electron density of the plasmas with pressure were also examined and detection limits for selected elements were determined. (c) 2000 Society for Applied Spectroscopy

  18. Characterization of vacancy type defects in Electronic Materials by Positron Lifetime and Age-Momentum Correlation Spectroscopy

    Science.gov (United States)

    Suzuki, Ryoichi; Ohdaira, Toshiyuki

    2002-03-01

    Positron annihilation spectroscopy is known to be sensitive to vacancy type defects. At the National Institute of Advanced Industrial Science and Technology (AIST) Japan, the authors have developed a measurement system which enables us to perform depth-selective positron annihilation lifetime spectroscopy (PALS) and positron age-momentum correlation (AMOC) spectroscopy with an intense slow positron beam. PALS gives us information on the size of vacancies whereas AMOC gives us information on not only vacancy sizes but also impurities or chemical environments. Using this system, we have carried out defect characterization experiments on various electronic materials, e.g. ion implanted Si, SiO2/Si, MOS, CVD or SOD (spin-on-dielectric) grown low dielectric insulator films, etc.

  19. Development and characterization of Si3N4 coated AlCrN ceramic cutting tool

    International Nuclear Information System (INIS)

    Souza, J.V.C.; Nono, M.C.A.; Martins, G.V.; Machado, J.P.B.; Silva, O.M.M.

    2009-01-01

    Nowadays, silicon nitride based cutting tools are used to machine cast iron from the automotive industry and nickel superalloys from the aero industries. Advances in manufacturing technologies (increased cutting speeds, dry machining, etc.) induced the fast commercial growth of physical vapor deposition (PVD) coatings for cutting tools, in order to increase their life time. In this work, a new composition of the Si 3 N 4 ceramic cutting tool was developed, characterized and subsequently coated, using a PVD process, with aluminum chromium nitride (AlCrN). The Si 3 N 4 substrate properties were analyzed by XRD, AFM, hardness and fracture toughness. The AlCrN coating was analyzed by AFM, grazing incidence X-ray diffraction (GIXRD) and hardness. The results showed that this PVD coating could be formed homogeneously, without cracks and promoted a higher surface hardness to the insert and consequently it can produce a better wear resistance during its application on high speed machining. (author)

  20. Characterization of metallic nanoparticles by high-resolution X-ray absorption and X-ray emission spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Kuehn, Timna-Josua

    2012-03-15

    In almost all areas of technology, metallic nanoparticles are of interest due to their special thermal, electronic, magnetic and optical properties. Their special properties are mainly due to their small size which implies the relevance of quantum effects as well as the significance of the surface: For 2 nm nanoparticles, the surface-to-volume ratio is already 1:1. However, the identification of surface-to-volume interactions - that are responsible for the new properties - is a difficult task due to the small size that inhibits a lot of 'standard' techniques to be applicable. Here X-ray absorption/emission spectroscopy (XAS/XES) is a favorable tool for the characterization of nanoparticles, independent on size, degree of crystallinity and shape/condition of the surface. Using XAS, a tempered nanosized Co{sub 3}Pt/C catalyst have been investigated. Its outstanding oxygen-reduction reaction (ORR) properties in a fuel cell could be related to a lowered Pt 5d-band center connected to a tightened Pt-Pt bonding distance, leading to a weakening of the oxygen adsorption strength so that the ORR may proceed faster. One drawback remains, however, as the properties found by (standard) XAS are summed up for different chemical environments of the chosen element. Thus, no distinction can be made between, e.g., the pure metal in a nanoparticles' interior and the ligated metal in the outer shells or surface. Here, high-resolution fluorescence-detected XAS (HRFD-XAS) provides additional opportunities as, due to its chemical sensitivity, it leads to site-selective XAS. For a system of 6 nm sized Co nanoparticles, build up of a metallic core surrounded by a protecting shell, that resulted from the 'smooth oxidation' process, this technique of site-selective XAS was proven to be applicable. For the first time, the interior and outer shell of a metallic nanoparticle could be characterized separately. In particular, the Co-hcp phase could be determined for the

  1. Limitations of fluorescence spectroscopy to characterize organic matter in engineered systems

    Science.gov (United States)

    Korak, J.

    2017-12-01

    Fluorescence spectroscopy has been widely used to characterize dissolved organic matter (DOM) in engineered systems, such as drinking water, municipal wastewater and industrial water treatment. While fluorescence data collected in water treatment applications has led to the development of strong empirical relationships between fluorescence responses and process performance, the use of fluorescence to infer changes in the underlying organic matter chemistry is often oversimplified and applied out of context. Fluorescence only measures a small fraction of DOM as fluorescence quantum yields are less than 5% for many DOM sources. Relying on fluorescence as a surrogate for DOM presence, character or reactivity may not be appropriate for systems where small molecular weight, hydrophilic constituents unlikely to fluoresce are important. In addition, some methods rely on interpreting fluorescence signals at different excitation wavelengths as a surrogate for operationally-defined humic- and fulvic-acids in lieu of traditional XAD fractionation techniques, but these approaches cannot be supported by other lines of evidence considering natural abundance and fluorescence quantum yields of these fractions. These approaches also conflict with parallel factor analysis (PARAFAC), a statistical approach that routinely identifies fluorescence components with dual excitation behavior. Lastly, methods developed for natural systems are often applied out of context to engineered systems. Fluorescence signals characteristic of phenols or indoles are often interpreted as indicators for biological activity in natural systems due to fluorescent amino acids and peptides, but this interpretation is may not be appropriate in engineering applications where non-biological sources of phenolic functional groups may be present. This presentation explores common fluorescence interpretation approaches, discusses the limitations and provides recommendations related to engineered systems.

  2. X-ray Absorption Spectroscopy Characterization of Electrochemical Processes in Renewable Energy Storage and Conversion Devices

    Energy Technology Data Exchange (ETDEWEB)

    Farmand, Maryam [George Washington Univ., Washington, DC (United States)

    2013-05-19

    The development of better energy conversion and storage devices, such as fuel cells and batteries, is crucial for reduction of our global carbon footprint and improving the quality of the air we breathe. However, both of these technologies face important challenges. The development of lower cost and better electrode materials, which are more durable and allow more control over the electrochemical reactions occurring at the electrode/electrolyte interface, is perhaps most important for meeting these challenges. Hence, full characterization of the electrochemical processes that occur at the electrodes is vital for intelligent design of more energy efficient electrodes. X-ray absorption spectroscopy (XAS) is a short-range order, element specific technique that can be utilized to probe the processes occurring at operating electrode surfaces, as well for studying the amorphous materials and nano-particles making up the electrodes. It has been increasingly used in recent years to study fuel cell catalysts through application of the and #916; and mgr; XANES technique, in combination with the more traditional X-ray Absorption Near Edge Structure (XANES) and Extended X-ray Absorption Fine Structure (EXAFS) techniques. The and #916; and mgr; XANES data analysis technique, previously developed and applied to heterogeneous catalysts and fuel cell electrocatalysts by the GWU group, was extended in this work to provide for the first time space resolved adsorbate coverages on both electrodes of a direct methanol fuel cell. Even more importantly, the and #916; and mgr; technique was applied for the first time to battery relevant materials, where bulk properties such as the oxidation state and local geometry of a cathode are followed.

  3. Characterization of Modified Tapioca Starch in Atmospheric Argon Plasma under Diverse Humidity by FTIR Spectroscopy

    Science.gov (United States)

    Deeyai, P.; Suphantharika, M.; Wongsagonsup, R.; Dangtip, S.

    2013-01-01

    Tapioca is economical crop grown in Thailand and continues to be one of the major sources of starch. Nowadays, tapioca starch has been widely used in industrial applications, however the native form of starch has limited the applications. Thus scientists try to modify the properties of starch for increasing the stability of the granules, pastes to low pH, heat, and shear during the food process. We modify the tapioca starch by plasma treatment under an argon atmosphere. The degree of modification is determined by following water content in the starch granules. The tablet samples of native starch are also prepared and compared with the plasma treated starch. Before plasma treatment, the starch tablets are stored under three different relative humilities (RH) including 11%, 68%, and 78%RH, respectively. The samples are characterized using FTIR spectroscopy associated with the degree of cross-linking. The results show that the water molecules are engulfed into the starch structure in two ways, a tight bond and a weak absorption of water molecules which is represented at two wave number of 1630 cm-1 and 3272 cm-1, respectively. The degree of cross-linking can be identified from the relative intensity of these two peaks with the C—O—H peak at 993 cm-1. The results show that the degree of cross-linking increase in the plasma treated starch. The degree of cross-linking of the treated starch with high relative humidity is less than that of the treated starch with low relative humidity.

  4. Characterization of Modified Tapioca Starch in Atmospheric Argon Plasma under Diverse Humidity by FTIR Spectroscopy

    International Nuclear Information System (INIS)

    Deeyai, P.; Suphantharika, M.; Wongsagonsup, R.; Dangtip, S.

    2013-01-01

    Tapioca is economical crop grown in Thailand and continues to be one of the major sources of starch. Nowadays, tapioca starch has been widely used in industrial applications, however the native form of starch has limited the applications. Thus scientists try to modify the properties of starch for increasing the stability of the granules, pastes to low pH, heat, and shear during the food process. We modify the tapioca starch by plasma treatment under an argon atmosphere. The degree of modification is determined by following water content in the starch granules. The tablet samples of native starch are also prepared and compared with the plasma treated starch. Before plasma treatment, the starch tablets are stored under three different relative humilities (RH) including 11%, 68%, and 78%RH, respectively. The samples are characterized using FTIR spectroscopy associated with the degree of cross-linking. The results show that the water molecules are engulfed into the starch structure in two ways, a tight bond and a weak absorption of water molecules which is represented at two wave number of 1630 cm −1 and 3272 cm −1 , respectively. The degree of cross-linking can be identified from the relative intensity of these two peaks with the C—O—H peak at 993 cm −1 . The results show that the degree of cross-linking increase in the plasma treated starch. The degree of cross-linking of the treated starch with high relative humidity is less than that of the treated starch with low relative humidity

  5. In-situ characterization of meat aging with diode-laser Raman spectroscopy

    Science.gov (United States)

    Schmidt, Heinar; Blum, Jenny; Sowoidnich, Kay; Sumpf, Bernd; Schwägele, Fredi; Kronfeldt, Heinz-Detlef

    2009-05-01

    Due to the narrow linewidth signals and its fingerprinting nature, Raman spectra provide information about the molecular structure and composition of the samples. In this paper, the applicability of Raman spectroscopy is shown for the in-situ characterization of the aging of meat. Miniaturized diode lasers are utilized as light sources with excitation wavelengths of 671 nm and 785 nm with a view to the development of a portable field device for meat. As test sample, musculus longissimus dorsi from pork was taken. The chops were stored refrigerated at 5 °C and Raman spectra were measured daily from slaughter up to three weeks. Throughout the entire period of one month, the Raman spectra preserve the basic spectral features identifying the samples as meat. More specific, the spectra exhibit gradual changes of the Raman signals and they show a time-dependent modification of the background signal which arises from a laser-induced fluorescence (LIF). To analyze the time-correlation of the complex spectra, multivariate statistical methods are employed. By means of principal components analysis (PCA) a distinction of spectra is found on the time scale between day 8 and 10. This corresponds to the transition from ripened meat to meat at and beyond the limit of inedibility. After ca. 10 days of storage at 5 °C the microbial load is overwhelming and LIF increases. The results of the Raman measurements depending on the storage time of meat are discussed in the context of reference analyses which have been performed in parallel.

  6. Characterization of combustion chamber products by core-level photoabsorption spectroscopy

    International Nuclear Information System (INIS)

    Kellar, S.A.; Huff, W.R.A.; Moler, E.J.

    1997-01-01

    The lubricating performance of motor oil is adversely affected by the carbon soot contamination that is a natural by-product of the combustion process. Particularly in diesel engines, open-quote blow-by close-quote is a problem that greatly decreases the longevity of the engine-lubricating oil. Motor oil manufacturers spend considerable resources developing new oil formulations that counteract the adverse affects of this combustion soot. At present, the only effective way to test new formulations is in a working engine. This process is obviously expensive and not especially efficient. In this ongoing work in collaboration with Chevron Research and Technology, the authors goal is to find a form of carbon that chemically resembles the soot created by the open-quote blow-by close-quote in a diesel engine. The chemically correct soot substitute can be used in bench tests to replace the expensive full motor testing for new formulations. The final testing would still be done in the test motors but only with promising candidates. To these ends, Near Edge X-ray Adsorption spectroscopy Extended Fine Structure (NEXAFS) is an attractive technique in that it has chemical specificity through the core-level binding energy and because it probes the chemically important unoccupied molecular orbitals of the material. Core-level photoabsorption has been used to characterize the empty electronic states of a wide variety of materials. Specifically, the near-edge region of the photoabsorption process has been used to determine the relative quantity of sp 2 and sp 3 bonding in carbon films. The samples were fine grained powders pressed into pellets. The C(1s) absorption spectra were collected from each sample by measuring the total electron yield from the sample as a function of photon energy. The absorption intensity was normalized to the incoming photon flux by measuring the photoyield from a fine gold mesh

  7. Spontaneous hemodynamic oscillations during human sleep and sleep stage transitions characterized with near-infrared spectroscopy.

    Directory of Open Access Journals (Sweden)

    Tiina Näsi

    Full Text Available Understanding the interaction between the nervous system and cerebral vasculature is fundamental to forming a complete picture of the neurophysiology of sleep and its role in maintaining physiological homeostasis. However, the intrinsic hemodynamics of slow-wave sleep (SWS are still poorly known. We carried out 30 all-night sleep measurements with combined near-infrared spectroscopy (NIRS and polysomnography to investigate spontaneous hemodynamic behavior in SWS compared to light (LS and rapid-eye-movement sleep (REM. In particular, we concentrated on slow oscillations (3-150 mHz in oxy- and deoxyhemoglobin concentrations, heart rate, arterial oxygen saturation, and the pulsation amplitude of the photoplethysmographic signal. We also analyzed the behavior of these variables during sleep stage transitions. The results indicate that slow spontaneous cortical and systemic hemodynamic activity is reduced in SWS compared to LS, REM, and wakefulness. This behavior may be explained by neuronal synchronization observed in electrophysiological studies of SWS and a reduction in autonomic nervous system activity. Also, sleep stage transitions are asymmetric, so that the SWS-to-LS and LS-to-REM transitions, which are associated with an increase in the complexity of cortical electrophysiological activity, are characterized by more dramatic hemodynamic changes than the opposite transitions. Thus, it appears that while the onset of SWS and termination of REM occur only as gradual processes over time, the termination of SWS and onset of REM may be triggered more abruptly by a particular physiological event or condition. The results suggest that scalp hemodynamic changes should be considered alongside cortical hemodynamic changes in NIRS sleep studies to assess the interaction between the autonomic and central nervous systems.

  8. Raman spectroscopy as a tool to investigate the structure and electronic properties of carbon-atom wires

    Directory of Open Access Journals (Sweden)

    Alberto Milani

    2015-02-01

    Full Text Available Graphene, nanotubes and other carbon nanostructures have shown potential as candidates for advanced technological applications due to the different coordination of carbon atoms and to the possibility of π-conjugation. In this context, atomic-scale wires comprised of sp-hybridized carbon atoms represent ideal 1D systems to potentially downscale devices to the atomic level. Carbon-atom wires (CAWs can be arranged in two possible structures: a sequence of double bonds (cumulenes, resulting in a 1D metal, or an alternating sequence of single–triple bonds (polyynes, expected to show semiconducting properties. The electronic and optical properties of CAWs can be finely tuned by controlling the wire length (i.e., the number of carbon atoms and the type of termination (e.g., atom, molecular group or nanostructure. Although linear, sp-hybridized carbon systems are still considered elusive and unstable materials, a number of nanostructures consisting of sp-carbon wires have been produced and characterized to date. In this short review, we present the main CAW synthesis techniques and stabilization strategies and we discuss the current status of the understanding of their structural, electronic and vibrational properties with particular attention to how these properties are related to one another. We focus on the use of vibrational spectroscopy to provide information on the structural and electronic properties of the system (e.g., determination of wire length. Moreover, by employing Raman spectroscopy and surface enhanced Raman scattering in combination with the support of first principles calculations, we show that a detailed understanding of the charge transfer between CAWs and metal nanoparticles may open the possibility to tune the electronic structure from alternating to equalized bonds.

  9. X-ray absorption fine structure (XAFS) spectroscopy: a tool for structural studies in material sciences (abstract)

    International Nuclear Information System (INIS)

    Akhtar, M.J.

    2011-01-01

    XAFS spectroscopy has revealed itself as a powerful technique for structural characterization of the local atomic environment of individual atomic species, including bond distances, coordination numbers and type of nearest neighbors surrounding the central atom. This technique is particularly useful for materials that show considerable structural and chemical disorder. XAFS spectroscopy has found extensive applications in determining the local atomic and electronic structure of the absorbing centers (atoms) in the materials science, physics, chemistry, biology and geophysics. X-ray absorption edges contain a variety of information on the chemical state and the local structure of the absorbing atom. On the higher energy side of an absorption edge fine structure is observed due to backscattering of the emitted photoelectron. The post-edge region can be divided into two parts. The X-ray Absorption Near Edge Structure (XANES) which extends up to 50 eV of an absorption edge, the spectrum is interpreted in terms of the appropriate components of the local density of states, which would be expected to be sensitive to the valence state of the atom. The intensity, shape and location of the absorption edge features provide information on the valence state, electronic structure and coordination geometry of the absorbing atom.The Extended X-ray Absorption Fine Structure (EXAFS) region is dominated by the single scattering processes and extends up to 1000 eV above the edge and provides information on the radial distribution (coordination number, radial distance and type of neighboring atoms) around the central atom. The results on perovskite based and spinel ferrites systems will be presented, where valence state and cation distributions are determined; the present study will show focus on SrFeO/sub 3/, MnFe/sub 2/O/sub 4/ and Zn/sub 1-x/Ni/sub x/Fe/sub 2/O/sub 4/ materials. (author)

  10. Characterization of plant-derived carbon and phosphorus in lakes by sequential fractionation and NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Shasha [College of Water Sciences, Beijing Normal University, Beijing 100875 (China); State Key Laboratory of Environment Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012 (China); Zhu, Yuanrong, E-mail: zhuyuanrong07@mails.ucas.ac.cn [State Key Laboratory of Environment Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012 (China); Wu, Fengchang, E-mail: wufengchang@vip.skleg.cn [State Key Laboratory of Environment Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012 (China); Meng, Wei [State Key Laboratory of Environment Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012 (China); He, Zhongqi [USDA-ARS Southern Regional Research Center, 1100 Robert E Lee Blvd, New Orleans, LA 70124 (United States); Giesy, John P. [State Key Laboratory of Environment Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012 (China); Department of Biomedical and Veterinary Biosciences and Toxicology Centre, University of Saskatchewan, Saskatoon, Saskatchewan (Canada)

    2016-10-01

    Although debris from aquatic macrophytes is one of the most important endogenous sources of organic matter (OM) and nutrients in lakes, its biogeochemical cycling and contribution to internal load of nutrients in eutrophic lakes are still poorly understood. In this study, sequential fractionation by H{sub 2}O, 0.1 M NaOH and 1.0 M HCl, combined with {sup 13}C and {sup 31}P NMR spectroscopy, was developed and used to characterize organic carbon (C) and phosphorus (P) in six aquatic plants collected from Tai Lake (Ch: Taihu), China. Organic matter, determined by total organic carbon (TOC), was unequally distributed in H{sub 2}O (21.2%), NaOH (29.9%), HCl (3.5%) and residual (45.3%) fractions. For P in debris of aquatic plants, 53.3% was extracted by H{sub 2}O, 31.9% by NaOH, and 11% by HCl, with 3.8% in residual fractions. Predominant OM components extracted by H{sub 2}O and NaOH were carbohydrates, proteins and aliphatic acids. Inorganic P (P{sub i}) was the primary form of P in H{sub 2}O fractions, whereas organic P (P{sub o}) was the primary form of P in NaOH fractions. The subsequent HCl fractions extracted fewer species of C and P. Some non-extractable carbohydrates, aromatics and metal phytate compounds remained in residual fractions. Based on sequential extraction and NMR analysis, it was proposed that those forms of C (54.7% of TOC) and P (96.2% of TP) in H{sub 2}O, NaOH and HCl fractions are potentially released to overlying water as labile components, while those in residues are stable and likely preserved in sediments of lakes. These results will be helpful in understanding internal loading of nutrients from debris of aquatic macrophytes and their recycling in lakes. - Highlights: • Sequential fractionation combined with NMR analysis was applied on aquatic plants. • Labile and stable C and P forms in aquatic plants were characterized. • 54.7% of OM and 96.2% of P in aquatic plants are potentially available. • 45.3% of OM and 3.8% of P in aquatic

  11. Characterization of the intergrain and surface properties of Y1Ba2Cu3O7-x by Raman spectroscopy

    International Nuclear Information System (INIS)

    Erle, A.; Blumenroder, S.; Guntherodt, G.

    1989-01-01

    The intergrain region of polycrystalline YBa 2 Cu 3 O 7 - x has been identified by Raman spectroscopy as due to BaCuO 2 , which forms a coating of the grains. The oxygen concentration near the surface of single crystals (within ∼ 1000 Angstrom penetration depth of the light) is characterized by the intensity of the 590-cm - 1 oxygen vibration along the Cu-O chains

  12. Characterization of gold nanoparticle films: Rutherford backscattering spectroscopy, scanning electron microscopy with image analysis, and atomic force microscopy

    Directory of Open Access Journals (Sweden)

    Pia C. Lansåker

    2014-10-01

    Full Text Available Gold nanoparticle films are of interest in several branches of science and technology, and accurate sample characterization is needed but technically demanding. We prepared such films by DC magnetron sputtering and recorded their mass thickness by Rutherford backscattering spectroscopy. The geometric thickness dg—from the substrate to the tops of the nanoparticles—was obtained by scanning electron microscopy (SEM combined with image analysis as well as by atomic force microscopy (AFM. The various techniques yielded an internally consistent characterization of the films. In particular, very similar results for dg were obtained by SEM with image analysis and by AFM.

  13. Uniqueness plots: A simple graphical tool for identifying poor peak fits in X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Singh, Bhupinder; Diwan, Anubhav; Jain, Varun; Herrera-Gomez, Alberto; Terry, Jeff; Linford, Matthew R.

    2016-01-01

    Highlights: • Uniqueness plots are introduced as a new tool for identifying poor XPS peak fits. • Uniqueness plots are demonstrated on real XPS data sets. • A horizontal line in a uniqueness plot indicates a poor fit, i.e., fit parameter correlation. • A parabolic shape in a uniqueness plot indicates that a fit may be appropriate. - Abstract: Peak fitting is an essential part of X-ray photoelectron spectroscopy (XPS) narrow scan analysis, and the Literature contains both good and bad examples of peak fitting. A common cause of poor peak fitting is the inclusion of too many fit parameters, often without a sound chemical and/or physical basis for them, and/or the failure to reasonably constrain them. Under these conditions, fit parameters are often correlated, and therefore lacking in statistical meaning. Here we introduce the uniqueness plot as a simple graphical tool for identifying bad peak fits in XPS, i.e., fit parameter correlation. These plots are widely used in spectroscopic ellipsometry. We illustrate uniqueness plots with two data sets: a C 1s narrow scan from ozone-treated carbon nanotube forests and an Si 2p narrow scan from an air-oxidized silicon wafer. For each fit, we consider different numbers of parameters and constraints on them. As expected, the uniqueness plots are parabolic when fewer fit parameters and/or more constraints are applied. However, they fan out and eventually become horizontal lines as more unconstrained parameters are included in the fits. Uniqueness plots are generated by plotting the chi squared (χ 2 ) value for a fit vs. a systematically varied value of a parameter in the fit. The Abbe criterion is also considered as a figure of merit for uniqueness plots in the Supporting Information. We recommend that uniqueness plots be used by XPS practitioners for identifying inappropriate peak fits.

  14. FTIR spectroscopy as an alternative tool for high gamma dose dosimetry using P(VDF-TrFE) fluorinated copolymers

    Energy Technology Data Exchange (ETDEWEB)

    Medeiros, Adriana S.; Liz, Otavio S., E-mail: asm@cdtn.b [Universidade Federal de Minas Gerais (DEN/UFMG), Belo Horizonte, MG (Brazil). Dept. de Engenharia Nuclear; Faria, Luiz O., E-mail: farialo@cdtn.b [Centro de Desenvolvimento da Tecnologia Nuclear (CDTN/CNEN-MG), Belo Horizonte, MG (Brazil)

    2011-07-01

    Poly(vinylidene fluoride) [PVDF] is a semicrystalline homopolymer and some of its fluorinated copolymer has demonstrated to have sensitiveness to high doses of ionizing radiation. We have recently proposed a semicrystalline fluorinated PVDF copolymer, the poly(vinylidene-trifluorethylene) [P(VDF-TrFE], as a candidate for measuring larger dose ranges. In fact, in these copolymers the optical absorption peak at 274 nm has been used to measure gamma doses ranging from 1.0 to 100.0 kGy and the melting latent heat, collected by differential scanning calorimetry (DSC), have been used to measure gamma doses from 1.0 to 1,000.0 kGy. In this paper, the infrared stretching vibration of radio-induced in-chain unsaturations (CH=CF) in P(VDF-TrFE) copolymers has been considered as an alternative tool for high dose dosimetric purposes. FTIR spectroscopic data revealed two optical absorption bands at 1754 cm{sup -1} and 1854 cm{sup -1} whose intensities are unambiguously related to gamma delivered doses ranging from 100.0 kGy to 1,000.0 kGy. Fading was evaluated one month after irradiation. The results indicate that the sample dose evaluation should be performed in the first two hours after being exposed to the radiation beam. The radio-induced formation of unsaturations was also investigated by ultraviolet and visible spectroscopy, which has confirmed the gradual increase of conjugated C=C bonds with the absorbed dose. Our results indicate that quantitative analysis of FTIR absorption bands is a useful tool to perform a product end-point dosimetry in radiation processing facilities that use high gamma dose irradiation. (author)

  15. Uniqueness plots: A simple graphical tool for identifying poor peak fits in X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Bhupinder; Diwan, Anubhav; Jain, Varun [Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT, 84606 (United States); Herrera-Gomez, Alberto [CINVESTAV-Unidad Queretaro, Queretaro, 76230 (Mexico); Terry, Jeff [Department of Physics, Illinois Institute of Technology, Chicago, IL, 60616 (United States); Linford, Matthew R., E-mail: mrlinford@chem.byu.edu [Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT, 84606 (United States)

    2016-11-30

    Highlights: • Uniqueness plots are introduced as a new tool for identifying poor XPS peak fits. • Uniqueness plots are demonstrated on real XPS data sets. • A horizontal line in a uniqueness plot indicates a poor fit, i.e., fit parameter correlation. • A parabolic shape in a uniqueness plot indicates that a fit may be appropriate. - Abstract: Peak fitting is an essential part of X-ray photoelectron spectroscopy (XPS) narrow scan analysis, and the Literature contains both good and bad examples of peak fitting. A common cause of poor peak fitting is the inclusion of too many fit parameters, often without a sound chemical and/or physical basis for them, and/or the failure to reasonably constrain them. Under these conditions, fit parameters are often correlated, and therefore lacking in statistical meaning. Here we introduce the uniqueness plot as a simple graphical tool for identifying bad peak fits in XPS, i.e., fit parameter correlation. These plots are widely used in spectroscopic ellipsometry. We illustrate uniqueness plots with two data sets: a C 1s narrow scan from ozone-treated carbon nanotube forests and an Si 2p narrow scan from an air-oxidized silicon wafer. For each fit, we consider different numbers of parameters and constraints on them. As expected, the uniqueness plots are parabolic when fewer fit parameters and/or more constraints are applied. However, they fan out and eventually become horizontal lines as more unconstrained parameters are included in the fits. Uniqueness plots are generated by plotting the chi squared (χ{sup 2}) value for a fit vs. a systematically varied value of a parameter in the fit. The Abbe criterion is also considered as a figure of merit for uniqueness plots in the Supporting Information. We recommend that uniqueness plots be used by XPS practitioners for identifying inappropriate peak fits.

  16. Radiation-induced defects in chalcogenide glasses characterized by combined optical spectroscopy, XPS and PALS methods

    Energy Technology Data Exchange (ETDEWEB)

    Shpotyuk, O. [Institute of Physics of Jan Dlugosz University, 13/15 al. Armii Krajowej, Czestochowa 42201 (Poland); Lehigh University, 5 East Packer Avenue, Bethlehem, PA 18015-3195 (United States); Lviv Institute of Materials of SRC ' ' Carat' ' , 202, Stryjska str., 79031 Lviv (Ukraine); Kovalskiy, A.; Jain, H. [Lehigh University, 5 East Packer Avenue, Bethlehem, PA 18015-3195 (United States); Golovchak, R. [Lehigh University, 5 East Packer Avenue, Bethlehem, PA 18015-3195 (United States); Lviv Institute of Materials of SRC ' ' Carat' ' , 202, Stryjska str., 79031 Lviv (Ukraine); Zurawska, A. [Opole University of Technology, 75, Ozimska str., Opole 45370 (Poland)

    2007-03-15

    Temperature-dependent optical absorption spectroscopy, high-resolution X-ray photoelectron spectroscopy and positron annihilation lifetimes spectroscopy are utilized to understand radiation-induced changes in Ge-Sb-S chalcogenide glasses. Theoretically predicted topological scheme of {gamma}-induced coordination defect formation in stoichiometric Ge{sub 23.5}Sb{sub 11.8}S{sub 64.7} glass composition is supported by these measurements. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  17. FT-IR spectroscopy and multivariate analysis as an auxiliary tool for diagnosis of mental disorders: Bipolar and schizophrenia cases

    Science.gov (United States)

    Ogruc Ildiz, G.; Arslan, M.; Unsalan, O.; Araujo-Andrade, C.; Kurt, E.; Karatepe, H. T.; Yilmaz, A.; Yalcinkaya, O. B.; Herken, H.

    2016-01-01

    In this study, a methodology based on Fourier-transform infrared spectroscopy and principal component analysis and partial least square methods is proposed for the analysis of blood plasma samples in order to identify spectral changes correlated with some biomarkers associated with schizophrenia and bipolarity. Our main goal was to use the spectral information for the calibration of statistical models to discriminate and classify blood plasma samples belonging to bipolar and schizophrenic patients. IR spectra of 30 samples of blood plasma obtained from each, bipolar and schizophrenic patients and healthy control group were collected. The results obtained from principal component analysis (PCA) show a clear discrimination between the bipolar (BP), schizophrenic (SZ) and control group' (CG) blood samples that also give possibility to identify three main regions that show the major differences correlated with both mental disorders (biomarkers). Furthermore, a model for the classification of the blood samples was calibrated using partial least square discriminant analysis (PLS-DA), allowing the correct classification of BP, SZ and CG samples. The results obtained applying this methodology suggest that it can be used as a complimentary diagnostic tool for the detection and discrimination of these mental diseases.

  18. Near-Infrared Spectroscopy as a Novel Non-Invasive Tool to Assess Spiny Lobster Nutritional Condition

    Science.gov (United States)

    Rodemann, Thomas; Carter, Chris G.

    2016-01-01

    Rapid non-invasive monitoring of spiny lobster nutritional condition has considerable application in the established fishery, live market and prospective aquaculture. The aim of this research was to test the feasibility of near-infrared spectroscopy (NIRS) as a novel non-invasive tool to assess the nutritional condition of three lobster species. Lobster (n = 92) abdominal muscle dry matter (AMDM) and carbon content (AMC) correlated significantly with indices of nutritional condition including hepatopancreas dry matter (HPDM; rho = 0.83, 0.78), total lipid content (HPTL; rho = 0.85, 0.87) and haemolymph total protein (TP; rho = 0.89, 0.87 respectively). Abdominal muscle nitrogen content (AMN) was a poor correlate of nutritional condition. Models based on FT-NIR scanning of whole lobster tails successfully predicted AMDM, AMN and AMC (RMSECV = 1.41%, 0.35% and 0.91%; R2 = 0.75, 0.65, 0.77, respectively), and to a lower accuracy HPDM, HPTL and TP (RMSECV = 6.22%, 8.37%, 18.4 g l-1; R2 = 0.51, 0.70, 0.83, respectively). NIRS was applied successfully to assess the condition of spiny lobsters non-invasively. This pilot study paves the way for the development of crustacean condition models using portable non-invasive devices in the laboratory or in the field. PMID:27442242

  19. Laser-induced breakdown spectroscopy: a tool for real-time, in vitro and in vivo identification of carious teeth

    Directory of Open Access Journals (Sweden)

    Beddows David CS

    2001-12-01

    Full Text Available Abstract Background Laser Induced Breakdown Spectroscopy (LIBS can be used to measure trace element concentrations in solids, liquids and gases, with spatial resolution and absolute quantifaction being feasible, down to parts-per-million concentration levels. Some applications of LIBS do not necessarily require exact, quantitative measurements. These include applications in dentistry, which are of a more "identify-and-sort" nature – e.g. identification of teeth affected by caries. Methods A one-fibre light delivery / collection assembly for LIBS analysis was used, which in principle lends itself for routine in vitro / in vivo applications in a dental practice. A number of evaluation algorithms for LIBS data can be used to assess the similarity of a spectrum, measured at specific sample locations, with a training set of reference spectra. Here, the description has been restricted to one pattern recognition algorithm, namely the so-called Mahalanobis Distance method. Results The plasma created when the laser pulse ablates the sample (in vitro / in vivo, was spectrally analysed. We demonstrated that, using the Mahalanobis Distance pattern recognition algorithm, we could unambiguously determine the identity of an "unknown" tooth sample in real time. Based on single spectra obtained from the sample, the transition from caries-affected to healthy tooth material could be distinguished, with high spatial resolution. Conclusions The combination of LIBS and pattern recognition algorithms provides a potentially useful tool for dentists for fast material identification problems, such as for example the precise control of the laser drilling / cleaning process.

  20. Uniqueness plots: A simple graphical tool for identifying poor peak fits in X-ray photoelectron spectroscopy

    Science.gov (United States)

    Singh, Bhupinder; Diwan, Anubhav; Jain, Varun; Herrera-Gomez, Alberto; Terry, Jeff; Linford, Matthew R.

    2016-11-01

    Peak fitting is an essential part of X-ray photoelectron spectroscopy (XPS) narrow scan analysis, and the Literature contains both good and bad examples of peak fitting. A common cause of poor peak fitting is the inclusion of too many fit parameters, often without a sound chemical and/or physical basis for them, and/or the failure to reasonably constrain them. Under these conditions, fit parameters are often correlated, and therefore lacking in statistical meaning. Here we introduce the uniqueness plot as a simple graphical tool for identifying bad peak fits in XPS, i.e., fit parameter correlation. These plots are widely used in spectroscopic ellipsometry. We illustrate uniqueness plots with two data sets: a C 1s narrow scan from ozone-treated carbon nanotube forests and an Si 2p narrow scan from an air-oxidized silicon wafer. For each fit, we consider different numbers of parameters and constraints on them. As expected, the uniqueness plots are parabolic when fewer fit parameters and/or more constraints are applied. However, they fan out and eventually become horizontal lines as more unconstrained parameters are included in the fits. Uniqueness plots are generated by plotting the chi squared (χ2) value for a fit vs. a systematically varied value of a parameter in the fit. The Abbe criterion is also considered as a figure of merit for uniqueness plots in the Supporting Information. We recommend that uniqueness plots be used by XPS practitioners for identifying inappropriate peak fits.

  1. A Novel Application for Low Frequency Electrochemical Impedance Spectroscopy as an Online Process Monitoring Tool for Viable Cell Concentrations

    Directory of Open Access Journals (Sweden)

    Christoph Slouka

    2016-11-01

    Full Text Available New approaches in process monitoring during industrial fermentations are not only limited to classical pH, dO2 and offgas analysis, but use different in situ and online sensors based on different physical principles to determine biomass, product quality, lysis and far more. One of the very important approaches is the in situ accessibility of viable cell concentration (VCC. This knowledge provides increased efficiency in monitoring and controlling strategies during cultivations. Electrochemical impedance spectroscopy—EIS—is used to monitor biomass in a fermentation of E. coli BL21(DE3, producing a recombinant protein using a fed batch-based approach. Increases in the double layer capacitance (Cdl, determined at frequencies below 1 kHz, are proportional to the increase of biomass in the batch and fed batch phase, monitored in offline and online modes for different cultivations. A good correlation of Cdl with cell density is found and in order to get an appropriate verification of this method, different state-of-the-art biomass measurements are performed and compared. Since measurements in this frequency range are largely determined by the double layer region between the electrode and media, rather minor interferences with process parameters (aeration, stirring are to be expected. It is shown that impedance spectroscopy at low frequencies is a powerful tool for cultivation monitoring.

  2. Automation and heat transfer characterization of immersion mode spectroscopy for analysis of ice nucleating particles

    Science.gov (United States)

    Beall, Charlotte M.; Stokes, M. Dale; Hill, Thomas C.; DeMott, Paul J.; DeWald, Jesse T.; Prather, Kimberly A.

    2017-07-01

    Ice nucleating particles (INPs) influence cloud properties and can affect the overall precipitation efficiency. Developing a parameterization of INPs in global climate models has proven challenging. More INP measurements - including studies of their spatial distribution, sources and sinks, and fundamental freezing mechanisms - must be conducted in order to further improve INP parameterizations. In this paper, an immersion mode INP measurement technique is modified and automated using a software-controlled, real-time image stream designed to leverage optical changes of water droplets to detect freezing events. For the first time, heat transfer properties of the INP measurement technique are characterized using a finite-element-analysis-based heat transfer simulation to improve accuracy of INP freezing temperature measurement. The heat transfer simulation is proposed as a tool that could be used to explain the sources of bias in temperature measurements in INP measurement techniques and ultimately explain the observed discrepancies in measured INP freezing temperatures between different instruments. The simulation results show that a difference of +8.4 °C between the well base temperature and the headspace gas results in an up to 0.6 °C stratification of the aliquot, whereas a difference of +4.2 °C or less results in a thermally homogenous water volume within the error of the thermal probe, ±0.2 °C. The results also show that there is a strong temperature gradient in the immediate vicinity of the aliquot, such that without careful placement of temperature probes, or characterization of heat transfer properties of the water and cooling environment, INP measurements can be biased toward colder temperatures. Based on a modified immersion mode technique, the Automated Ice Spectrometer (AIS), measurements of the standard test dust illite NX are reported and compared against six other immersion mode droplet assay techniques featured in Hiranuma et al. (2015) that used

  3. Preparation and characterization of standardized pomegranate extract-phospholipid complex as an effective drug delivery tool

    Directory of Open Access Journals (Sweden)

    Amisha Kamlesh Vora

    2015-01-01

    Full Text Available Punicalagins, a pair of anomeric ellagitannins, present in Punica granatum (Pomegranates are known to possess excellent antioxidant activity in vitro, but poor oral bioavailability. The reasons cited for poor bioavailability are their large molecular size, poor lipophilicity, and degradation by colonic microflora into less active metabolites. The objective of the present research work was to complex the standardized pomegranate extract (SPE with phospholipid to formulate standardized pomegranate extract-phospholipid complex (SPEPC, characterize it and check its permeability through an ex vivo everted gut sac experiment. SPEPC was prepared by mixing SPE (30% punicalagins and soya phosphatidylcholine (PC in 1:1 v/v mixture of methanol and dioxane and spray-drying the mixture. The complex was characterized by infrared spectroscopy, differential scanning calorimetry, X-ray diffraction, and scanning electron microscopy. It was evaluated for its octanol solubility, dissolution, and permeability by everted the gut sac technique. The characterization methods confirmed the formation of complex. Increased n-octanol solubility of the complex proved its increased lipophilicity. Dissolution studies revealed that the phospholipid covering may prevent the punicalagins to be released in gastro-intestinal tract, thus preventing their colonic microbial degradation. SPEPC showed better apparent permeability than SPE in an everted gut sac technique. Hence, it could be concluded that phospholipid complex of SPE may be of potential use in increasing the permeability and hence the bioavailability of punicalagins.

  4. Combination of optical spectroscopy and electrical impedancemetry for nutrition behavior characterizations

    Science.gov (United States)

    Perchik, Alexey; Pavlov, Konstantin; Vilenskii, Maksim; Popov, Mikhail

    2017-07-01

    Unhealthy nutrition trends determination technique is described. Combination of optical spectroscopy and electrical impedancemetry will lead to development of a healthcare device that will predict unhealthy eating habits and decrease risk factors of diseases development.

  5. Total reflection x-ray fluorescence spectroscopy as a tool for evaluation of iron concentration in ferrofluids and yeast samples

    Energy Technology Data Exchange (ETDEWEB)

    Kulesh, N.A., E-mail: nikita.kulesh@urfu.ru [Ural Federal University, Mira 19, 620002 Ekaterinburg (Russian Federation); Novoselova, I.P. [Ural Federal University, Mira 19, 620002 Ekaterinburg (Russian Federation); Immanuel Kant Baltic Federal University, 236041 Kaliningrad (Russian Federation); Safronov, A.P. [Ural Federal University, Mira 19, 620002 Ekaterinburg (Russian Federation); Institute of Electrophysics UD RAS, Amundsen 106, 620016 Ekaterinburg (Russian Federation); Beketov, I.V.; Samatov, O.M. [Institute of Electrophysics UD RAS, Amundsen 106, 620016 Ekaterinburg (Russian Federation); Kurlyandskaya, G.V. [Ural Federal University, Mira 19, 620002 Ekaterinburg (Russian Federation); University of the Basque Country UPV-EHU, 48940 Leioa (Spain); Morozova, M. [Ural Federal University, Mira 19, 620002 Ekaterinburg (Russian Federation); Denisova, T.P. [Irkutsk State University, Karl Marks 1, 664003 Irkutsk (Russian Federation)

    2016-10-01

    In this study, total reflection x-ray fluorescent (TXRF) spectrometry was applied for the evaluation of iron concentration in ferrofluids and biological samples containing iron oxide magnetic nanoparticles obtained by the laser target evaporation technique. Suspensions of maghemite nanoparticles of different concentrations were used to estimate the limitation of the method for the evaluation of nanoparticle concentration in the range of 1–5000 ppm in absence of organic matrix. Samples of single-cell yeasts grown in the nutrient media containing maghemite nanoparticles were used to study the nanoparticle absorption mechanism. The obtained results were analyzed in terms of applicability of TXRF for quantitative analysis in a wide range of iron oxide nanoparticle concentrations for biological samples and ferrofluids with a simple established protocol of specimen preparation. - Highlights: • Ferrofluids and yeasts samples were analysed by TXRF spectroscopy. • Simple protocol for iron quantification by means of TXRF was proposed. • Results were combined with magnetic, structural, and morphological characterization. • Preliminary conclusion on nanoparticles uptake mechanism was made.

  6. Use of emission spectroscopy as a tool for optimization of plasma hearth operation for hazardous waste thermal treatment

    International Nuclear Information System (INIS)

    Monts, D.L.; Bauman, L.E.; Lengel, R.K.; Wang, W.; Lin, J.; Cook, R.L.; Shepard, W.S.

    1994-01-01

    Thermal processing of mixed wastes by plasma hearth vitrification requires optimization of and continuous monitoring of plasma hearth operation. A series of investigations utilizing emission spectroscopy has been initiated to characterize the plasma of a 96 kW plasma hearth in order to determine optimum conditions for monitoring and hence controlling plasma hearth performance. The plasma hearth test stand is based upon a 96 kW, transferred arc plasma torch. The torch is mounted in a vacuum vessel through an electrically operated XYZ Gimbal mount. The peak operating power depends on the gas used for the plasma. The operational limits for DC voltage are 180 V to 550 V; and the current is operated at a constant value, selectable in the range from 72 to 200 amps. The plasma arc length can be varied from 2.5 cm to 25 cm, and is dependent on the supply voltage and the process gas used. The arc current and voltage, gas pressure, cooling water flow, and cooling water temperature are monitored and stored by a PC-based data acquisition system. Five optical ports are available for making optical diagnostic measurements

  7. Total reflection x-ray fluorescence spectroscopy as a tool for evaluation of iron concentration in ferrofluids and yeast samples

    International Nuclear Information System (INIS)

    Kulesh, N.A.; Novoselova, I.P.; Safronov, A.P.; Beketov, I.V.; Samatov, O.M.; Kurlyandskaya, G.V.; Morozova, M.; Denisova, T.P.

    2016-01-01

    In this study, total reflection x-ray fluorescent (TXRF) spectrometry was applied for the evaluation of iron concentration in ferrofluids and biological samples containing iron oxide magnetic nanoparticles obtained by the laser target evaporation technique. Suspensions of maghemite nanoparticles of different concentrations were used to estimate the limitation of the method for the evaluation of nanoparticle concentration in the range of 1–5000 ppm in absence of organic matrix. Samples of single-cell yeasts grown in the nutrient media containing maghemite nanoparticles were used to study the nanoparticle absorption mechanism. The obtained results were analyzed in terms of applicability of TXRF for quantitative analysis in a wide range of iron oxide nanoparticle concentrations for biological samples and ferrofluids with a simple established protocol of specimen preparation. - Highlights: • Ferrofluids and yeasts samples were analysed by TXRF spectroscopy. • Simple protocol for iron quantification by means of TXRF was proposed. • Results were combined with magnetic, structural, and morphological characterization. • Preliminary conclusion on nanoparticles uptake mechanism was made.

  8. New and improved method of investigation using thermal tools for characterization of cellulose from eucalypts pulp

    Energy Technology Data Exchange (ETDEWEB)

    Lengowski, Elaine Cristina, E-mail: elainelengowski@yahoo.com.br [Laboratório de Anatomia e Qualidade da Madeira – LANAQM, Departamento de Engenharia e Tecnologia Florestal – DETF/Universidade Federal do Paraná, (UFPR), Curitiba, PR (Brazil); Magalhães, Washington Luiz Esteves, E-mail: washington.magalhaes@embrapa.br [Embrapa Florestas, Estrada da Ribeira km 111 P.O. Box 319, 83411-000 Colombo, PR (Brazil); Programa de Pós Graduação em Engenharia de Materiais – PIPE Universidade Federal do Paraná, (UFPR), Curitiba, PR (Brazil); Nisgoski, Silvana, E-mail: silnis@yahoo.com [Laboratório de Anatomia e Qualidade da Madeira – LANAQM, Departamento de Engenharia e Tecnologia Florestal – DETF/Universidade Federal do Paraná, (UFPR), Curitiba, PR (Brazil); Muniz, Graciela Inês Bolzon de, E-mail: graciela.ufpr@gmail.com [Laboratório de Anatomia e Qualidade da Madeira – LANAQM, Departamento de Engenharia e Tecnologia Florestal – DETF/Universidade Federal do Paraná, (UFPR), Curitiba, PR (Brazil); Satyanarayana, Kestur Gundappa [Embrapa Florestas, Estrada da Ribeira km 111 P.O. Box 319, 83411-000 Colombo, PR (Brazil); Lazzarotto, Marcelo, E-mail: marcelo.lazzarotto@embrapa.br [Embrapa Florestas, Estrada da Ribeira km 111 P.O. Box 319, 83411-000 Colombo, PR (Brazil)

    2016-08-20

    Highlights: • Cellulose was treated to modify its crystallinity. • Cellulose was characterized by X-ray diffraction to evaluate Segal’s index. • TGA and DTA with chemometric tools were used to predict Segal’s index. • MLR model was applied to predict XRD cellulose Segal’s index from TGA curves. • MLR model was applied to predict XRD cellulose Segal’s index from DTA curves. - Abstract: Despite cellulose being the most abundant biopolymer on earth and an important commodity, there is a lack of deeper knowledge about its structure as well as faster and more efficient characterization techniques. This paper presents preparation of nanocellulose from bleached cellulose pulp of Eucalyptus by chemical and mechanical pre-treatments, while the cellulose was given treatment to obtain a great range of crystallinity index. The nanocellulose is characterized by X-ray diffraction to evaluate Segal’s index while chemometric tools by TGA and DTA were used to predict Segal’s index. DTA curves, along with multivariate statistical model, presented better result than TGA. The coefficient of variation and standard error of prediction for the proposed models using external validation samples were in the range of 0.91–0.96 and 4.18–8.71, respectively. These successful mathematical models are discussed by correlating them with the observed characteristics of cellulose.

  9. New and improved method of investigation using thermal tools for characterization of cellulose from eucalypts pulp

    International Nuclear Information System (INIS)

    Lengowski, Elaine Cristina; Magalhães, Washington Luiz Esteves; Nisgoski, Silvana; Muniz, Graciela Inês Bolzon de; Satyanarayana, Kestur Gundappa; Lazzarotto, Marcelo

    2016-01-01

    Highlights: • Cellulose was treated to modify its crystallinity. • Cellulose was characterized by X-ray diffraction to evaluate Segal’s index. • TGA and DTA with chemometric tools were used to predict Segal’s index. • MLR model was applied to predict XRD cellulose Segal’s index from TGA curves. • MLR model was applied to predict XRD cellulose Segal’s index from DTA curves. - Abstract: Despite cellulose being the most abundant biopolymer on earth and an important commodity, there is a lack of deeper knowledge about its structure as well as faster and more efficient characterization techniques. This paper presents preparation of nanocellulose from bleached cellulose pulp of Eucalyptus by chemical and mechanical pre-treatments, while the cellulose was given treatment to obtain a great range of crystallinity index. The nanocellulose is characterized by X-ray diffraction to evaluate Segal’s index while chemometric tools by TGA and DTA were used to predict Segal’s index. DTA curves, along with multivariate statistical model, presented better result than TGA. The coefficient of variation and standard error of prediction for the proposed models using external validation samples were in the range of 0.91–0.96 and 4.18–8.71, respectively. These successful mathematical models are discussed by correlating them with the observed characteristics of cellulose.

  10. Characterizing Hohlraum Plasma Conditions at the National Ignition Facility (NIF) Using X-ray Spectroscopy

    Science.gov (United States)

    Barrios, Maria Alejandra

    2015-11-01

    Improved hohlraums will have a significant impact on increasing the likelihood of indirect drive ignition at the NIF. In indirect-drive Inertial Confinement Fusion (ICF), a high-Z hohlraum converts laser power into a tailored x-ray flux that drives the implosion of a spherical capsule filled with D-T fuel. The x-radiation drive to capsule coupling sets the velocity, adiabat, and symmetry of the implosion. Previous experiments in gas-filled hohlraums determined that the laser-hohlraum energy coupling is 20-25% less than modeled, therefore identifying energy loss mechanisms that reduce the efficacy of the hohlraum drive is central to improving implosion performance. Characterizing the plasma conditions, particularly the plasma electron temperature (Te) , is critical to understanding mechanism that affect the energy coupling such as the laser plasma interactions (LPI), hohlraum x-ray conversion efficiency, and dynamic drive symmetry. The first Te measurements inside a NIF hohlraum, presented here, were achieved using K-shell X-ray spectroscopy of an Mn-Co tracer dot. The dot is deposited on a thin-walled CH capsule, centered on the hohlraum symmetry axis below the laser entrance hole (LEH) of a bottom-truncated hohlraum. The hohlraum x-ray drive ablates the dot and causes it to flow upward, towards the LEH, entering the hot laser deposition region. An absolutely calibrated streaked spectrometer with a line of sight into the LEH records the temporal history of the Mn and Co X-ray emission. The measured (interstage) Lyα/ Heα line ratios for Co and Mn and the Mn-Heα/Co-Heα isoelectronic line ratio are used to infer the local plasma Te from the atomic physics code SCRAM. Time resovled x-ray images perpendicular to the hohlraum axis record the dot expansion and trajectory into the LEH region. The temporal evolution of the measured Te and dot trajectory are compared with simulations from radiation-hydrodynamic codes. This work was performed under the auspices of the U

  11. Low-Frequency Electrochemical Impedance Spectroscopy as a Monitoring Tool for Yeast Growth in Industrial Brewing Processes

    Directory of Open Access Journals (Sweden)

    Christoph Slouka

    2017-08-01

    Full Text Available Today’s yeast total biomass and viability measurements during the brewing process are dependent on offline methods such as methylene blue or florescence dye-based staining, and/or the usage of flow cytometric measurements. Additionally, microscopic cell counting methods decelerate an easy and quick prediction of yeast viability. These processes are time consuming and result in a time-delayed response signal, which not only reduces the knowledge of the performance of the yeast itself, but also impacts the quality of the final product. Novel approaches in process monitoring during the aerobic and anaerobic fermentation of Saccharomyces cerevisiae are not only limited to classical pH, dO2 and off-gas analysis, but they also use different in situ and online sensors based on different physical principles to determine the biomass, product quality and cell death. Within this contribution, electrochemical impedance spectroscopy (EIS was used to monitor the biomass produced in aerobic and anaerobic batch cultivation approaches, simulating the propagation and fermentation unit operation of industrial brewing processes. Increases in the double-layer capacitance (CDL, determined at frequencies below 1 kHz, were proportional to the increase of biomass in the batch, which was monitored in the online and inline mode. A good correlation of CDL with the cell density was found. In order to prove the robustness and flexibility of this novel method, different state-of-the-art biomass measurements (dry cell weight—DCW and optical density—OD were performed for comparison. Because measurements in this frequency range are largely determined by the double-layer region between the electrode and media, rather minor interferences with process parameters (aeration and stirring were to be expected. It is shown that impedance spectroscopy at low frequencies is not only a powerful tool for the monitoring of viable yeast cell concentrations during operation, but it is

  12. On-line near infrared spectroscopy as a Process Analytical Technology (PAT) tool to control an industrial seeded API crystallization.

    Science.gov (United States)

    Schaefer, C; Lecomte, C; Clicq, D; Merschaert, A; Norrant, E; Fotiadu, F

    2013-09-01

    The final step of an active pharmaceutical ingredient (API) manufacturing synthesis process consists of a crystallization during which the API and residual solvent contents have to be quantified precisely in order to reach a predefined seeding point. A feasibility study was conducted to demonstrate the suitability of on-line NIR spectroscopy to control this step in line with new version of the European Medicines Agency (EMA) guideline [1]. A quantitative method was developed at laboratory scale using statistical design of experiments (DOE) and multivariate data analysis such as principal component analysis (PCA) and partial least squares (PLS) regression. NIR models were built to quantify the API in the range of 9-12% (w/w) and to quantify the residual methanol in the range of 0-3% (w/w). To improve the predictive ability of the models, the development procedure encompassed: outliers elimination, optimum model rank definition, spectral range and spectral pre-treatment selection. Conventional criteria such as, number of PLS factors, R(2), root mean square errors of calibration, cross-validation and prediction (RMSEC, RMSECV, RMSEP) enabled the selection of three model candidates. These models were tested in the industrial pilot plant during three technical campaigns. Results of the most suitable models were evaluated against to the chromatographic reference methods. Maximum relative bias of 2.88% was obtained about API target content. Absolute bias of 0.01 and 0.02% (w/w) respectively were achieved at methanol content levels of 0.10 and 0.13% (w/w). The repeatability was assessed as sufficient for the on-line monitoring of the 2 analytes. The present feasibility study confirmed the possibility to use on-line NIR spectroscopy as a PAT tool to monitor in real-time both the API and the residual methanol contents, in order to control the seeding of an API crystallization at industrial scale. Furthermore, the successful scale-up of the method proved its capability to be

  13. Surface characterization of selected polymer thin films by total-reflection x-ray fluorescence spectroscopy and x-ray reflectivity

    International Nuclear Information System (INIS)

    Innis, Vallerie Ann A.

    2006-01-01

    Development of available x-ray characterizations tools for grazing incidence techniques was done to be able to probe nano-size thin films. Alignment of a Philips x-ray powder diffractometer was improved to let it perform as an x-ray reflectometer. X-ray reflectometry was coupled with total-reflection x-ray fluorescence spectroscopy. Evaluation of the performance of this grazing incidence techniques was done by preparing polymer thin films of carboxymethylcellulose, carrageenan and polyvinylpyrrolidone (PVP). The thickness of the films were varied by varying the process parameters such as concentration, spin speed and spin time. Angle-dispersive total-reflection x-ray fluorescence spectroscopy profiles of three films showed film formation only in carrageenan and PVP. For both carrageenan and PVP, an increase in concentration yielded a corresponding increase in intensity of the fluorescent or scattered peaks. XRR profiles of carrageenan thin films yielded a mean value for the critical angle close to quartz substrate. Thickness measurements of the prepared carrageenan thin films showed that concentration was the main determinant for final film thickness over the other process parameters. Sulfur fluorescent intensity derived from the TXRF measurement showed a linear relationship with the measured thickness by XRR. For PVP, measured critical angle is lower than quartz. Poor adhesion of the polymer onto the substrate yielded a limited number of thickness measurements made from the XRR profiles. (Author)

  14. Online characterization of planetary surfaces: PlanetServer, an open-source analysis and visualization tool

    Science.gov (United States)

    Marco Figuera, R.; Pham Huu, B.; Rossi, A. P.; Minin, M.; Flahaut, J.; Halder, A.

    2018-01-01

    The lack of open-source tools for hyperspectral data visualization and analysis creates a demand for new tools. In this paper we present the new PlanetServer, a set of tools comprising a web Geographic Information System (GIS) and a recently developed Python Application Programming Interface (API) capable of visualizing and analyzing a wide variety of hyperspectral data from different planetary bodies. Current WebGIS open-source tools are evaluated in order to give an overview and contextualize how PlanetServer can help in this matters. The web client is thoroughly described as well as the datasets available in PlanetServer. Also, the Python API is described and exposed the reason of its development. Two different examples of mineral characterization of different hydrosilicates such as chlorites, prehnites and kaolinites in the Nili Fossae area on Mars are presented. As the obtained results show positive outcome in hyperspectral analysis and visualization compared to previous literature, we suggest using the PlanetServer approach for such investigations.

  15. Microstructural characterization of cermet-steel interface in rock drilling tool

    International Nuclear Information System (INIS)

    Ybarra, L.A.C.; Molisani, A.L.; Yoshimura, H.N.

    2010-01-01

    Rock drilling tools basically present a WC cermet bonded to a steel shank. The interface cermet-steel plays fundamental role during drilling operation, since the fracture of this interface is the main failure mode of the tools. In this work, the microstructure of this interface in crown samples (type A), prepared in an industrial like process, was evaluated. In this process, a WC-containing powder was infiltrated with a copper alloy at 1100 deg C in a graphite mold previously mounted with a 1020 steel tube. The powder was characterized by XRD analysis and the cross-section microstructure of cermet-steel was analyzed using SEM-EDS. It was observed that Ni and small amount of Cu from cermet matrix diffused into the superficial region of the steel, and the Cu alloy dissolved and penetrated along the steel grain boundaries, resulting in good metallurgical bonding of the interface.(author)

  16. Using 3D Printing for Rapid Prototyping of Characterization Tools for Investigating Powder Blend Behavior

    DEFF Research Database (Denmark)

    Hirschberg, Cosima; Boetker, Johan P; Rantanen, Jukka

    2018-01-01

    of complex powder behavior, such as mixing process and segregation phenomenon. An approach based on the fast prototyping of new powder handling geometries and interfacing solutions for process analytical tools is reported. This study utilized 3D printing for rapid prototyping of customized geometries...... the percolation thresholds. Blends with a paracetamol wt% above the percolation threshold were subsequently investigated in relation to their segregation behavior. Rapid prototyping using 3D printing allowed designing two funnels with tailored flow behavior (funnel flow) of model formulations, which could...... blend were monitored during blending. Rapid prototyping allowed for fast modification of powder testing geometries and easy interfacing with process analytical tools, opening new possibilities for more detailed powder characterization....

  17. A computational tool to characterize particle tracking measurements in optical tweezers

    International Nuclear Information System (INIS)

    Taylor, Michael A; Bowen, Warwick P

    2013-01-01

    Here, we present a computational tool for optical tweezers which calculates the particle tracking signal measured with a quadrant detector and the shot-noise limit to position resolution. The tool is a piece of Matlab code which functions within the freely available Optical Tweezers Toolbox. It allows the measurements performed in most optical tweezer experiments to be theoretically characterized in a fast and easy manner. The code supports particles with arbitrary size, any optical fields and any combination of objective and condenser, and performs a full vector calculation of the relevant fields. Example calculations are presented which show the tracking signals for different particles, and the shot-noise limit to position sensitivity as a function of the effective condenser NA. (paper)

  18. Tools for LWR spent fuel characterization: Assembly classes and fuel designs

    International Nuclear Information System (INIS)

    Moore, R.S.; Notz, K.J.

    1991-01-01

    The Characteristics Data Base (CDB) is sponsored by the DOE's Office of Civilian Radioactive Waste Management (OCRWM). The CDB provides a single, comprehensive source of data pertaining to radioactive wastes that will or may require geologic disposal, including detailed data describing the physical, quantitative, and radiological characteristics of light-water reactor (LWR) spent fuel. In developing the CDB, tools for the classification of fuel assembly types have been developed. The assembly class scheme is particularly useful for size- and handling-based describes these tools and presents results of their applications in the areas of fuel assembly type identification, characterization of projected discharges, cask accommodation analyses, and defective fuel analyses. Suggestions for additional applications are also made. 7 refs., 1 fig., 2 tabs

  19. Characterization of interfaces between metals and organic thin films by electron and ion spectroscopies

    Energy Technology Data Exchange (ETDEWEB)

    Schmid, Martin

    2012-01-18

    In this thesis, interfaces between metals and organic thin films have been characterized with photoelectron and ion-scattering spectroscopies. Two different classes of metal/organic interfaces were examined in detail. First, interfaces which can be mainly characterized by relatively weak coordinative interactions between substrate and adsorbate. Second, interfaces which are mostly determined, or even created, by chemical reactions between different adsorbates or between adsorbates and substrate. Typical examples from the first class are metalated tetrapyrrole monolayers on Ag(111) and Au(111) single-crystal substrates. In this study, a focus was set to the interaction between iron and cobalt tetrapyrroles with Ag(111) or Au(111) substrates. A detailed examination of the corresponding photoelectron spectra revealed that the adsorbatesubstrate interaction is associated with a charge transfer from the metallic substrate to the Fe(II) or Co(II) ions within the tetrapyrrole units. The examination of cobalt(II) phthalocyanine monolayers further led to the conclusion that the magnetic moment, as present in unperturbed CoPc molecules, is efficiently quenched by the contact to the Ag(111) surface and the associated charge transfer. Similar investigations on Au(111) substrates gave evidence for possible adsorption site effects, further complicating the adsorbate/substrate interaction. Furthermore the formation of two-dimensional structures of poly(p-phenylene-terephthalamide) (PPTA, trademark Kevlar) on Ag(111) was closely examined. The Ag(111) surface does not only provide the geometrical boundary for the formation of the 2D covalent structures, but, moreover, actively participates in the reaction; after the adsorption of TPC molecules, a scission of the C-Cl bond, in particular at temperatures above 120 K, was evident. The resulting radical fragments appear stable and can act as reaction partners for the co-adsorbed PPD units. The chlorine atoms reside on the surface even

  20. Structural Characterization of Amadori Rearrangement Product of Glucosylated Nα-Acetyl-Lysine by Nuclear Magnetic Resonance Spectroscopy

    Directory of Open Access Journals (Sweden)

    Chuanjiang Li

    2014-01-01

    Full Text Available Maillard reaction is a nonenzymatic reaction between reducing sugars and free amino acid moieties, which is known as one of the most important modifications in food science. It is essential to characterize the structure of Amadori rearrangement products (ARPs formed in the early stage of Maillard reaction. In the present study, the Nα-acetyl-lysine-glucose model had been successfully set up to produce ARP, Nα-acetyl-lysine-glucose. After HPLC purification, ARP had been identified by ESI-MS with intense [M+H]+ ion at 351 m/z and the purity of ARP was confirmed to be over 90% by the relative intensity of [M+H]+ ion. Further structural characterization of the ARP was accomplished by using nuclear magnetic resonance (NMR spectroscopy, including 1D 1H NMR and 13C NMR, the distortionless enhancement by polarization transfer (DEPT-135 and 2D 1H-1H and 13C-1H correlation spectroscopy (COSY and 2D nuclear overhauser enhancement spectroscopy (NOESY. The complexity of 1D 1H NMR and 13C NMR was observed due to the presence of isomers in glucose moiety of ARP. However, DEPT-135 and 2D NMR techniques provided more structural information to assign the 1H and 13C resonances of ARP. 2D NOESY had successfully confirmed the glycosylated site between 10-N in Nα-acetyl-lysine and 7′-C in glucose.

  1. Correlated Raman micro-spectroscopy and scanning electron microscopy analyses of flame retardants in environmental samples: a micro-analytical tool for probing chemical composition, origin and spatial distribution.

    Science.gov (United States)

    Ghosal, Sutapa; Wagner, Jeff

    2013-07-07

    We present correlated application of two micro-analytical techniques: scanning electron microscopy/energy dispersive X-ray spectroscopy (SEM/EDS) and Raman micro-spectroscopy (RMS) for the non-invasive characterization and molecular identification of flame retardants (FRs) in environmental dusts and consumer products. The SEM/EDS-RMS technique offers correlated, morphological, molecular, spatial distribution and semi-quantitative elemental concentration information at the individual particle level with micrometer spatial resolution and minimal sample preparation. The presented methodology uses SEM/EDS analyses for rapid detection of particles containing FR specific elements as potential indicators of FR presence in a sample followed by correlated RMS analyses of the same particles for characterization of the FR sub-regions and surrounding matrices. The spatially resolved characterization enabled by this approach provides insights into the distributional heterogeneity as well as potential transfer and exposure mechanisms for FRs in the environment that is typically not available through traditional FR analysis. We have used this methodology to reveal a heterogeneous distribution of highly concentrated deca-BDE particles in environmental dust, sometimes in association with identifiable consumer materials. The observed coexistence of deca-BDE with consumer material in dust is strongly indicative of its release into the environment via weathering/abrasion of consumer products. Ingestion of such enriched FR particles in dust represents a potential for instantaneous exposure to high FR concentrations. Therefore, correlated SEM/RMS analysis offers a novel investigative tool for addressing an area of important environmental concern.

  2. Fluorescence spectroscopy

    DEFF Research Database (Denmark)

    Bagatolli, Luis

    2016-01-01

    Fluorescence spectroscopy is a powerful experimental tool used by scientists from many disciplines. During the last decades there have been important developments on distinct fluorescence methods, particularly those related to the study of biological phenomena. This chapter discusses the foundati......Fluorescence spectroscopy is a powerful experimental tool used by scientists from many disciplines. During the last decades there have been important developments on distinct fluorescence methods, particularly those related to the study of biological phenomena. This chapter discusses...

  3. Characterization of pigment/binder - systems in arts via FTIR and UV/Vis/NIR - spectroscopy with special consideration of nondestructive methods

    International Nuclear Information System (INIS)

    Vetter, W.A.

    2014-01-01

    The main focus of this doctoral thesis is on the non-destructive analysis of art objects by using compound specific reflection-UV/Vis/NIR and reflection-FTIR spectroscopy. Based on commercially available instruments, measuring systems have been designed and built to meet the specific requirements of material analysis in the field of art. These systems have been utilized to analyse different types of art objects (watercolour paintings, easel paintings, contemporary graphic art objects) in order to identify the materials used by the artists. Furthermore, two new procedures are presented which allow to build up adequate reference databases from only minimal sample amounts of original watercolour materials of the 19th century. This is a crucial point as both methods require references for the identification of the materials. The results obtained demonstrate that UV/Vis/NIR and FTIR spectroscopy in reflection mode enable the non-destructive identification of a variety of both, organic and inorganic materials, particularly in combination with element specific XRF (X-ray fluorescence analysis) and thus are valuable tools for the analysis of cultural heritage objects. Furthermore, the results have shown that a comparison of the complementary methods strongly facilitated the evaluation of spectra obtained by the particular analytical techniques and hence reliable results could be obtained in many cases. As expected, several frequently used pigments e.g. carbon based blacks, earth pigments and lake pigments could not be identified unambiguously due to methodical limitations. Therefore, the use of additional complementary methods such as Raman spectroscopy and X-ray diffraction (XRD) would be highly desirable. Except a few examples, the characteristics of the radiation used for the investigations did not allow to draw conclusions about the distribution of materials in multilayer structures. For this reason, it still remains necessary to analyse cross-sections of samples for a

  4. Pectins from apple pomace - characterization by 13C and 1H NMR spectroscopy

    International Nuclear Information System (INIS)

    Marcon, M.V.; Carneiro, P.I.B.; Wosiacki, G.; Beleski-Carneiro, E.; Petkowicz, C.L.O.

    2005-01-01

    Pectins were extracted from apple pomace flour with 5% (w/v) aqueous citric acid solutions under different time and temperature according to an experimental design (factorial 2 2 with triplicate of central point). Monosaccharide composition of fractions was determined by colorimetric analysis and gas chromatography. The structure of pectins was studied by NMR spectroscopy. The degree of esterification (DE=30.5-55.9), determined by FT-IR spectroscopy, was indirectly correlated with increasing temperature and time of extraction, showing that drastic conditions for extraction promote hydrolysis of esterified units. High content of galacturonic acid is consistent with the smooth region of the polysaccharide. 13 C and 1 H NMR spectroscopy confirmed the presence of uronic acids in the free and methyl ester forms. NMR data also showed the presence of arabinan and galactan as side chains. (author)

  5. Characterization of sildenafil citrate tablets of different sources by near infrared chemical imaging and chemometric tools.

    Science.gov (United States)

    Sabin, Guilherme P; Lozano, Valeria A; Rocha, Werickson F C; Romão, Wanderson; Ortiz, Rafael S; Poppi, Ronei J

    2013-11-01

    The chemical imaging technique by near infrared spectroscopy was applied for characterization of formulations in tablets of sildenafil citrate of six different sources. Five formulations were provided by Brazilian Federal Police and correspond to several trademarks of prohibited marketing and one was an authentic sample of Viagra. In a first step of the study, multivariate curve resolution was properly chosen for the estimation of the distribution map of concentration of the active ingredient in tablets of different sources, where the chemical composition of all excipients constituents was not truly known. In such cases, it is very difficult to establish an appropriate calibration technique, so that only the information of sildenafil is considered independently of the excipients. This determination was possible only by reaching the second-order advantage, where the analyte quantification can be performed in the presence of unknown interferences. In a second step, the normalized histograms of images from active ingredient were grouped according to their similarities by hierarchical cluster analysis. Finally it was possible to recognize the patterns of distribution maps of concentration of sildenafil citrate, distinguishing the true formulation of Viagra. This concept can be used to improve the knowledge of industrial products and processes, as well as, for characterization of counterfeit drugs. Copyright © 2013. Published by Elsevier B.V.

  6. Characterization and wear performance of boride phases over tool steel substrates

    Directory of Open Access Journals (Sweden)

    Edgar E Vera Cárdenas

    2016-02-01

    Full Text Available This research work was conducted to characterize boride phases, obtained from the powder-pack process, on AISI H13 and D2 steel substrates, and investigate their tribological behavior. The boriding was developed at a temperature of 1273 K with an exposure time of 8 h. X-ray diffraction, scanning electron microscopy, and energy-dispersive X-ray spectroscopy were conducted on the borided material to characterize the presence of the FeB, Fe2B, and CrB phases and the distribution of heavy elements on the surface of the substrates. The adherence of the boride layers was evaluated, in a qualitative form, through the Daimler-Benz Rockwell-C indentation technique. Sliding wear tests were then performed using a reciprocating wear test machine. All tests were conducted in dry conditions at room temperature. A frequency of 10 Hz and 15-mm sliding distance were used. The applied Hertzian pressure was 2.01 GPa. Scanning electron microscopy was used to observe and analyze the wear mechanisms. Additionally, the variation of the friction coefficient versus the number of cycles was obtained. Experimental results showed that the characteristic wear mechanism for the borided surface was plastic deformation and mild abrasive wear; for unborided substrates, cracking and spalling were observed.

  7. Long-time aging behaviour of the alloy Al-2024 characterized by positron annihilation spectroscopy

    International Nuclear Information System (INIS)

    Nicht, E.-M.; Brauer, G; Tempus, G.

    2001-01-01

    The reconstruction of the precipitation structure after solution treatment has been investigated by positron annihilation spectroscopy. In this study the behaviour of samples taken from the aircraft A irbus 300', being in operation for 18 years, is compared to a reference material supplied by Alcoa. The results of positron annihilation spectroscopy show that there are no significant differences in both materials. This finding is in agreement with the results obtained from other methods within the scope of the general research program which points to a materials behaviour as predicted for a safe operation of this type of aircraft. (author)

  8. Online UV-visible spectroscopy and multivariate curve resolution as powerful tool for model-free investigation of laccase-catalysed oxidation.

    Science.gov (United States)

    Kandelbauer, A; Kessler, W; Kessler, R W

    2008-03-01

    The laccase-catalysed transformation of indigo carmine (IC) with and without a redox active mediator was studied using online UV-visible spectroscopy. Deconvolution of the mixture spectra obtained during the reaction was performed on a model-free basis using multivariate curve resolution (MCR). Thereby, the time courses of educts, products, and reaction intermediates involved in the transformation were reconstructed without prior mechanistic assumptions. Furthermore, the spectral signature of a reactive intermediate which could not have been detected by a classical hard-modelling approach was extracted from the chemometric analysis. The findings suggest that the combined use of UV-visible spectroscopy and MCR may lead to unexpectedly deep mechanistic evidence otherwise buried in the experimental data. Thus, although rather an unspecific method, UV-visible spectroscopy can prove useful in the monitoring of chemical reactions when combined with MCR. This offers a wide range of chemists a cheap and readily available, highly sensitive tool for chemical reaction online monitoring.

  9. Characterization of carotenoids in soil bacteria and investigation of their photodegradation by UVA radiation via resonance Raman spectroscopy.

    Science.gov (United States)

    Kumar B N, Vinay; Kampe, Bernd; Rösch, Petra; Popp, Jürgen

    2015-07-07

    A soil habitat consists of an enormous number of pigmented bacteria with the pigments mainly composed of diverse carotenoids. Most of the pigmented bacteria in the top layer of the soil are photoprotected from exposure to huge amounts of UVA radiation on a daily basis by these carotenoids. The photostability of these carotenoids depends heavily on the presence of specific features like a carbonyl group or an ionone ring system on its overall structure. Resonance Raman spectroscopy is one of the most sensitive and powerful techniques to detect and characterize these carotenoids and also monitor processes associated with them in their native system at a single cell resolution. However, most of the resonance Raman profiles of carotenoids have very minute differences, thereby making it extremely difficult to confirm if these differences are attributed to the presence of different carotenoids or if it is a consequence of their interaction with other cellular components. In this study, we devised a method to overcome this problem by monitoring also the photodegradation of the carotenoids in question by UVA radiation wherein a differential photodegradation response will confirm the presence of different carotenoids irrespective of the proximities in their resonance Raman profiles. Using this method, the detection and characterization of carotenoids in pure cultures of five species of pigmented coccoid soil bacteria is achieved. We also shed light on the influence of the structure of the carotenoid on its photodegradation which can be exploited for use in the characterization of carotenoids via resonance Raman spectroscopy.

  10. Characterization of dissolved organic matter in Dongjianghu Lake by UV-visible absorption spectroscopy with multivariate analysis.

    Science.gov (United States)

    Zhu, Yanzhong; Song, Yonghui; Yu, Huibin; Liu, Ruixia; Liu, Lusan; Lv, Chunjian

    2017-08-08

    UV-visible absorption spectroscopy coupled with principal component analysis (PCA) and hierarchical cluster analysis (HCA) was applied to characterize spectroscopic components, detect latent factors, and investigate spatial variations of dissolved organic matter (DOM) in a large-scale lake. Twelve surface water samples were collected from Dongjianghu Lake in China. DOM contained lignin and quinine moieties, carboxylic acid, microbial products, and aromatic and alkyl groups, which in the northern part of the lake was largely different from the southern part. Fifteen spectroscopic indices were deduced from the absorption spectra to indicate molecular weight or humification degree of DOM. The northern part of the lake presented the smaller molecular weight or the lower humification degree of DOM than the southern part. E 2/4 , E 3/4 , E 2/3 , and S 2 were latent factors of characterizing the molecular weight of DOM, while E 2/5 , E 3/5 , E 2/6 , E 4/5 , E 3/6 , and A 2/1 were latent factors of evaluating the humification degree of DOM. The UV-visible absorption spectroscopy combined with PCA and HCA may not only characterize DOM fractions of lakes, but may be transferred to other types of waterscape.

  11. Design, fabrication, and characterization of metallic nanostructures for surface-enhanced Raman spectroscopy and plasmonic applications

    Science.gov (United States)

    Hao, Qingzhen

    Metal/dielectric nanostructures have the ability to sustain coherent electron oscillations known as surface plasmons. Due to their capability of localizing and guiding light in sub-wavelength metal nanostructures beyond diffraction limits, surface plasmon-based photonics, or “plasmonics” has opened new physical phenomena and lead to novel applications in metamaterials, optoelectronics, surface enhanced spectroscopy and biological sensing. This dissertation centers on design, fabrication, characterization of metallic nanostructures and their applications in surface-enhanced Raman spectroscopy (SERS) and actively tunable plasmonics. Metal-dielectric nanostructures are the building blocks for photonic metamaterials. One valuable design guideline for metamaterials is the Babinet’s principle, which governs the optical properties of complementary nanostructures. However, most complementary metamaterials are designed for the far infrared region or beyond, where the optical absorption of metal is small. We have developed a novel dual fabrication method, capable of simultaneously producing optically thin complementary structures. From experimental measurements and theoretical simulations, we showed that Babinet’s principle qualitatively holds in the visible region for the optically thin complements. The complementary structure is also a good platform to study subtle differences between nanoparticles and nanoholes in SERS (a surface sensitive technique, which can enhance the conventional Raman cross-section by 106˜108 fold, thus very useful for highly sensitive biochemical sensing). Through experimental measurement and theoretical analysis, we showed that the SERS enhancement spectrum (plot of SERS enhancement versus excitation wavelengths), dominated by local near-field, for nanoholes closely follows their far-field optical transmission spectrum. However, the enhancement spectrum for nanoparticles red-shifts significantly from their far-field optical extinction

  12. Optimal vision system design for characterization of apples using US/VIS/NIR spectroscopy data

    DEFF Research Database (Denmark)

    Sharifzadeh, Sara; Clemmensen, Line Katrine Harder; Ersbøll, Bjarne Kjær

    2013-01-01

    Quality monitoring of the food items by spectroscopy provides information in a large number of wavelengths including highly correlated and redundant information. Although increasing the information, the increase in the number of wavelengths causes the vision set-up to be more complex and expensiv....... Furthermore, appropriate regression methods for different number of bands and spectrophotometer design are determined....

  13. Microstructure characterization of rapidly solidified Al-Fe-Cr-Ce alloy by positron annihilation spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Michalcová, A.; Vojtěch, D.; Čízek, J.; Procházka, I.; Drahokoupil, Jan; Novák, P.

    2011-01-01

    Roč. 509, č. 7 (2011), s. 3211-3218 ISSN 0925-8388 Institutional research plan: CEZ:AV0Z10100520 Keywords : metals and alloy s * nanostructured materials * rapid solidification * positron spectroscopies * transmission electron microscopy * x-ray diffraction Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.289, year: 2011

  14. Spectral characterization of crude oil using fluorescence (synchronous and time-resolved) and NIR (Near Infrared Spectroscopy); Caracterizacao espectral do petroleo utilizando fluorescencia (sincronizada e resolvida no tempo) e NIR (Near Infrared Spectroscopy)

    Energy Technology Data Exchange (ETDEWEB)

    Falla Sotelo, F.; Araujo Pantoja, P.; Lopez-Gejo, J.; Le Roux, G.A.C.; Nascimento, C.A.O. [Universidade de Sao Paulo (USP), SP (Brazil). Dept. de Engenharia Quimica. Lab. de Simulacao e Controle de Processos; Quina, F.H. [Universidade de Sao Paulo (USP), SP (Brazil). Inst. de Quimica. Centro de Capacitacao e Pesquisa em Meio Ambiente (CEPEMA)

    2008-07-01

    The objective of the present work is to evaluate the performance of two spectroscopic techniques employed in the crude oil characterization: NIR spectroscopy and fluorescence spectroscopy (Synchronous fluorescence - SF and Time Resolved Fluorescence - TRF) for the development of correlation models between spectral profiles of crude oil samples and both physical properties (viscosity and API density) and physico-chemical properties (SARA analysis: Saturated, Aromatic, Resins and Asphaltenes). The better results for viscosity and density were obtained using NIR whose prediction capacity was good (1.5 cP and 0.5 deg API, respectively). For SARA analysis, fluorescence spectroscopy revealed its potential in the model calibration showing good results (R2 coefficients greater than 0.85). TRF spectroscopy had better performance than SF spectroscopy. (author)

  15. Automated riverine landscape characterization: GIS-based tools for watershed-scale research, assessment, and management.

    Science.gov (United States)

    Williams, Bradley S; D'Amico, Ellen; Kastens, Jude H; Thorp, James H; Flotemersch, Joseph E; Thoms, Martin C

    2013-09-01

    River systems consist of hydrogeomorphic patches (HPs) that emerge at multiple spatiotemporal scales. Functional process zones (FPZs) are HPs that exist at the river valley scale and are important strata for framing whole-watershed research questions and management plans. Hierarchical classification procedures aid in HP identification by grouping sections of river based on their hydrogeomorphic character; however, collecting data required for such procedures with field-based methods is often impractical. We developed a set of GIS-based tools that facilitate rapid, low cost riverine landscape characterization and FPZ classification. Our tools, termed RESonate, consist of a custom toolbox designed for ESRI ArcGIS®. RESonate automatically extracts 13 hydrogeomorphic variables from readily available geospatial datasets and datasets derived from modeling procedures. An advanced 2D flood model, FLDPLN, designed for MATLAB® is used to determine valley morphology by systematically flooding river networks. When used in conjunction with other modeling procedures, RESonate and FLDPLN can assess the character of large river networks quickly and at very low costs. Here we describe tool and model functions in addition to their benefits, limitations, and applications.

  16. Characterization of D2 tool steel friction surfaced coatings over low carbon steel

    International Nuclear Information System (INIS)

    Sekharbabu, R.; Rafi, H. Khalid; Rao, K. Prasad

    2013-01-01

    Highlights: • Solid state coating by friction surfacing method. • D2 tool steel is coated over relatively softer low carbon steel. • Defect free interface between tool steel coating and low carbon steel substrate. • D2 coatings exhibited higher hardness and good wear resistance. • Highly refined martensitic microstructure in the coating. - Abstract: In this work D2 tool steel coating is produced over a low carbon steel substrate using friction surfacing process. The process parameters are optimized to get a defect free coating. Microstructural characterization is carried out using optical microscopy, scanning electron microscopy and X-ray diffraction. Infrared thermography is used to measure the thermal profile during friction surfacing of D2 steel. Wear performance of the coating is studied using Pin-on-Disk wear tests. A lower rotational speed of the consumable rod and higher translational speed of the substrate is found to result in thinner coatings. Friction surfaced D2 steel coating showed fine-grained martensitic microstructure compared to the as-received consumable rod which showed predominantly ferrite microstructure. Refinement of carbides in the coating is observed due to the stirring action of the process. The infrared thermography studies showed the peak temperature attained by the D2 coating to be about 1200 °C. The combined effect of martensitic microstructure and refined carbides resulted in higher hardness and wear resistance of the coating

  17. Psychometric characterization of the obstetric communication assessment tool for medical education: a pilot study.

    Science.gov (United States)

    Rodriguez, A Noel; DeWitt, Peter; Fisher, Jennifer; Broadfoot, Kirsten; Hurt, K Joseph

    2016-06-11

    To characterize the psychometric properties of a novel Obstetric Communication Assessment Tool (OCAT) in a pilot study of standardized difficult OB communication scenarios appropriate for undergraduate medical evaluation. We developed and piloted four challenging OB Standardized Patient (SP) scenarios in a sample of twenty-one third year OB/GYN clerkship students: Religious Beliefs (RB), Angry Father (AF), Maternal Smoking (MS), and Intimate Partner Violence (IPV). Five trained Standardized Patient Reviewers (SPRs) independently scored twenty-four randomized video-recorded encounters using the OCAT. Cronbach's alpha and Intraclass Correlation Coefficient-2 (ICC-2) were used to estimate internal consistency (IC) and inter-rater reliability (IRR), respectively. Systematic variation in reviewer scoring was assessed using the Stuart-Maxwell test. IC was acceptable to excellent with Cronbach's alpha values (and 95% Confidence Intervals [CI]): RB 0.91 (0.86, 0.95), AF 0.76 (0.62, 0.87), MS 0.91 (0.86, 0.95), and IPV 0.94 (0.91, 0.97). IRR was unacceptable to poor with ICC-2 values: RB 0.46 (0.40, 0.53), AF 0.48 (0.41, 0.54), MS 0.52 (0.45, 0.58), and IPV 0.67 (0.61, 0.72). Stuart-Maxwell analysis indicated systematic differences in reviewer stringency. Our initial characterization of the OCAT demonstrates important issues in communications assessment. We identify scoring inconsistencies due to differences in SPR rigor that require enhanced training to improve assessment reliability. We outline a rational process for initial communication tool validation that may be useful in undergraduate curriculum development, and acknowledge that rigorous validation of OCAT training and implementation is needed to create a valuable OB communication assessment tool.

  18. Intermediate Experimental Vehicle, ESA Program IXV ATDB Tool and Aerothermodynamic Characterization

    Science.gov (United States)

    Mareschi, Vincenzo; Ferrarella, Daniela; Zaccagnino, Elio; Tribot, Jean-Pierre; Vallee, Jean-Jacques; Haya-Ramos, Rodrigo; Rufolo, Giuseppe; Mancuso, Salvatore

    2011-05-01

    In the complex domain of the space technologies and among the different applications available in Europe, a great interest has been placed since several years in the development of re-entry technologies. Among the different achievements obtained in that field it is to be recalled the experience of the Atmospheric Re-entry Vehicle flight in 1998 and a certain number of important investments per-formed at Agency and national levels like Hermes, MSTP, Festip, X-38, FLPP, TRP, GSTP, HSTS, AREV, Pre-X. IXV (Intermediate eXperimental V ehicle) builds on these past experiences and studies and it is conceived to be the next technological step forward with respect to ARD With respect to previous European ballistic or quasi- ballistic demonstrators, IXV will have an increased in- flight manoeuvrability and the planned mission will allow verifying the performances of the required technologies against a wider re-entry corridor. This will imply from the pure technological aspect to increase the level of engagement on critical technologies and disciplines like aerodynamics/aerothermodynamics, guidance, navigation, control, thermal protection materials and in flight measurements. In order to support the TPS design and the other sub- systems, an AeroThermodynamicDataBase Tool has been developed by Dassault Aviation and integrated by Thales Alenia Space with the Functional Engineering Simulator (used for GNC performances evaluation) in order to characterize the aerothermodynamic behaviour of the vehicle. This paper will describe: - The methodology used to develop the ATDB tool, based on the processing of CFD computations and WTT campaigns results. - The utilization of the ATDB tool, by means of its integration into the System process. - The methodology used for the aerothermal characterization of IXV.

  19. Advancing spaceborne tools for the characterization of planetary ionospheres and circumstellar environments

    Science.gov (United States)

    Douglas, Ewan Streets

    This work explores remote sensing of planetary atmospheres and their circumstellar surroundings. The terrestrial ionosphere is a highly variable space plasma embedded in the thermosphere. Generated by solar radiation and predominantly composed of oxygen ions at high altitudes, the ionosphere is dynamically and chemically coupled to the neutral atmosphere. Variations in ionospheric plasma density impact radio astronomy and communications. Inverting observations of 83.4 nm photons resonantly scattered by singly ionized oxygen holds promise for remotely sensing the ionospheric plasma density. This hypothesis was tested by comparing 83.4 nm limb profiles recorded by the Remote Atmospheric and Ionospheric Detection System aboard the International Space Station to a forward model driven by coincident plasma densities measured independently via ground-based incoherent scatter radar. A comparison study of two separate radar overflights with different limb profile morphologies found agreement between the forward model and measured limb profiles. A new implementation of Chapman parameter retrieval via Markov chain Monte Carlo techniques quantifies the precision of the plasma densities inferred from 83.4 nm emission profiles. This first study demonstrates the utility of 83.4 nm emission for ionospheric remote sensing. Future visible and ultraviolet spectroscopy will characterize the composition of exoplanet atmospheres; therefore, the second study advances technologies for the direct imaging and spectroscopy of exoplanets. Such spectroscopy requires the development of new technologies to separate relatively dim exoplanet light from parent star light. High-contrast observations at short wavelengths require spaceborne telescopes to circumvent atmospheric aberrations. The Planet Imaging Concept Testbed Using a Rocket Experiment (PICTURE) team designed a suborbital sounding rocket payload to demonstrate visible light high-contrast imaging with a visible nulling coronagraph

  20. XRD and 119Sn Moessbauer spectroscopy characterization of SnSe obtained from a simple chemical route

    International Nuclear Information System (INIS)

    Bernardes-Silva, Ana Claudia; Mesquita, A.F.; Moura de Neto, E.; Porto, A.O.; Ardisson, J.D.; Lima, G.M. de; Lameiras, F.S.

    2005-01-01

    Crystalline tin selenide semiconductor was synthesized by a chemical route. Selenium powder reacted with potassium boronhydride, giving a soluble selenium species potassium seleniumhydride. The reaction of potassium seleniumhydride with tin chloride produced crystalline tin selenide, which was characterized by X-ray diffraction, 119 Sn Moessbauer spectroscopy and scanning electronic microscopy. The material was thermally treated, in nitrogen flow, at 300 and 600 deg. C for 2 h and the particle size evolution was studied by X-ray diffraction. The X-ray diffraction and 119 Sn Moessbauer results showed that a mixture of tin oxides and orthorhombic tin selenide was obtained

  1. Filtration Characterization Method as Tool to Assess Membrane Bioreactor Sludge Filterability—The Delft Experience

    Directory of Open Access Journals (Sweden)

    Maria Lousada-Ferreira

    2014-04-01

    Full Text Available Prevention and removal of fouling is often the most energy intensive process in Membrane Bioreactors (MBRs, responsible for 40% to 50% of the total specific energy consumed in submerged MBRs. In the past decade, methods were developed to quantify and qualify fouling, aiming to support optimization in MBR operation. Therefore, there is a need for an evaluation of the lessons learned and how to proceed. In this article, five different methods for measuring MBR activated sludge filterability and critical flux are described, commented and evaluated. Both parameters characterize the fouling potential in full-scale MBRs. The article focuses on the Delft Filtration Characterization method (DFCm as a convenient tool to characterize sludge properties, namely on data processing, accuracy, reproducibility, reliability, and applicability, defining the boundaries of the DFCm. Significant progress was made concerning fouling measurements in particular by using straight forward approaches focusing on the applicability of the obtained results. Nevertheless, a fouling measurement method is still to be defined which is capable of being unequivocal, concerning the fouling parameters definitions; practical and simple, in terms of set-up and operation; broad and useful, in terms of obtained results. A step forward would be the standardization of the aforementioned method to assess the sludge filtration quality.

  2. High-throughput quantitative biochemical characterization of algal biomass by NIR spectroscopy; multiple linear regression and multivariate linear regression analysis.

    Science.gov (United States)

    Laurens, L M L; Wolfrum, E J

    2013-12-18

    One of the challenges associated with microalgal biomass characterization and the comparison of microalgal strains and conversion processes is the rapid determination of the composition of algae. We have developed and applied a high-throughput screening technology based on near-infrared (NIR) spectroscopy for the rapid and accurate determination of algal biomass composition. We show that NIR spectroscopy can accurately predict the full composition using multivariate linear regression analysis of varying lipid, protein, and carbohydrate content of algal biomass samples from three strains. We also demonstrate a high quality of predictions of an independent validation set. A high-throughput 96-well configuration for spectroscopy gives equally good prediction relative to a ring-cup configuration, and thus, spectra can be obtained from as little as 10-20 mg of material. We found that lipids exhibit a dominant, distinct, and unique fingerprint in the NIR spectrum that allows for the use of single and multiple linear regression of respective wavelengths for the prediction of the biomass lipid content. This is not the case for carbohydrate and protein content, and thus, the use of multivariate statistical modeling approaches remains necessary.

  3. Characterization of exoplanet atmospheres using high-dispersion spectroscopy with the E-ELT and beyond

    Directory of Open Access Journals (Sweden)

    Snellen Ignas

    2013-04-01

    Full Text Available Ground-based high-dispersion (R ∼ 100,000 spectroscopy provides unique information on exoplanet atmospheres, inaccessible from space - even using the JWST or other future space telescopes. Recent successes in transmission- and dayside spectroscopy using CRIRES on the Very Large Telescope prelude the enormous discovery potential of high-dispersion spectrographs on the E-ELT, such as METIS in the thermal infrared, and HIRES in the optical/near-infrared. This includes the orbital inclination and masses of hundred(s of non-transiting planets, line-by-line molecular band spectra, planet rotation and global wind patterns, longitudinal spectral variations, and possibly isotopologue ratios. Thinking beyond the E-ELT, we advocate that ultimately a systematic search for oxygen in atmospheres of nearby Earth-like planets can be conducted using large arrays of relatively low-cost flux collector telescopes equipped with high-dispersion spectrographs.

  4. Measuring Near-Infrared Spectroscopy Derived Cerebral Autoregulation in Neonates: From Research Tool Toward Bedside Multimodal Monitoring

    Directory of Open Access Journals (Sweden)

    Liesbeth Thewissen

    2018-05-01

    Full Text Available Introduction: Cerebral autoregulation (CAR, the ability of the human body to maintain cerebral blood flow (CBF in a wide range of perfusion pressures, can be calculated by describing the relation between arterial blood pressure (ABP and cerebral oxygen saturation measured by near-infrared spectroscopy (NIRS. In literature, disturbed CAR is described in different patient groups, using multiple measurement techniques and mathematical models. Furthermore, it is unclear to what extent cerebral pathology and outcome can be explained by impaired CAR.Aim and methods: In order to summarize CAR studies using NIRS in neonates, a systematic review was performed in the PUBMED and EMBASE database. To provide a general overview of the clinical framework used to study CAR, the different preprocessing methods and mathematical models are described and explained. Furthermore, patient characteristics, definition of impaired CAR and the outcome according to this definition is described organized for the different patient groups.Results: Forty-six articles were included in this review. Four patient groups were established: preterm infants during the transitional period, neonates receiving specific medication/treatment, neonates with congenital heart disease and neonates with hypoxic-ischemic encephalopathy (HIE treated with therapeutic hypothermia. Correlation, coherence and transfer function (TF gain are the mathematical models most frequently used to describe CAR. The definition of impaired CAR is depending on the mathematical model used. The incidence of intraventricular hemorrhage in preterm infants is the outcome variable most frequently correlated with impaired CAR. Hypotension, disease severity, dopamine treatment, injury on magnetic resonance imaging (MRI and long term outcome are associated with impaired CAR. Prospective interventional studies are lacking in all research areas.Discussion and conclusion: NIRS derived CAR measurement is an important research

  5. Measuring Near-Infrared Spectroscopy Derived Cerebral Autoregulation in Neonates: From Research Tool Toward Bedside Multimodal Monitoring

    Science.gov (United States)

    Thewissen, Liesbeth; Caicedo, Alexander; Lemmers, Petra; Van Bel, Frank; Van Huffel, Sabine; Naulaers, Gunnar

    2018-01-01

    Introduction: Cerebral autoregulation (CAR), the ability of the human body to maintain cerebral blood flow (CBF) in a wide range of perfusion pressures, can be calculated by describing the relation between arterial blood pressure (ABP) and cerebral oxygen saturation measured by near-infrared spectroscopy (NIRS). In literature, disturbed CAR is described in different patient groups, using multiple measurement techniques and mathematical models. Furthermore, it is unclear to what extent cerebral pathology and outcome can be explained by impaired CAR. Aim and methods: In order to summarize CAR studies using NIRS in neonates, a systematic review was performed in the PUBMED and EMBASE database. To provide a general overview of the clinical framework used to study CAR, the different preprocessing methods and mathematical models are described and explained. Furthermore, patient characteristics, definition of impaired CAR and the outcome according to this definition is described organized for the different patient groups. Results: Forty-six articles were included in this review. Four patient groups were established: preterm infants during the transitional period, neonates receiving specific medication/treatment, neonates with congenital heart disease and neonates with hypoxic-ischemic encephalopathy (HIE) treated with therapeutic hypothermia. Correlation, coherence and transfer function (TF) gain are the mathematical models most frequently used to describe CAR. The definition of impaired CAR is depending on the mathematical model used. The incidence of intraventricular hemorrhage in preterm infants is the outcome variable most frequently correlated with impaired CAR. Hypotension, disease severity, dopamine treatment, injury on magnetic resonance imaging (MRI) and long term outcome are associated with impaired CAR. Prospective interventional studies are lacking in all research areas. Discussion and conclusion: NIRS derived CAR measurement is an important research tool to

  6. Characterization of iron cationic sites in ferrierite using Mössbauer spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Tabor, Edyta; Závěta, K.; Sathu, Naveen Kumar; Tvarůžková, Zdenka; Sobalík, Zdeněk

    2011-01-01

    Roč. 169, č. 1 (2011), s. 16-23 ISSN 0920-5861 R&D Projects: GA AV ČR KAN100400702; GA ČR GA203/09/1627 Institutional research plan: CEZ:AV0Z40400503 Keywords : iron ferrierites * cationic site * Mössbauer spectroscopy Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.407, year: 2011

  7. Model Biological Membranes and Possibilities of Application of Electrochemical Impedance Spectroscopy for Their Characterization

    Czech Academy of Sciences Publication Activity Database

    Skalová, Štěpánka; Vyskočil, V.; Barek, J.; Navrátil, Tomáš

    2018-01-01

    Roč. 30, č. 2 (2018), s. 207-219 ISSN 1040-0397 R&D Projects: GA ČR(CZ) GA17-05387S; GA ČR GA17-03868S Institutional support: RVO:61388955 Keywords : Electrochemical impedance spectroscopy (EIS) * Liposomes * Model membrane * Phospholipid bilayer * Planar lipid bilayer * Supported lipid bilayers * Tethered lipid bilayers Subject RIV: CG - Electrochemistry OBOR OECD: Electrochemistry (dry cells, batteries, fuel cells, corrosion metals, electrolysis) Impact factor: 2.851, year: 2016

  8. Applications of diamond crystal ATR FTIR spectroscopy to the characterization of ambers.

    Science.gov (United States)

    Guiliano, Michel; Asia, Laurence; Onoratini, Gérard; Mille, Gilbert

    2007-08-01

    Diamond crystal ATR FTIR spectroscopy is a rapid technique with virtually no sample preparation which requires small sample amounts and showed potential in the study of ambers. FTIR spectra of ambers present discriminating patterns and can be used to distinguish amber from immature resins as copal, to determine local or Baltic origin of archaeological ambers and to detect most of the falsifications encountered in the amber commercialisation.

  9. Dynamic light scattering and X-ray photoelectron spectroscopy characterization of PEGylated polymer nanocarriers: internal structure and surface properties.

    Science.gov (United States)

    Celasco, Edvige; Valente, Ilaria; Marchisio, Daniele L; Barresi, Antonello A

    2014-07-22

    In this work, nanospheres and nanocapsules are precipitated in confined impinging jet mixers through solvent displacement and characterized. Acetone and water are used as the solvent and antisolvent, respectively, together with polymethoxypolyethylene glycol cyanoacrylate-co-hexadecylcyanoacrylate and Miglyol as the copolymer and oil, respectively. Characterization is performed with dynamic light scattering, with electrophoretic measurements, and for the first time with X-ray photoelectron spectroscopy. Results show that the presence of polyethylene glycol chains seems to be more pronounced on the surface of nanospheres than on that of nanocapsules. The thickness of the copolymer layer in nanocapsules ranges from 1 to 10 nm, depending on the value of the oil:copolymer mass ratio. Fast dilution is confirmed to have a positive effect in suppressing aggregation but can induce further copolymer precipitation.

  10. SAXS Combined with UV-vis Spectroscopy and QELS: Accurate Characterization of Silver Sols Synthesized in Polymer Matrices.

    Science.gov (United States)

    Bulavin, Leonid; Kutsevol, Nataliya; Chumachenko, Vasyl; Soloviov, Dmytro; Kuklin, Alexander; Marynin, Andrii

    2016-12-01

    The present work demonstrates a validation of small-angle X-ray scattering (SAXS) combining with ultra violet and visible (UV-vis) spectroscopy and quasi-elastic light scattering (QELS) analysis for characterization of silver sols synthesized in polymer matrices. Polymer matrix internal structure and polymer chemical nature actually controlled the sol size characteristics. It was shown that for precise analysis of nanoparticle size distribution these techniques should be used simultaneously. All applied methods were in good agreement for the characterization of size distribution of small particles (less than 60 nm) in the sols. Some deviations of the theoretical curves from the experimental ones were observed. The most probable cause is that nanoparticles were not entirely spherical in form.

  11. IR spectroscopy together with multivariate data analysis as a process analytical tool for in-line monitoring of crystallization process and solid-state analysis of crystalline product

    DEFF Research Database (Denmark)

    Pöllänen, Kati; Häkkinen, Antti; Reinikainen, Satu-Pia

    2005-01-01

    -ray powder diffraction (XRPD) as a reference technique. In order to fully utilize DRIFT, the application of multivariate techniques are needed, e.g., multivariate statistical process control (MSPC), principal component analysis (PCA) and partial least squares (PLS). The results demonstrate that multivariate...... Fourier transform infra red (ATR-FTIR) spectroscopy provides valuable information on process, which can be utilized for more controlled crystallization processes. Diffuse reflectance Fourier transform infra red (DRIFT-IR) is applied for polymorphic characterization of crystalline product using X......Crystalline product should exist in optimal polymorphic form. Robust and reliable method for polymorph characterization is of great importance. In this work, infra red (IR) spectroscopy is applied for monitoring of crystallization process in situ. The results show that attenuated total reflection...

  12. Characterization of Nuclear Materials Using Complex of Non-Destructive and Mass-Spectroscopy Methods of Measurements

    International Nuclear Information System (INIS)

    Gorbunova, A.; Kramchaninov, A.

    2015-01-01

    Information and Analytical Centre for nuclear materials investigations was established in Russian Federation in the February 2 of 2009 by ROSATOM State Atomic Energy Corporation (the order #80). Its purpose is in preventing unauthorized access to nuclear materials and excluding their illicit traffic. Information and Analytical Centre includes analytical laboratory to provide composition and properties of nuclear materials of unknown origin for their identification. According to Regulation the Centre deals with: · identification of nuclear materials of unknown origin to provide information about their composition and properties; · arbitration analyzes of nuclear materials; · comprehensive research of nuclear and radioactive materials for developing techniques characterization of materials; · interlaboratory measurements; · measurements for control and accounting; · confirmatory measurements. Complex of non-destructive and mass-spectroscopy techniques was developed for the measurements. The complex consists of: · gamma-ray techniques on the base of MGAU, MGA and FRAM codes for uranium and plutonium isotopic composition; · gravimetrical technique with gamma-spectroscopy in addition for uranium content; · calorimetric technique for plutonium mass; · neutron multiplicity technique for plutonium mass; · measurement technique on the base of mass-spectroscopy for uranium isotopic composition; · measurement technique on the base of mass-spectroscopy for metallic impurities. Complex satisfies the state regulation requirements of ensuring the uniformity of measurements including the Russian Federation Federal Law on Ensuring the Uniformity of Measurements #102-FZ, Interstate Standard GOST R ISO/IEC 17025-2006, National Standards of Russian Federation GOST R 8.563-2009, GOST R 8.703-2010, Federal Regulations NRB-99/2009, OSPORB 99/2010. Created complex is provided in reference materials, equipment end certificated techniques. The complex is included in accredited

  13. Characterization of type I, II, III, IV, and V collagens by time-resolved laser-induced fluorescence spectroscopy

    Science.gov (United States)

    Marcu, Laura; Cohen, David; Maarek, Jean-Michel I.; Grundfest, Warren S.

    2000-04-01

    The relative proportions of genetically distinct collagen types in connective tissues vary with tissue type and change during disease progression, development, wound healing, aging. This study aims to 1) characterize the spectro- temporal fluorescence emission of fiber different types of collagen and 2) assess the ability of time-resolved laser- induced fluorescence spectroscopy to distinguish between collagen types. Fluorescence emission of commercially available purified samples was induced with nitrogen laser excitation pulses and detected with a MCP-PMT connected to a digital storage oscilloscope. The recorded time-resolved emission spectra displayed distinct fluorescence emission characteristics for each collagen type. The time domain information complemented the spectral domain intensity data for improved discrimination between different collagen types. Our results reveal that analysis of the fluorescence emission can be used to characterize different species of collagen. Also, the results suggest that time-resolved spectroscopy can be used for monitoring of connective tissue matrix composition changes due to various pathological and non-pathological conditions.

  14. Laccase from Aspergillus niger: A novel tool to graft multifunctional materials of interests and their characterization.

    Science.gov (United States)

    Iqbal, Hafiz M N; Kyazze, Godfrey; Tron, Thierry; Keshavarz, Tajalli

    2018-03-01

    In the present study, we propose a green route to prepare poly(3-hydroxybutyrate) [(P(3HB)] grafted ethyl cellulose (EC) based green composites with novel characteristics through laccase-assisted grafting. P(3HB) was used as a side chain whereas, EC as a backbone material under ambient processing conditions. A novel laccase obtained from Aspergillus niger through its heterologous expression in Saccharomyces cerevisiae was used as a green catalyst for grafting purposes without the use of additional initiator and/or cross-linking agents. Subsequently, the resulting P(3HB)- g -EC composites were characterized using a range of analytical and imagining techniques. Fourier transform infrared spectroscopy (FT-IR) spectra showed an increase in the hydrogen-bonding type interactions between the side chains of P(3HB) and backbone material of EC. Evidently, X-ray diffraction (XRD) analysis revealed a decrease in the crystallinity of the P(3HB)- g -EC composites as compared to the pristine individual polymers. A homogeneous P(3HB) distribution was also achieved in case of the graft composite prepared in the presence of 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulphonic acid) (ABTS) as a mediator along with laccase as compared to the composite prepared using pure laccase alone. A substantial improvement in the thermal and mechanical characteristics was observed for grafted composites up to the different extent as compared to the pristine counterparts. The hydrophobic/hydrophilic properties of the grafted composites were better than those of the pristine counterparts.

  15. High energy PIXE: A tool to characterize multi-layer thick samples

    Science.gov (United States)

    Subercaze, A.; Koumeir, C.; Métivier, V.; Servagent, N.; Guertin, A.; Haddad, F.

    2018-02-01

    High energy PIXE is a useful and non-destructive tool to characterize multi-layer thick samples such as cultural heritage objects. In a previous work, we demonstrated the possibility to perform quantitative analysis of simple multi-layer samples using high energy PIXE, without any assumption on their composition. In this work an in-depth study of the parameters involved in the method previously published is proposed. Its extension to more complex samples with a repeated layer is also presented. Experiments have been performed at the ARRONAX cyclotron using 68 MeV protons. The thicknesses and sequences of a multi-layer sample including two different layers of the same element have been determined. Performances and limits of this method are presented and discussed.

  16. High resolution hard X-ray photoemission using synchrotron radiation as an essential tool for characterization of thin solid films

    International Nuclear Information System (INIS)

    Kim, J.J.; Ikenaga, E.; Kobata, M.; Takeuchi, A.; Awaji, M.; Makino, H.; Chen, P.P.; Yamamoto, A.; Matsuoka, T.; Miwa, D.; Nishino, Y.; Yamamoto, T.; Yao, T.; Kobayashi, K.

    2006-01-01

    Recently, we have shown that hard X-ray photoemission spectroscopy using undulator X-rays at SPring-8 is quite feasible with both high resolution and high throughput. Here we report an application of hard X-ray photoemission spectroscopy to the characterization of electronic and chemical states of thin solid films, for which conventional PES is not applicable. As a typical example, we focus on the problem of the scatter in the reported band-gap values for InN. We show that oxygen incorporation into the InN film strongly modifies the valence and plays a crucial role in the band gap problem. The present results demonstrate the powerful applicability of high resolution photoemission spectroscopy with hard X-rays from a synchrotron source

  17. Transgenic tools to characterize neuronal properties of discrete populations of zebrafish neurons.

    Science.gov (United States)

    Satou, Chie; Kimura, Yukiko; Hirata, Hiromi; Suster, Maximiliano L; Kawakami, Koichi; Higashijima, Shin-ichi

    2013-09-01

    The developing nervous system consists of a variety of cell types. Transgenic animals expressing reporter genes in specific classes of neuronal cells are powerful tools for the study of neuronal network formation. We generated a wide variety of transgenic zebrafish that expressed reporter genes in specific classes of neurons or neuronal progenitors. These include lines in which neurons of specific neurotransmitter phenotypes expressed fluorescent proteins or Gal4, and lines in which specific subsets of the dorsal progenitor domain in the spinal cord expressed fluorescent proteins. Using these, we examined domain organization in the developing dorsal spinal cord, and found that there are six progenitor domains in zebrafish, which is similar to the domain organization in mice. We also systematically characterized neurotransmitter properties of the neurons that are produced from each domain. Given that reporter gene expressions occurs in a wide area of the nervous system in the lines generated, these transgenic fish should serve as powerful tools for the investigation of not only the neurons in the dorsal spinal cord but also neuronal structures and functions in many other regions of the nervous system.

  18. Characterization of coal fly ash components by laser-induced breakdown spectroscopy

    International Nuclear Information System (INIS)

    Ctvrtnickova, Tereza; Mateo, Mari-Paz; Yanez, Armando; Nicolas, Gines

    2009-01-01

    The high sensitivity of laser-induced breakdown spectroscopy (LIBS) for the detection of most of the fly ash components enables the analysis of these residues produced during the combustion of coal. Fly ash consists of oxides (SiO 2 , Al 2 O 3 , Fe 2 O 3 , CaO...) and unburnt carbon which is the major determinant of combustion efficiency in coal fired boilers. For example, an excessive amount of residual carbon dispersed in the fly ash means a significant loss of energy (Styszko et al., 2004). Standard methods employed for the analysis of fly ash make not possible a control of boiler in real time. LIBS technique can significantly reduce the time of analysis, in some cases even an online detection can be performed. For this reason, some studies have been addressed in order to demonstrate the capability of the laser-induced breakdown spectroscopy technique for the detection of carbon content in high pressure conditions typical of thermal power plants (Noda et al., 2002) and for the monitoring of unburnt carbon for the boiler control in real time (Kurihara et al., 2003). In particular, the content of unburnt carbon is a valuable indicator for the control of fly ash quality and for the boiler combustion. Depending on this unburnt carbon content, fly ash can be disposed as an industrial waste or as a raw material for the production of concrete in the construction sector. In this study, analyses were performed on specimens of various forms of preparation. Pressed pellets were prepared with two different binders. Presented results concern the nature and amount of the binder used to pelletize the powder, and the laser-induced breakdown spectroscopy parameters and procedure required to draw calibration curves of elements from the fly ash. Analysis 'on tape' was performed in order to establish the experimental conditions for the future 'online analysis'.

  19. New advanced characterization tools for PW-class lasers (Conference Presentation)

    Science.gov (United States)

    Quéré, Fabien

    2017-05-01

    Spatio-temporal couplings (STC) of laser beams are ubiquitous in ultrafast optics. In the femtosecond range, chirped-pulse amplification (CPA), the key technology of amplified ultrashort pulses, relies on the use of massive STCs induced at different locations in laser systems (for instance by gratings or prisms), which should all eventually perfectly cancel out at the laser output. Residual STCs, for example resulting from imperfect compensation, decrease the peak intensity at focus by increasing both the focal spot size and the pulse duration. This is particularly detrimental for ultrahigh-intensity (UHI) lasers, which aim for the highest possible peak intensities. However, it is precisely with these lasers that such uncontrolled defects are most likely to occur, due to the complexity of these systems and the large diameters of the output beams. Accurately measuring STCs is thus essential in ultrafast optics. Significant progress has been made in the last decade, and several techniques are now available for the partial or complete spatiotemporal characterization of near-visible femtosecond laser beams. However, none of these has yet been applied to UHI femtosecond lasers, due to the difficulty of handling these large and powerful beams. As a result, all UHI lasers are currently characterized under the unjustified and unverified assumption of the absence of STCs, using separate measurements in space and time. This situation is now becoming a major bottleneck for the development of UHI lasers and their applications. In particular, the optimal and reliable operation of PW-class lasers now available or under construction all around the world will simply not be possible without a proper spatiotemporal metrology. In this talk, we present the first complete spatiotemporal experimental reconstruction of the field E(t,r) for a 100 TW peak-power laser, obtained using self-referenced spatially-resolved Fourier transform spectroscopy [1,2], and thus reveal the spatiotemporal

  20. Characterization of a Fe inclusion in beryllium-matrix using auger electron spectroscopy

    International Nuclear Information System (INIS)

    Arkusk, R.; Moreno, D.; Simca, F.; Yeheskel, O.; Utzmoni, U.

    1991-04-01

    The auger electron spectroscopy techniques was employed to investigate the nature of an inclusion that had been revealed by radiography in a beryllium body produced by the hot isostatic press technique. The investigation's are that the inclusion is composed of several different iron-beryllium intermetallic compounds (BeFe 3 , BeFe 5 , Be 7 Fe). The conclusion drawn is that iron metal impurity was imbedded in the Be powder and that interdiffusion under the process's conditions gave rise to the enlarged inclusion. (author)

  1. Characterization of point defects in CdTe by positron annihilation spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Elsharkawy, M. R. M. [Carnegie Laboratory of Physics, SUPA, School of Science and Engineering, University of Dundee, Dundee DD1 4HN (United Kingdom); Physics Department, Faculty of Science, Minia University, P.O. Box 61519, Minia (Egypt); Kanda, G. S.; Keeble, D. J., E-mail: d.j.keeble@dundee.ac.uk [Carnegie Laboratory of Physics, SUPA, School of Science and Engineering, University of Dundee, Dundee DD1 4HN (United Kingdom); Abdel-Hady, E. E. [Physics Department, Faculty of Science, Minia University, P.O. Box 61519, Minia (Egypt)

    2016-06-13

    Positron lifetime measurements on CdTe 0.15% Zn-doped by weight are presented, trapping to monovacancy defects is observed. At low temperatures, localization at shallow binding energy positron traps dominates. To aid defect identification density functional theory, calculated positron lifetimes and momentum distributions are obtained using relaxed geometry configurations of the monovacancy defects and the Te antisite. These calculations provide evidence that combined positron lifetime and coincidence Doppler spectroscopy measurements have the capability to identify neutral or negative charge states of the monovacancies, the Te antisite, A-centers, and divacancy defects in CdTe.

  2. Infrared spectrophotometry, a rapid and effective tool for characterization of direct distillation naphthas

    International Nuclear Information System (INIS)

    Baldrich Ferrer, Carlos A; Novoa Mantilla, Luz Angela

    2005-01-01

    The characterization of naphtha obtained by direct distillation of medium and heavy crude oils is often limited by the low yield of these fractions. Gas chromatography is a technique that allows a complete determination of the chemical composition of this fraction. However, the prediction of properties such as octane rating and RVP from chromatographic data is a difficult task because there are not adequate models to predict the interaction of the different components, and particularly in the case of heavier fractions, there are some problems for the complete separation of components under the gas chromatographic conditions. The IR technology constitutes a rapid and effective tool to predict several properties of naphtha from the correlation of the spectrum in the infrared area and the properties. In this study, prediction models were developed in a Petrospec Cetane 2000 analyzer, in order to predict in a fast and simple way, the density, the antiknock index and the aromatic content of straight run naphtha obtained in a standard crude oil distillation unit. The equipment used was designed in the factory for the exclusive characterization of medium distillation and not for lighter fractions therefore this work constitutes an innovation given the extensive applications of this type of analyzers

  3. The Hall coefficient: a tool for characterizing graphene field effect transistors

    International Nuclear Information System (INIS)

    Wehrfritz, Peter; Seyller, Thomas

    2014-01-01

    Graphene field effect transistors are considered as a candidate for future high-frequency applications. For their realization, the optimal combination of substrate, graphene preparation, and insulator deposition and composition is required. This optimization must be based on an in-depth characterization of the obtained graphene insulator metal (GIM) stack. Hall effect measurements are frequently employed to study such systems, thereby focussing primarily on the charge carrier mobility. In this work we show how an analysis of the sheet Hall coefficient can reveal further important properties of the GIM stack, like, e.g., the interface trap density and the spacial charge inhomogeneity. To that end, we provide an extensive description of the GIM diode, which leads to an accurate calculation of the sheet Hall coefficient dependent on temperature and gate voltage. The gate dependent inverse sheet Hall coefficient is discussed in detail before we introduce the concept of an equivalent temperature, which is a measure of the spacial charge inhomogeneity. In order to test the concept, we apply it to evaluate already measured Hall data taken from the literature. This evaluation allows us to determine the Drude mobility, even at the charge neutrality point, which is inaccessible with a simple one band Hall mobility analysis, and to shed light on the spacial charge inhomogeneity. The formalism is easily adaptable and provides experimentalists a powerful tool for the characterization of their graphene field effect devices. (paper)

  4. Atomic Force Microscopy as a Tool for Asymmetric Polymeric Membrane Characterization

    International Nuclear Information System (INIS)

    Abdul Wahab Mohammad; Pei, L.Y.; Indok Nurul Hasyimah Mohd Amin; Rafeqah Raslan

    2011-01-01

    Atomic force microscopy (AFM) has a wide range of applications and is rapidly growing in research and development. This powerful technique has been used to visualize surfaces both in liquid or gas media. It has been considered as an effective tool to investigate the surface structure for its ability to generate high-resolution 3D images at a subnanometer range without sample pretreatment. In this paper, the use of AFM to characterize the membrane roughness is presented for commercial and self-prepared membranes for specific applications. Surface roughness has been regarded as one of the most important surface properties, and has significant effect in membrane permeability and fouling behaviour. Several scan areas were used to compare surface roughness for different membrane samples. Characterization of the surfaces was achieved by measuring the average roughness (R a ) and root mean square roughness (R rms ) of the membrane. AFM image shows that the membrane surface was composed entirely of peaks and valleys. Surface roughness is substantially greater for commercial available hydrophobic membranes, in contrast to self-prepared membranes. This study also shows that foulants deposited on membrane surface would increase the membrane roughness. (author)

  5. Surface functional group characterization using chemical derivatization X-ray photoelectron spectroscopy (CD-XPS)

    Energy Technology Data Exchange (ETDEWEB)

    Jagst, Eda

    2011-03-18

    Chemical derivatization - X-ray photolectron spectroscopy (CD-XPS) was applied successfully in order to determine different functional groups on thin film surfaces. Different amino group carrying surfaces, prepared by spin coating, self-assembly and plasma polymerization, were successfully investigated by (XPS) and near edge X-ray absorption fine structure (NEXAFS) spectroscopy. Amino groups were derivatized with the widely used primary amino group tags, pentafluorobenzaldehyde (PFB) and 4-(trifluoromethyl)-benzaldehyde (TFBA), prior to analysis. Primary amino group quantification was then carried out according to the spectroscopical data. Self-assembled monolayers (SAMs) of different terminal groups were prepared and investigated with XPS and spectra were compared with reference surfaces. An angle resolved NEXAFS measurement was applied to determine the orientation of SAMs. Plasma polymerized allylamine samples with different duty cycle, power and pressure values were prepared in order to study the effects of external plasma parameters on the primary amino group retention. CD-XPS was used to quantify the amino groups and experiments show, that the milder plasma conditions promote the retention of amino groups originating from the allylamine monomer. An interlaboratory comparison of OH group determination on plasma surfaces of polypropylene treated with oxygen plasma, was studied. The surfaces were investigated with XPS and the [OH] amount on the surfaces was calculated. (orig.)

  6. Rapid characterization of transgenic and non-transgenic soybean oils by chemometric methods using NIR spectroscopy

    Science.gov (United States)

    Luna, Aderval S.; da Silva, Arnaldo P.; Pinho, Jéssica S. A.; Ferré, Joan; Boqué, Ricard

    Near infrared (NIR) spectroscopy and multivariate classification were applied to discriminate soybean oil samples into non-transgenic and transgenic. Principal Component Analysis (PCA) was applied to extract relevant features from the spectral data and to remove the anomalous samples. The best results were obtained when with Support Vectors Machine-Discriminant Analysis (SVM-DA) and Partial Least Squares-Discriminant Analysis (PLS-DA) after mean centering plus multiplicative scatter correction. For SVM-DA the percentage of successful classification was 100% for the training group and 100% and 90% in validation group for non transgenic and transgenic soybean oil samples respectively. For PLS-DA the percentage of successful classification was 95% and 100% in training group for non transgenic and transgenic soybean oil samples respectively and 100% and 80% in validation group for non transgenic and transgenic respectively. The results demonstrate that NIR spectroscopy can provide a rapid, nondestructive and reliable method to distinguish non-transgenic and transgenic soybean oils.

  7. Electronic Transport and Raman Spectroscopy Characterization in Ion-Implanted Highly Oriented Pyrolytic Graphite

    Science.gov (United States)

    de Jesus, R. F.; Turatti, A. M.; Camargo, B. C.; da Silva, R. R.; Kopelevich, Y.; Behar, M.; Balzaretti, N. M.; Gusmão, M. A.; Pureur, P.

    2018-02-01

    We report on Raman spectroscopy, temperature-dependent in-plane resistivity, and in-plane magnetoresistance experiments in highly oriented pyrolytic graphite (HOPG) implanted with As and Mn. A pristine sample was also studied for comparison. Two different fluences were applied, φ = 0.5× 10^{16} {ions}/{cm}2 and φ = 1.0× 10^{16} {ions}/{cm}2. The implantations were carried out with 20 keV ion energy at room temperature. The Raman spectroscopy results reveal the occurrence of drastic changes of the HOPG surface as a consequence of the damage caused by ionic implantation. For the higher dose, the complete amorphization limit is attained. The resistivity and magnetoresistance results were obtained placing electrical contacts on the irradiated sample surface. Owing to the strong anisotropy of HOPG, the electrical current propagates mostly near the implanted surface. Shubnikov-de Haas (SdH) oscillations were observed in the magnetoresistance at low temperatures. These results allow the extraction of the fundamental SdH frequencies and the carriers' effective masses. In general, the resistivity and magnetoresistance results are consistent with those obtained from Raman measurements. However, one must consider that the electrical conduction in our samples occurs as in a parallel association of a largely resistive thin sheet at the surface strongly modified by disorder with a thicker layer where damage produced by implantation is less severe. The SdH oscillations do not hint to significant changes in the carrier density of HOPG.

  8. Electron Energy-Loss Spectroscopy: Fundamentals and applications in the characterization of minerals

    International Nuclear Information System (INIS)

    Krishnan, K.M.

    1989-04-01

    The combined use of an energy-loss spectrometer and an analytical electron microscope with fine probe forming capabilities provides a wealth of information about the sample at high spatial resolution. Fundamental principles governing the physics of the interaction between the fast electron and a thin foil sample, to account for the fine structure in the inelastically scattered fast electron distribution (Electron-Energy Loss Spectroscopy, EELS), will be reviewed. General application of EELS is in the area of low atomic number elements (Z < 11) microanalysis, where it significantly complements the more widely used Energy Dispersive X-ray Spectroscopy (EDXS). However, a careful analysis of the low loss plasmon oscillations and the fine structure in the core-loss edges, can provide additional information related to the bonding and electronic structure of the sample. An illustration of this is presented from our study of Cδ diamond residue from the Allende carbonaceous chondrite. Combination of EELS with channeling effects can provide specific site occupation/valence information in crystalline materials. Details of this novel crystallographic method will be outlined and illustrated with an example of the study of chromite spinels. Finally, some pertinent experimental details will be discussed. 7 figs

  9. Laser-induced breakdown spectroscopy applied to the characterization of rock by support vector machine combined with principal component analysis

    International Nuclear Information System (INIS)

    Yang Hong-Xing; Fu Hong-Bo; Wang Hua-Dong; Jia Jun-Wei; Dong Feng-Zhong; Sigrist, Markus W

    2016-01-01

    Laser-induced breakdown spectroscopy (LIBS) is a versatile tool for both qualitative and quantitative analysis. In this paper, LIBS combined with principal component analysis (PCA) and support vector machine (SVM) is applied to rock analysis. Fourteen emission lines including Fe, Mg, Ca, Al, Si, and Ti are selected as analysis lines. A good accuracy (91.38% for the real rock) is achieved by using SVM to analyze the spectroscopic peak area data which are processed by PCA. It can not only reduce the noise and dimensionality which contributes to improving the efficiency of the program, but also solve the problem of linear inseparability by combining PCA and SVM. By this method, the ability of LIBS to classify rock is validated. (paper)

  10. Laccase from Aspergillus niger: A novel tool to graft multifunctional materials of interests and their characterization

    Directory of Open Access Journals (Sweden)

    Hafiz M.N. Iqbal

    2018-03-01

    Full Text Available In the present study, we propose a green route to prepare poly(3-hydroxybutyrate [(P(3HB] grafted ethyl cellulose (EC based green composites with novel characteristics through laccase-assisted grafting. P(3HB was used as a side chain whereas, EC as a backbone material under ambient processing conditions. A novel laccase obtained from Aspergillus niger through its heterologous expression in Saccharomyces cerevisiae was used as a green catalyst for grafting purposes without the use of additional initiator and/or cross-linking agents. Subsequently, the resulting P(3HB-g-EC composites were characterized using a range of analytical and imagining techniques. Fourier transform infrared spectroscopy (FT-IR spectra showed an increase in the hydrogen-bonding type interactions between the side chains of P(3HB and backbone material of EC. Evidently, X-ray diffraction (XRD analysis revealed a decrease in the crystallinity of the P(3HB-g-EC composites as compared to the pristine individual polymers. A homogeneous P(3HB distribution was also achieved in case of the graft composite prepared in the presence of 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulphonic acid (ABTS as a mediator along with laccase as compared to the composite prepared using pure laccase alone. A substantial improvement in the thermal and mechanical characteristics was observed for grafted composites up to the different extent as compared to the pristine counterparts. The hydrophobic/hydrophilic properties of the grafted composites were better than those of the pristine counterparts. Keywords: Biological polymers, Composite materials, Laccase, Aspergillus niger

  11. Innovative analytical tools to characterize prebiotic carbohydrates of functional food interest.

    Science.gov (United States)

    Corradini, Claudio; Lantano, Claudia; Cavazza, Antonella

    2013-05-01

    Functional foods are one of the most interesting areas of research and innovation in the food industry. A functional food or functional ingredient is considered to be any food or food component that provides health benefits beyond basic nutrition. Recently, consumers have shown interest in natural bioactive compounds as functional ingredients in the diet owing to their various beneficial effects for health. Water-soluble fibers and nondigestible oligosaccharides and polysaccharides can be defined as functional food ingredients. Fructooligosaccharides (FOS) and inulin are resistant to direct metabolism by the host and reach the caecocolon, where they are used by selected groups of beneficial bacteria. Furthermore, they are able to improve physical and structural properties of food, such as hydration, oil-holding capacity, viscosity, texture, sensory characteristics, and shelf-life. This article reviews major innovative analytical developments to screen and identify FOS, inulins, and the most employed nonstarch carbohydrates added or naturally present in functional food formulations. High-performance anion-exchange chromatography with pulsed electrochemical detection (HPAEC-PED) is one of the most employed analytical techniques for the characterization of those molecules. Mass spectrometry is also of great help, in particularly matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF-MS), which is able to provide extensive information regarding the molecular weight and length profiles of oligosaccharides and polysaccharides. Moreover, MALDI-TOF-MS in combination with HPAEC-PED has been shown to be of great value for the complementary information it can provide. Some other techniques, such as NMR spectroscopy, are also discussed, with relevant examples of recent applications. A number of articles have appeared in the literature in recent years regarding the analysis of inulin, FOS, and other carbohydrates of interest in the field and

  12. Characterization of defect accumulation in neutron-irradiated Mo by positron annihilation spectroscopy

    DEFF Research Database (Denmark)

    Eldrup, Morten Mostgaard; Li, Meimei; Snead, L.L.

    2008-01-01

    Positron annihilation lifetime spectroscopy measurements were performed on neutron-irradiated low carbon arc cast Mo. Irradiation took place in the high flux isotope reactor, Oak Ridge National Laboratory, at a temperature of 80 +/- 10 degrees C. Neutron fluences ranged from 2 x 10(21) to 8 x 10(......, as predicted by molecular dynamics simulations. (C) 2008 Elsevier B.V. All rights reserved....... at a very low-dose of similar to 10(-4) dpa. The average size of the cavities did not change significantly with dose, in contrast to neutron-irradiated bcc Fe where cavity sizes increased with increasing dose. It is suggested that the in-cascade vacancy clustering may be significant in neutron-irradiated Mo...

  13. Characterization of composites prepared by sol-gel process through positrons lifetime spectroscopy

    International Nuclear Information System (INIS)

    Sousa, Edesia M.B. de; Magalhaes, Welligton F. de; Mohallem, Nelcy D.S.

    1996-01-01

    Si O 2 matrix were prepared by sol-gel method using TEOS, ethanol and H 2 O in a 1/3/10 mol ratio, with HCl and HF as catalysts. This silica gels were doped with copper and titanium adding Cu Cl and titanium tetra-iso-prop oxide in the starting solution, during agitation. The samples were prepared in monolithic shape, were dried at 110 deg C for 24 hours and thermally treated for 2 hours at 500, 900 and 1100 deg C. The structural evolution was studied y x-ray diffraction, mercury porosimetry and pycnometry. In this work, it was also used the Position Annihilation Lifetime Spectroscopy which have been used, nowadays, as a microscopic probe in order to investigate the free volume in zeolites, polymers and metallic alloy. All the samples have shown a stable pore structure until 900 deg C and a strong densification process at 1100 deg C. (author)

  14. Remote characterization of mixed waste by infrared spectroscopy: Fiscal year 1995 report

    International Nuclear Information System (INIS)

    Rebagay, T.V.; Reich, F.R.; Dodd, D.A.; Lopez, T.; Watts, J.K.; Cash, R.J.

    1995-09-01

    This report summarizes development work completed in FY 1995 on near-infrared (NIR) and Fourier Transform Infrared (FTIR) spectroscopy of determining the moisture content and solid species present in Hanford Site high-level waste. In prior fiscal years, the main emphasis was on identification of cyanide species that might be present in the ferrocyanide waste tanks, but the present thrust has been more focused on determining the moisture content of the waste. If sufficient moisture is present in the waste, propagating reactions in reactive waste are precluded, regardless of its fuel content. A prototype hot cell NIR moisture probe is now ready for hot cell deployment to sense moisture contents and homogeneity in tank waste samples

  15. Photoemission Spectroscopy Characterization of Attempts to Deposit MoO2 Thin Film

    Directory of Open Access Journals (Sweden)

    Irfan

    2011-01-01

    Full Text Available Attempts to deposit molybdenum dioxide (MoO2 thin films have been described. Electronic structure of films, deposited by thermal evaporation of MoO2 powder, had been investigated with ultraviolet photoemission and X-ray photoemission spectroscopy (UPS and XPS. The thermally evaporated films were found to be similar to the thermally evaporated MoO3 films at the early deposition stage. XPS analysis of MoO2 powder reveals presence of +5 and +6 oxidation states in Mo 3d core level along with +4 state. The residue of MoO2 powder indicates substantial reduction in higher oxidation states while keeping +4 oxidation state almost intact. Interface formation between chloroaluminum phthalocyanine (AlPc-Cl and the thermally evaporated film was also investigated.

  16. Characterization of Maghsail meteorite from Oman by Moessbauer spectroscopy, X-ray diffraction and petrographic microscopy

    International Nuclear Information System (INIS)

    Al-Rawas, A. D.; Gismelseed, A. M.; Al-Kathiri, A. F.; Elzain, M. E.; Yousif, A. A.; Al-Kathiri, S. B.; Widatallah, H. M.; Abdalla, S. B.

    2008-01-01

    The meteorite found at Maghsail (16 55 70 N-53 46 69 E) west of Salalah Oman, has been studied by 57 Fe Moessbauer spectroscopy, X-diffractometry and petrographic microscopy. In the polished section the meteorite exhibits a porphyritic texture consisting of pyroxene and olivine phenocrysts in a fine to medium grained ground mass in addition to minor phases possibly skeletal chromite, troilite and minute amount of iron oxides. X-ray diffraction supports the existence of these compounds. The Moessbauer spectra of powdered material from the core of the rock at 298 K and 78 K exhibit a mixture of magnetic and paramagnetic components. The paramagnetic components are assigned to the silicate minerals olivine and pyroxene. On the other hand, the magnetic spectra reveal the presence of troilite and iron oxides. The petrographic analyses indicate that the iron oxides are terrestrial alteration products.

  17. Using reflectance anisotropy spectroscopy to characterize capped silver nanostructures grown on silicon

    Energy Technology Data Exchange (ETDEWEB)

    Fleischer, K.; Jacob, J.; McGilp, J.F. [School of Physics, Trinity College Dublin, Dublin 2 (Ireland); Chandola, S. [School of Physics, Trinity College Dublin, Dublin 2 (Ireland); ISAS - Institute for Analytical Sciences, Department Berlin, Albert-Einstein-Strasse 9, 12489 Berlin (Germany); Esser, N. [ISAS - Institute for Analytical Sciences, Department Berlin, Albert-Einstein-Strasse 9, 12489 Berlin (Germany)

    2008-07-01

    Using the single domain Si(111)-3 x 1-Ag surface as a template, room temperature deposition of two or more monolayers of Ag leads to the formation of metallic nanostructures. Reflectance anisotropy spectroscopy (RAS) in the infrared (IR) spectral region is used to analyse the anisotropic conductivity of the structures. The anisotropy is found to be influenced by the offcut angle of the substrate, and hence the terrace width. The Ag nanostructures were capped with Si to form a near-IR transparent protecting layer. The samples are stable to exposure to ambient conditions for significant periods. The RAS spectra are compared to model calculations, which support the conclusion that the buried metallic Ag nanostructures survive the capping process. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  18. Characterization of the melting process of PTFE using positron annihilation spectroscopy

    International Nuclear Information System (INIS)

    Honda, Y; Nishijima, S

    2015-01-01

    Poly(tetrafluoroethylene) (PTFE) is a semi-crystalline polymer and the lifetime of ortho-positronium(o-Ps) is known to be able to be separated into two components due to annihilation in the crystal region and in the amorphous region. The melting process of PTFE was investigated using positron annihilation spectroscopy and X-ray diffraction. The results indicated that volume expansion with an increase of temperature is dominantly due to the expansion of the amorphous region and a Ps bubble is formed at melting in both regions. The o-Ps relating to the crystal region definitely remains on the surface of crystal at the time of annihilation. The production of lower energy electrons at melting was deduced by the analysis of the Doppler broadened annihilation photopeak, and the increase in the number of such electrons was found to have great influence on the formation of the o-Ps and annihilation processes of positron and o-Ps. (paper)

  19. Characterization of polymer composites during autoclave manufacturing by Fourier transform Raman spectroscopy

    Science.gov (United States)

    Farquharson, Stuart; Smith, Wayne W.; Rigas, Elias J.; Granville, Dana

    2001-02-01

    12 The superior engineering properties of fiber reinforced polymer matrix composites, primarily the high strength-to- weight ratio, make them suitable to applications ranging from sporting goods to aircraft components (e.g. helicopter blades). Unfortunately, consistent fabrication of components with desired mechanical properties has proven difficult, and has led to high production costs. This is largely due to the inability to monitor and control polymer cure, loosely defined as the process of polymer chain extension and cross- linking. Even with stringent process control, slight variations in the pre-polymer formulations (e.g. prepreg) can influence reaction rates, reaction mechanisms, and ultimately, product properties. In an effort to optimize the performance of thermoset composite, we have integrated fiber optic probes between the plies of laminates and monitored cure by Raman spectroscopy, with the eventual goal of process control. Here we present real-time measurements of two high performance aerospace companies cured within an industrial autoclave.

  20. System and technique for characterizing fluids using ultrasonic diffraction grating spectroscopy

    Science.gov (United States)

    Greenwood, Margaret S [Richland, WA

    2008-07-08

    A system for determining property of multiphase fluids based on ultrasonic diffraction grating spectroscopy includes a diffraction grating on a solid in contact with the fluid. An interrogation device delivers ultrasound through the solid and a captures a reflection spectrum from the diffraction grating. The reflection spectrum exhibits peaks whose relative size depends on the properties of the various phases of the multiphase fluid. For example, for particles in a liquid, the peaks exhibit dependence on the particle size and the particle volume fraction. Where the exact relationship is know know a priori, data from different peaks of the same reflection spectrum or data from the peaks of different spectra obtained from different diffraction gratings can be used to resolve the size and volume fraction.

  1. CHARACTERIZATION OF WOOD DECAY BY ROT FUNGI USING COLORIMETRY AND INFRARED SPECTROSCOPY

    Directory of Open Access Journals (Sweden)

    Mírian de Almeida Costa

    2011-09-01

    Full Text Available Wood samples of marupá (Simarouba amara and andiroba (Carapa guianenis were submitted to Trametes versicolor (white rot and Gloeophylum trabeum (brown rot fungi attack. Colorimetry was used to determine the color of the wood before and after wood decaying fungi. To evaluate the changes in chemical compounds levels in the wood samples, the diffuse reflectance medium infrared spectroscopy was used. Both wood were non resistant against white rot fungus, while with brown rot attack andiroba was resistant and marupá was not. After Gloeophyllum trabeum attack both woods changed to a darken color, and after Trametes versicolor attack andiroba changed to a lighter color and marupá darkened slightly, The analysis showed a reduction in the peak intensity of cellulose, hemicellulose and lignin, for both species, after Trametes versicolor attack and a reduction in the peak intensity of cellulose after Gloeophyllum trabeum attack.

  2. In operando Raman spectroscopy as a tool for investigation of solid oxide electrodes

    DEFF Research Database (Denmark)

    Traulsen, Marie Lund; Holtappels, Peter; Walker, Robert

    potential of combining in operando Raman spectroscopy with electrochemical characterisation, DTU Energy Conversion decided in 2014 to invest in a set-up dedicated to this purpose, At the end of the talk a short description will be given of this set-up, and the future plans will be described for combined...

  3. Electrochemical impedance spectroscopy (EIS) as a tool for measuring corrosion of polymer-coated fasteners used in treated wood

    Science.gov (United States)

    Samuel L. Zelinka; Lorraine Ortiz-Candelaria; Donald S. Stone; Douglas R. Rammer

    2009-01-01

    Currently, many of the polymer-coated fasteners on the market are designed for improved corrosion performance in treated wood; yet, there is no way to evaluate their corrosion performance. In this study, a common technique for measuring the corrosion performance of polymer-coated metals, electrochemical impedance spectroscopy (EIS), was used to evaluate commercial...

  4. Visible spectroscopy as a tool for the assessment of storage conditions of fresh pork packaged in modified atmosphere

    DEFF Research Database (Denmark)

    Spanos, Dimitrios; Christensen, Mette; Ann Tørngren, Mari

    2016-01-01

    The storage conditions of fresh meat are known to impact its colour and microbial shelf life. In the present study, visible spectroscopy was evaluated as a method to assess meat storage conditions and its optimisation. Fresh pork steaks (longissimus thoracis et lumborum and semimembranosus) were...

  5. MR imaging and MR spectroscopy for characterization of cardiomyopathies in adolescents - preliminary results

    International Nuclear Information System (INIS)

    Beer, M.; Buchner, S.; Fuchs, J.; Machann, W.; Ritter, C.O.; Beissert, M.; Darge, K.; Hahn, D.; Koestler, H.; Wirbelauer, J.

    2007-01-01

    Purpose: Cardiomyopathy is a rare but life-threatening disease in children and adolescents. Recent studies reported morphological, functional or metabolic alterations of the heart. We discuss a combined MR imaging and 31 P MR spectroscopy (MRS) protocol allowing the analysis of interdependencies between these parameters. Since normal values of cardiac MR parameters in this age group are not available, we included studies of age-matched healthy adolescents. Materials and Methods: 2D-CINE was used to assess left ventricular (LV) parameters. Additional 3D-Chemical Shift Imaging (3D-CSI) and Spectral Localization with Optimal Pointspread Function (SLOOP) reconstruction allowed quantification of the cardiac energy metabolism. Patients (n = 4; all male; age 16.8 ± 2.9 years) were included on the basis of an echocardiographic diagnosis of possible cardiomyopathy. The same protocol was applied to healthy young volunteers (n = 4; 1 female, 3 male; age 15.5 ± 0.6 years). Results: The patients had a significantly higher LV mass index compared to the control group (147 ± 41 g/m2 versus 97 ± 16 g/m2; p = 0.04). The other LV parameters (including LV EF with 59 ± 22 % versus 67 ± 10 %) showed no significant differences. The phosphocreatine to adenosine triphosphate ratio (PCr/ATP-ratio) of the patients was reduced to 1.71 ± 0.40 versus 2.44 ± 0.30 (p = 0.01), combined with a tendency towards decreased PCr concentrations of 9.1 ± 2.5 versus 7.9 ± 1.0 mmol/kg. Conclusion: The combination of 31 P MR spectroscopy and MR imaging allows quantitative determination of morphologic, functional and metabolic alterations in adolescents with suspected cardiomyopathy in one examination procedure. The reduction of energy metabolism combined with unaltered global function may indicate a primary role of metabolism in the pathogenesis of cardiomyopathies in adolescents. (orig.)

  6. Photophysical characterization and time-resolved spectroscopy of a anthradithiophene dimer: exploring the role of conformation in singlet fission

    KAUST Repository

    Dean, Jacob C.

    2017-08-18

    Quantitative singlet fission has been observed for a variety of acene derivatives such as tetracene and pentacene, and efforts to extend the library of singlet fission compounds is of current interest. Preliminary calculations suggest anthradithiophenes exhibit significant exothermicity between the first optically-allowed singlet state, S1, and 2 × T1 with an energy difference of >5000 cm−1. Given the fulfillment of this ingredient for singlet fission, here we investigate the singlet fission capability of a difluorinated anthradithiophene dimer (2ADT) covalently linked by a (dimethylsilyl)ethane bridge and derivatized by triisobutylsilylethynyl (TIBS) groups. Photophysical characterization of 2ADT and the single functionalized ADT monomer were carried out in toluene and acetone solution via absorption and fluorescence spectroscopy, and their photo-initiated dynamics were investigated with time-resolved fluorescence (TRF) and transient absorption (TA) spectroscopy. In accordance with computational predictions, two conformers of 2ADT were observed via fluorescence spectroscopy and were assigned to structures with the ADT cores trans or cis to one another about the covalent bridge. The two conformers exhibited markedly different excited state deactivation mechanisms, with the minor trans population being representative of the ADT monomer showing primarily radiative decay, while the dominant cis population underwent relaxation into an excimer geometry before internally converting to the ground state. The excimer formation kinetics were found to be solvent dependent, yielding time constants of ∼1.75 ns in toluene, and ∼600 ps in acetone. While the difference in rates elicits a role for the solvent in stabilizing the excimer structure, the rate is still decidedly long compared to most singlet fission rates of analogous dimers, suggesting that the excimer is neither a kinetic nor a thermodynamic trap, yet singlet fission was still not observed. The result

  7. Microstructure Evolution and Impedance Spectroscopy Characterization of Thermal Barrier Coating Exposed to Gas Thermal-shock Environment

    Directory of Open Access Journals (Sweden)

    CHEN Wen-long

    2017-10-01

    Full Text Available Gas thermal-shock experiment of thermal barrier coatings (TBCs was carried out in air up to 1250℃ in order to simulate the thermal cycling process of the engine blades during the start heating and shut down cooling. The growth of thermal growth oxide (TGO layer and microstructure evolution of YSZ layer during thermal cycling process were investigated systematically by electrochemical impedance spectroscopy testing and SEM. The results show that the thickness of TGO layer increases when increasing the frequency of thermal cycling, and the impedance response of middle frequencies is more and more remarkable. Meanwhile, initiation and growth of micro-cracks occur in YSZ layer during the gas thermal-shock experiment. The corresponding impedance characterization of YSZ layer after 100 cycles is similar to the as-sprayed sample, indicating that micro-cracks in short time could heal since the YSZ micro-cracks sinter at high temperature. But after 300 cycles, the impedance spectroscopy of YSZ layer is quite different to the as-sprayed sample, with the corresponding impedance of particle-gap of YSZ more and more remarkable with the increase of the thermal-shock times, indicating that non-healing micro-cracks form in the YSZ layer, which may be the main reason to induce the failure of YSZ layer.

  8. Application of MCD spectroscopy and TD-DFT to endohedral metallofullerenes for characterization of their electronic transitions.

    Science.gov (United States)

    Yamada, Michio; Slanina, Zdenek; Mizorogi, Naomi; Muranaka, Atsuya; Maeda, Yutaka; Nagase, Shigeru; Akasaka, Takeshi; Kobayashi, Nagao

    2013-03-14

    We describe, for the first time, the application of magnetic circular dichroism (MCD) spectroscopy and time-dependent density functional theory (TD-DFT) calculations using B3LYP and M06-2X functionals to characterize the electronic transitions of endohedral metallofullerenes (EMFs). Results revealed that the electronic transitions of La@C(2v)-C(82), La(2)@I(h)-C(80), and Sc(3)N@I(h)-C(80) can be assigned using these techniques. Particularly, a difference in the electronic transitions between La(2)@I(h)-C(80) and Sc(3)N@I(h)-C(80), which is invisible in absorption spectra, was observed clearly in MCD spectra. The observed MCD bands agree well with the oscillator strengths calculated using the B3LYP functional. In addition, the MCD bands of La(2)@I(h)-C(80) were altered upon [5,6]-addition, demonstrating that the MCD spectroscopy is sensitive to chemical functionalization of EMFs, and that it is therefore powerful to distinguish [5,6]-adducts from pristine La(2)@I(h)-C(80), although no marked difference exists in their absorption spectra.

  9. Oxidizing dissolution of spent MOX47 fuel subjected to water radiolysis: Solution chemistry and surface characterization by Raman spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Jegou, C., E-mail: christophe.jegou@cea.f [Commissariat a l' Energie Atomique (CEA), Marcoule Reasearch Center, B.P. 17171, F-30207 Bagnols-sur-Ceze Cedex (France); Caraballo, R.; De Bonfils, J.; Broudic, V.; Peuget, S. [Commissariat a l' Energie Atomique (CEA), Marcoule Reasearch Center, B.P. 17171, F-30207 Bagnols-sur-Ceze Cedex (France); Vercouter, T. [Commissariat a l' Energie Atomique (CEA), Saclay Reasearch Center, B.P. 11, F-91191 Gif-sur-Yvette Cedex (France); Roudil, D. [Commissariat a l' Energie Atomique (CEA), Marcoule Reasearch Center, B.P. 17171, F-30207 Bagnols-sur-Ceze Cedex (France)

    2010-04-01

    The mechanisms of oxidizing dissolution of spent MOX fuel (MIMAS TU2 (registered) ) subjected to water radiolysis were investigated experimentally by leaching spent MOX47 fuel samples in pure water at 25 deg. C under different oxidizing conditions (with and without external gamma irradiation); the leached surfaces were characterized by Raman spectroscopy. The highly oxidizing conditions resulting from external gamma irradiation significantly increased the concentration of plutonium (Pu(V)) and uranium (U(VI)) compared with a benchmark experiment (without external irradiation). The oxidation behavior of the plutonium-enriched aggregates differed significantly from that of the UO{sub 2} matrix after several months of leaching in water under gamma irradiation. The plutonium in the aggregates appears to limit fuel oxidation. The only secondary phases formed and identified to date by Raman spectroscopy are uranium peroxides that generally precipitate on the surface of the UO{sub 2} grains. Concerning the behavior of plutonium, solution analysis results appear to be compatible with a conventional explanation based on an equilibrium with a Pu(OH){sub 4(am)} phase. The fission product release - considered as a general indicator of matrix alteration - from MOX47 fuel also increases under external gamma irradiation and a change in the leaching mode is observed. Diffusive leaching was clearly identified, coinciding with the rapid onset of steady-state actinide concentrations in the bulk solution.

  10. Temporally resolved characterization of shock-heated foam target with Al absorption spectroscopy for fast electron transport study

    Energy Technology Data Exchange (ETDEWEB)

    Yabuuchi, T.; Sawada, H.; Wei, M. S.; Beg, F. N. [Center for Energy Research, University of California, San Diego, La Jolla, California 92093 (United States); Regan, S. P.; Anderson, K.; Betti, R. [Laboratory for Laser Energetics, University of Rochester, Rochester, New York 14623 (United States); Hund, J.; Paguio, R. R.; Saito, K. M.; Stephens, R. B. [General Atomics, San Diego, California 92186 (United States); Key, M. H.; Mackinnon, A. J.; McLean, H. S.; Patel, P. K.; Wilks, S. C. [Lawrence Livermore National Laboratory, Livermore, California 94551 (United States)

    2012-09-15

    The CH foam plasma produced by a laser-driven shock wave has been characterized by a temporally resolved Al 1s-2p absorption spectroscopy technique. A 200 mg/cm{sup 3} foam target with Al dopant was developed for this experiment, which used an OMEGA EP [D. D. Meyerhofer et al., J. Phys.: Conf. Ser. 244, 032010 (2010)] long pulse beam with an energy of 1.2 kJ and 3.5 ns pulselength. The plasma temperatures were inferred with the accuracy of 5 eV from the fits to the measurements using an atomic physics code. The results show that the inferred temperature is sustained at 40-45 eV between 6 and 7 ns and decreases to 25 eV at 8 ns. 2-D radiation hydrodynamic simulations show a good agreement with the measurements. Application of the shock-heated foam plasma platform toward fast electron transport experiments is discussed.

  11. Characterization of deep level defects in Tl6I4S single crystals by photo-induced current transient spectroscopy

    International Nuclear Information System (INIS)

    Peters, J A; Liu, Z; Sebastian, M; Wessels, B W; Im, J; Freeman, A J; Nguyen, S; Kanatzidis, M G

    2015-01-01

    Defect levels in semi-insulating Tl 6 I 4 S single crystals grown by the horizontal Bridgman technique have been characterized using photo-induced current transient spectroscopy (PICTS). These measurements revealed six electron traps located at (0.059  ±  0.007), (0.13  ±  0.012), (0.31  ±  0.074), (0.39  ±  0.019), (0.62  ±  0.110), and (0.597  ±  0.105). These defect levels are attributed to vacancies (V I , V S ) and antisite defects (I S , Tl S , Tl I ) upon comparison to calculations of native defect energy levels using density functional theory and defects recently reported from photoluminescence and photoconductivity measurements. (paper)

  12. Space-resolved characterization of high frequency atmospheric-pressure plasma in nitrogen, applying optical emission spectroscopy and numerical simulation

    International Nuclear Information System (INIS)

    Rajasekaran, Priyadarshini; Ruhrmann, Cornelia; Bibinov, Nikita; Awakowicz, Peter

    2011-01-01

    Averaged plasma parameters such as electron distribution function and electron density are determined by characterization of high frequency (2.4 GHz) nitrogen plasma using both experimental methods, namely optical emission spectroscopy (OES) and microphotography, and numerical simulation. Both direct and step-wise electron-impact excitation of nitrogen emissions are considered. The determination of space-resolved electron distribution function, electron density, rate constant for electron-impact dissociation of nitrogen molecule and the production of nitrogen atoms, applying the same methods, is discussed. Spatial distribution of intensities of neutral nitrogen molecule and nitrogen molecular ion from the microplasma is imaged by a CCD camera. The CCD images are calibrated using the corresponding emissions measured by absolutely calibrated OES, and are then subjected to inverse Abel transformation to determine space-resolved intensities and other parameters. The space-resolved parameters are compared, respectively, with the averaged parameters, and an agreement between them is established. (paper)

  13. The use of Scanning Tunneling Microscope as a novel characterization tool for metallic alloys

    International Nuclear Information System (INIS)

    Brezenitsky, M.; Moreh, R.; Dayan, D.; Kimmel, G.

    1996-01-01

    A novel method is reported for characterizing the microstructure of metals and alloys by utilizing the surface imaging properties of a STM (Scanning Tunneling microscope). In the present work there is no need to take advantage of the high atomic resolution of the STM, instead only gross resolution is required. Twenty different samples having different grain sizes (caused by the mosaic structure) and ranging between 20 to 200 nm were prepared. These dimensions are far below the resolution limit of optical microscopes. The samples were first studied using line profile analysis of XRD spectra while focusing on two of the most characteristic properties of steel which are: grain size and the deviation from cubic symmetry. Some of the samples showed nonuniform XRD line broadening effects, which could be attributed to a tetragonal distortion. If it is true, the samples must consist of martensitic twinned structure, as a result of the typical y to a shear transformation in steels. The samples were then studied using the STM. In general, many 1000 nm x 1000 )zm STM scans were carried out on each sample. In all cases of irregular XRD line broadening, the STM identified bands and sub-bands in the images which fitted the usual twining structure in steels. In addition, the STM images were found to show individual domains, from which histograms of the grain dimensions for each sample were prepared and compared to the XRD data. An excellent agreement was observed between tile two sets of data of grain sizes. The present method is much simpler than that which employs the Transmission Electron Microscope (TEM) as it can be carried out in air and no special requirements on sample preparation is necessary. This work establishes the STM as a very useful characterization tool for studies in metallurgy and metal physics. (author)

  14. Microdiffraction imaging—a suitable tool to characterize organic electronic devices

    Directory of Open Access Journals (Sweden)

    Clemens Liewald

    2015-10-01

    Full Text Available Tailoring device architecture and active film morphology is crucial for improving organic electronic devices. Therefore, knowledge about the local degree of crystallinity is indispensable to gain full control over device behavior and performance. In this article, we report on microdiffraction imaging as a new tool to characterize organic thin films on the sub-micron length scale. With this technique, which was developed at the ID01 beamline at the ESRF in Grenoble, a focused X-ray beam (300 nm diameter, 12.5 keV energy is scanned over a sample. The beam size guarantees high resolution, while material and structure specificity is gained by the choice of Bragg condition.Here, we explore the possibilities of microdiffraction imaging on two different types of samples. First, we measure the crystallinity of a pentacene thin film, which is partially buried beneath thermally deposited gold electrodes and a second organic film of fullerene C60. The data shows that the pentacene film structure is not impaired by the subsequent deposition and illustrates the potential of the technique to characterize artificial structures within fully functional electronic devices. Second, we investigate the local distribution of intrinsic polymorphism of pentacene thin films, which is very likely to have a substantial influence on electronic properties of organic electronic devices. An area of 40 μm by 40 μm is scanned under the Bragg conditions of the thin-film phase and the bulk phase of pentacene, respectively. To find a good compromise between beam footprint and signal intensity, third order Bragg condition is chosen. The scans show complementary signal distribution and hence demonstrate details of the crystalline structure with a lateral resolution defined by the beam footprint (300 nm by 3 μm.The findings highlight the range of applications of microdiffraction imaging in organic electronics, especially for organic field effect transistors and for organic solar

  15. Characterization of the AT180 epitope of phosphorylated Tau protein by a combined nuclear magnetic resonance and fluorescence spectroscopy approach

    International Nuclear Information System (INIS)

    Amniai, Laziza; Lippens, Guy; Landrieu, Isabelle

    2011-01-01

    Highlights: → pThr231 of the Tau protein is necessary for the binding of the AT180 antibody. → pSer235 of the Tau protein does not interfere with the AT180 recognition of pThr231. → Epitope mapping is efficiently achieved by combining NMR and FRET spectroscopy. -- Abstract: We present here the characterization of the epitope recognized by the AT180 monoclonal antibody currently used to define an Alzheimer's disease (AD)-related pathological form of the phosphorylated Tau protein. Some ambiguity remains as to the exact phospho-residue(s) recognized by this monoclonal: pThr231 or both pThr231 and pSer235. To answer this question, we have used a combination of nuclear magnetic resonance (NMR) and fluorescence spectroscopy to characterize in a qualitative and quantitative manner the phospho-residue(s) essential for the epitope recognition. Data from the first step of NMR experiments are used to map the residues bound by the antibodies, which were found to be limited to a few residues. A fluorophore is then chemically attached to a cystein residue introduced close-by the mapped epitope, at arginine 221, by mutagenesis of the recombinant protein. The second step of Foerster resonance energy transfer (FRET) between the AT180 antibody tryptophanes and the phospho-Tau protein fluorophore allows to calculate a dissociation constant Kd of 30 nM. We show that the sole pThr231 is necessary for the AT180 recognition of phospho-Tau and that phosphorylation of Ser235 does not interfere with the binding.

  16. On the use of Raman spectroscopy and instrumented indentation for characterizing damage in machined carbide ceramics

    Science.gov (United States)

    Groth, Benjamin Peter

    Machining is a necessary post-processing step in the manufacturing of many ceramic materials. Parts are machined to meet specific dimensions, with tight tolerances, not attainable from forming alone, as well as to achieve a desired surface finish. However, the machining process is very harsh, often employing the use of high temperatures and pressures to achieve the wanted result. In the case of silicon carbide, a material with extremely high hardness and stiffness, machining is very difficult and requires machining conditions that are highly aggressive. This can leave behind residual stresses in the surface of the material, cause unwanted phase transformations, and produce sub-surface deformation that can lead to failure. This thesis seeks to determine the effect of various machining conditions on the Raman spectra and elastic properties of sintered silicon carbide materials. Sample sets examined included hot-pressed silicon carbide tiles with four different surface finishes, as well as "ideal" single crystal silicon carbide wafers. The surface finishes studied were as follows: an as-pressed finish; a grit blast finish; a harsh rotary ground finish; and a mirror polish. Each finish imparts a different amount, as well as type, of deformation to the sample and are each utilized for a specific application. The sample surfaces were evaluated using a combination of Raman spectroscopy, for phase identification and stress analysis, and nanoindentation, for obtaining elastic properties and imparting uniform controlled deformation to the samples. Raman spectroscopy was performed over each sample surface using 514- and 633-nm wavelength excitation, along with confocal and non-confocal settings to study depth variation. Surfaces stresses were determined using peak shift information extracted from Raman spectra maps, while other spectral variations were used to compare levels of machining damage. Elastic modulus, hardness, and plastic work of indentation maps were generated

  17. Characterization of polyacrylamide-stabilized Pf1 phage liquid crystals for protein NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Trempe, Jean-Francois; Morin, Frederick G.; Xia Zhicheng; Marchessault, Robert H.; Gehring, Kalle [McGill University, Department of Biochemistry and Department of Chemistry (Canada)], E-mail: kalle@bri.nrc.ca

    2002-01-15

    A new polymer-stabilized nematic liquid crystal has been characterized for the measurement of biomolecular residual dipolar couplings. Filamentous Pf1 phage were embedded in a polyacrylamide matrix that fixes the orientation of the particles. The alignment was characterized by the quadrupolar splitting of the {sup 2}H NMR water signal and by the measurement of {sup 1}H-{sup 15}N residual dipolar couplings (RDC) in the archeal translation elongation factor 1{beta}. Protein dissolved in the polymer-stabilized medium orients quantitatively as in media without polyacrylamide. We show that the quadrupolar splitting and RDCs are zero in media in which the Pf1 phage particles are aligned at the magic angle. This allows measurement of J and dipolar couplings in a single sample.

  18. Characterization of polyacrylamide-stabilized Pf1 phage liquid crystals for protein NMR spectroscopy

    International Nuclear Information System (INIS)

    Trempe, Jean-Francois; Morin, Frederick G.; Xia Zhicheng; Marchessault, Robert H.; Gehring, Kalle

    2002-01-01

    A new polymer-stabilized nematic liquid crystal has been characterized for the measurement of biomolecular residual dipolar couplings. Filamentous Pf1 phage were embedded in a polyacrylamide matrix that fixes the orientation of the particles. The alignment was characterized by the quadrupolar splitting of the 2 H NMR water signal and by the measurement of 1 H- 15 N residual dipolar couplings (RDC) in the archeal translation elongation factor 1β. Protein dissolved in the polymer-stabilized medium orients quantitatively as in media without polyacrylamide. We show that the quadrupolar splitting and RDCs are zero in media in which the Pf1 phage particles are aligned at the magic angle. This allows measurement of J and dipolar couplings in a single sample

  19. Characterization of interfaces in Binary and Ternary Polymer Blends by Positron Lifetime Spectroscopy

    Science.gov (United States)

    Ranganathaiah, C.

    2015-06-01

    A miscible blend is a single-phase system with compact packing of the polymeric chains/segments due configuration/conformational changes upon blending. Differential Scanning Calorimetry (DSC) is the most employed method to ascertain whether the blend is miscible or immiscible. Positron Lifetime Spectroscopy (PLS) has been employed in recent times to study miscibility properties of polymer blends by monitoring the ortho-Positronium annihilation lifetimes as function of composition. However, just free volume monitoring and the DSC methods fail to provide the composition dependent miscibility of blends. To overcome this limitation, an alternative approach based on hydrodynamic interactions has been developed to derive this information using the same o-Ps lifetime measurements. This has led to the development of a new method of measuring composition dependent miscibility level in binary and ternary polymer blends. Further, the new method also provides interface characteristics for immiscible blends. The interactions between the blend components has a direct bearing on the strength of adhesion at the interface and hence the hydrodynamic interaction. Understanding the characteristic of interfaces which decides the miscibility level of the blend and their end applications is made easy by the present method. The efficacy of the present method is demonstrated for few binary and ternary blends.

  20. Free-volume characterization of nanostructurized substances by positron annihilation lifetime spectroscopy

    Science.gov (United States)

    Shpotyuk, O.; Ingram, A.; Shpotyuk, Ya.

    2018-02-01

    Methodological possibilities of positron annihilation lifetime (PAL) spectroscopy are examined to parameterize free-volume structural evolution processes in some nanostructurized substances obeying conversion from positronium (Ps) decaying to positron trapping. Unlike conventional x3-term fitting analysis based on admixed positron trapping and Ps decaying, the effect of nanostructurization is considered as occurring due to conversion from preferential Ps decaying in initial host matrix to positron trapping in modified (nanostructurized) host-guest matrix. The developed approach referred to as x3-x2-CDA (coupling decomposition algorithm) allows estimation defect-free bulk and defect-specific positron lifetimes of free-volume elements responsible for nanostructurization. The applicability of this approach is proved for some nanostructurized materials allowing free-volume changes through Ps-to-positron trapping conversion, such as (i) metallic Ag nanoparticles embedded in polymer matrix, (ii) structure-modification processes caused by swift heavy ions irradiation in polystyrene, and (iii) host-guest chemistry problems like water immersion in alumomagnesium spinel ceramics. This approach is considered to be used as test-indicator, separating processes of host-matrix nanostructurization due to embedded nanoparticles from uncorrelated changes in positron-trapping and Ps-decaying channels.

  1. Effect of analytical proton beam irradiation on lead-white pigments, characterized by EPR spectroscopy

    Science.gov (United States)

    Gourier, Didier; Binet, Laurent; Gonzalez, Victor; Vezin, Hervé; Touati, Nadia; Calligaro, Thomas

    2018-01-01

    Analytical techniques using proton beams with energy in the MeV range are commonly used to study archeological artefact and artistic objects. However ion beams can induce alteration of fragile materials, which is notably the case of easel paintings, limiting the use of these techniques. We used continuous wave EPR and pulse EPR spectroscopy to reveal the effect of 3 MeV proton irradiation on lead carbonates, which were extensively employed as white pigments from the antiquity to the 20th century. Two kinds of paramagnetic centers were identified in cerussite (PbCO3): the first one is CO3- radicals formed by hole trapping by CO32- ions, and the second one is NO32- radical resulting from electron trapping by NO3- impurities. Hydrocerussite (2PbCO3·Pb(OH)2) is the most darkened material under proton beam, however it exhibits no NO32- radicals and 20 times less CO3- radicals than cerussite. Consequently these paramagnetic centers are not directly responsible for the darkening of lead-white pigments. We proposed that their higher instability in hydrocerussite might be at the origin of the formation of color centers in this material.

  2. Characterization of the photoreaction between DNA and aminomethyl-trimethylpsoralen using absorption and fluorescence spectroscopy

    International Nuclear Information System (INIS)

    Johnston, B.H.; Hearst, J.E.

    1981-01-01

    The use of absorption and fluorescence spectroscopy for following the progress of the photoreaction between DNA and 4'-aminomethyl-4,5',8-trimethylpsoralen (AMT) has been investigated. Absorption at long wavelengths and fluorescence both decline upon intercalation of AMT into the DNA helix. The loss of fluorescence from AMT and the accompanying appearance of monoadduct fluorescence upon irradiation by UV light can be easily followed by using the excitation beam of a spectrofluorometer as the source of irradiation and monitoring the changing emission spectrum. Where cross-link formation is possible, the subsequent decline of monoadduct fluorescence is seen as well. This suggests that the 4',5'-monoadduct is a precursor of cross-links. Both monoaddition and cross-linking are more rapid with poly d(A-T) than with calf thymus DNA or poly d(A.T). Excitation spectra can be helpful in resolving the levels of AMT and 4',5'-monoadduct when both are contributing to the emission spectrum. Some changes are observed in the emission spectrum of AMT-poly d(A.T) monoadducts after prolonged irradiation which indicate further photoreaction. (author)

  3. Characterization of potential mineralization in Afghanistan: four permissive areas identified using imaging spectroscopy data

    Science.gov (United States)

    King, Trude V.V.; Berger, Byron R.; Johnson, Michaela R.

    2014-01-01

    As part of the U.S. Geological Survey and Department of Defense Task Force for Business and Stability Operations natural resources revitalization activities in Afghanistan, four permissive areas for mineralization, Bamyan 1, Farah 1, Ghazni 1, and Ghazni 2, have been identified using imaging spectroscopy data. To support economic development, the areas of potential mineralization were selected on the occurrence of selected mineral assemblages mapped using the HyMap™ data (kaolinite, jarosite, hydrated silica, chlorite, epidote, iron-bearing carbonate, buddingtonite, dickite, and alunite) that may be indicative of past mineralization processes in areas with limited or no previous mineral resource studies. Approximately 30 sites were initially determined to be candidates for areas of potential mineralization. Additional criteria and material used to refine the selection and prioritization process included existing geologic maps, Landsat Thematic Mapper data, and published literature. The HyMapTM data were interpreted in the context of the regional geologic and tectonic setting and used the presence of alteration mineral assemblages to identify areas with the potential for undiscovered mineral resources. Further field-sampling, mapping, and supporting geochemical analyses are necessary to fully substantiate and verify the specific deposit types in the four areas of potential mineralization.

  4. Heroin-induced leukoencephalopathy: characterization using MRI, diffusion-weighted imaging, and MR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Offiah, C. [Department of Neuroradiology, St Bartholomew' s and the London Hospitals NHS Trust, London (United Kingdom); Hall, E. [Department of Neuroradiology, St Bartholomew' s and the London Hospitals NHS Trust, London (United Kingdom)], E-mail: curtis.offiah@bartsandthelondon.nhs.uk

    2008-02-15

    Aim: To describe the magnetic resonance imaging (MRI) characteristics of heroin-induced leukoencephalopathy or 'chasing the dragon syndrome' and, in particular, the diffusion-weighted imaging (DWI) and MR spectroscopy (MRS) features. Material and methods: Six patients with a clinical or histopathological diagnosis of heroin-induced leukoencephalopathy were identified and MRI examinations, including DWI and single-voxel MRS, reviewed. Results: Cerebellar white matter was involved in all six cases demonstrating similar symmetrical distribution with sparing of the dentate nuclei. Brain stem signal change was evident in five of the six patients imaged. Supratentorial brain parenchymal involvement, as well as brain stem involvement, correlated anatomically with corticospinal tract distribution. None of the areas of signal abnormality were restricted on DWI. Of those patients subjected to MRS, the areas of parenchymal damage demonstrated reduced N-acetylaspartate, reduced choline, and elevated lactate. Conclusion: Heroin-induced leukoencephalopathy results in characteristic and highly specific signal abnormalities on MRI, which can greatly aid diagnosis. DWI and MRS findings can be explained by known reported neuropathological descriptions in this condition and can be used to support a proposed mechanism for the benefit of current recommended drug treatment regimes.

  5. Characterization of vacancy defects in Cu(In,GaSe2 by positron annihilation spectroscopy

    Directory of Open Access Journals (Sweden)

    M. R. M. Elsharkawy

    2016-12-01

    Full Text Available The photovoltaic performance of Cu(In1-x,GaxSe2 (CIGS materials is commonly assumed to be degraded by the presence of vacancy-related defects. However, experimental identification of specific vacancy defects remains challenging. In this work we report positron lifetime measurements on CIGS crystals with x = 0, and x = 0.05, saturation trapping to two dominant vacancy defect types, in both types of crystal, is observed and found to be independent of temperature between 15–300 K. Atomic superposition method calculations of the positron lifetimes for a range of vacancy defects in CIS and CGS are reported. The calculated lifetimes support the assignment of the first experimental lifetime component to monovacancy or divacancy defects, and the second to trivacancies, or possibly the large In-Se divacancy. Further, the calculated positron parameters obtained here provide evidence that positron annihilation spectroscopy has the capability to identify specific vacancy-related defects in the Cu(In1-x,GaxSe2 chalcogenides.

  6. Characterization of the Interaction between Gallic Acid and Lysozyme by Molecular Dynamics Simulation and Optical Spectroscopy

    Directory of Open Access Journals (Sweden)

    Minzhong Zhan

    2015-07-01

    Full Text Available The binding interaction between gallic acid (GA and lysozyme (LYS was investigated and compared by molecular dynamics (MD simulation and spectral techniques. The results from spectroscopy indicate that GA binds to LYS to generate a static complex. The binding constants and thermodynamic parameters were calculated. MD simulation revealed that the main driving forces for GA binding to LYS are hydrogen bonding and hydrophobic interactions. The root-mean-square deviation verified that GA and LYS bind to form a stable complex, while the root-mean-square fluctuation results showed that the stability of the GA-LYS complex at 298 K was higher than that at 310 K. The calculated free binding energies from the molecular mechanics/Poisson-Boltzmann surface area method showed that van der Waals forces and electrostatic interactions are the predominant intermolecular forces. The MD simulation was consistent with the spectral experiments. This study provides a reference for future study of the pharmacological mechanism of GA.

  7. Characterization of urban aerosol using aerosol mass spectrometry and proton nuclear magnetic resonance spectroscopy

    Science.gov (United States)

    Cleveland, M. J.; Ziemba, L. D.; Griffin, R. J.; Dibb, J. E.; Anderson, C. H.; Lefer, B.; Rappenglück, B.

    2012-07-01

    Particulate matter was measured during August and September of 2006 in Houston as part of the Texas Air Quality Study II Radical and Aerosol Measurement Project. Aerosol size and composition were determined using an Aerodyne quadrupole aerosol mass spectrometer. Aerosol was dominated by sulfate (4.1 ± 2.6 μg m-3) and organic material (5.5 ± 4.0 μg m-3), with contributions of organic material from both primary (˜32%) and secondary (˜68%) sources. Secondary organic aerosol appears to be formed locally. In addition, 29 aerosol filter samples were analyzed using proton nuclear magnetic resonance (1H NMR) spectroscopy to determine relative concentrations of organic functional groups. Houston aerosols are less oxidized than those observed elsewhere, with smaller relative contributions of carbon-oxygen double bonds. These particles do not fit 1H NMR source apportionment fingerprints for identification of secondary, marine, and biomass burning organic aerosol, suggesting that a new fingerprint for highly urbanized and industrially influenced locations be established.

  8. Detection and characterization of stomach cancer and atrophic gastritis with fluorescence and Raman spectroscopy

    Science.gov (United States)

    Li, Xiaozhou; Lin, Junxiu; Jia, Chunde; Wang, Rong

    2003-12-01

    In this paper, we attempt to find a valid method to distinguish gastric cancer and atrophic gastritis. Auto-fluorescence and Raman spectroscopy of laser induced (514.5 nm and 488.0 nm) was measured. The serum spectrum is different between normal and cancer. Average value of diagnosis parameter for normal serum, red shift is less than 12 nm and Raman relative intensity of peak C by 514.5 nm excited is stronger than that of 488.0 nm. To gastric cancer, its red shift of average is bigger than 12 nm and relative intensity of Raman peak C by 514.5 nm excited is weaker than that by 488.0 nm. To atrophic gastritis, the distribution state of Raman peaks is similar with normal serum and auto-fluorescence spectrum's shape is similar to that of gastric cancer. Its average Raman peak red shift is bigger than 12 nm and the relative intensity of peak C by 514.5 excited is stronger than that of by 488.0. We considered it as a criterion and got an accuracy of 85.6% for diagnosis of gastric cancer compared with the result of clinical diagnosis.

  9. Physicochemical characterization of Lavandula spp. honey with FT-Raman spectroscopy.

    Science.gov (United States)

    Anjos, Ofélia; Santos, António J A; Paixão, Vasco; Estevinho, Letícia M

    2018-02-01

    This study aimed to evaluate the potential of FT-Raman spectroscopy in the prediction of the chemical composition of Lavandula spp. monofloral honey. Partial Least Squares (PLS) regression models were performed for the quantitative estimation and the results were correlated with those obtained using reference methods. Good calibration models were obtained for electrical conductivity, ash, total acidity, pH, reducing sugars, hydroxymethylfurfural (HMF), proline, diastase index, apparent sucrose, total flavonoids content and total phenol content. On the other hand, the model was less accurate for pH determination. The calibration models had high r 2 (ranging between 92.8% and 99.9%), high residual prediction deviation - RPD (ranging between 4.2 and 26.8) and low root mean square errors. These results confirm the hypothesis that FT-Raman is a useful technique for the quality control and chemical properties' evaluation of Lavandula spp honey. Its application may allow improving the efficiency, speed and cost of the current laboratory analysis. Copyright © 2017 Elsevier B.V. All rights reserved.

  10. Composites characterization by sol-gel process using positron lifetime spectroscopy

    International Nuclear Information System (INIS)

    Sousa, Edesia M.B. de; Minas Gerais Univ., Belo Horizonte, MG; Magalhaes, Wellington F. de; Mohallem, Nelci D.S.

    1997-01-01

    Si O 2 matrix were prepared by sol-gel method using TEOS, ethanol and H 2 O in a 1/3/10 mole ratio, with H Cl and HF as catalysts. These silica gels were doped with copper and titanium adding Cu Cl and titanium tetra-iso-propoxide in the starting solution during agitation. The samples were prepared in monolithic shape, dried at 110 0 C for 24 hours and thermally treated for 2 hours at 500, 900 and 110 0 C for 24 hours The structural evolution was studied by X-Ray diffraction, mercury porosimetry and picnometry. In this work it was also used the Positron Annihilation Lifetime Spectroscopy which have been used , now a days, as a microscopic probe in order to investigate the free volume in zeolites, polymers and metallic alloy. All the samples have shown a stable pore structure until 900 0 C and a strong densification process at 1100 0 C. (author). 10 refs., 4 figs., 2 tabs

  11. Characterizing process effects on pharmaceutical solid forms using near-infrared spectroscopy and infrared imaging.

    Science.gov (United States)

    Roggo, Y; Jent, N; Edmond, A; Chalus, P; Ulmschneider, M

    2005-09-01

    Near-infrared spectroscopy (NIRS) has become a widely used analytical technique in the pharmaceutical industry, serving for example to determine the active substance or water content of tablets. Its great advantage lies in the minimal sample preparation required and speed of measurement. In a study designed to detect the effects of process on tablet dissolution, we describe the application of NIRS to the detection and identification of changes in uncoated and coated tablets in response to pilot-scale changes in process parameters during melt granulation, compression, and coating. Beginning with a qualitative comparison between pharmaceutical batches, we show that NIRS and principal component analysis can separate batches produced with different melt granulation parameters and differentiate between cores compressed with different compaction forces. Complementary infrared imaging can also explain the difference in dissolution properties between samples produced with different melt granulation parameters. NIRS is sensitive to changes in coating formulation, the quality of a coating excipient (hydroxypropyl methylcellulose), and coating time. In a concluding quantitative analysis, we demonstrate the feasibility of NIRS in a manufacturing context for predicting coating time and detecting production cores failing to meet dissolution test specifications.

  12. Construction and characterization of a hollow cathode tube for high sensibility laser spectroscopy

    International Nuclear Information System (INIS)

    Morage, A.; Motta, C.C.

    1998-01-01

    A new hollow cathode tube argon-iron design was developed to be used in laser atomic spectroscopy experiments, were high sensibility is required. This tube was employed in order to allow laser absorption and optogalvanic signal measurements. The tube also included fused-quartz Brewster angle windows aligned with the optical axis in each ending of the tube. Therefore, in this configuration a minimum laser intensity losses through the windows can be attained for the appropriate light polarization. The optogalvanic signal detection was accomplished using a tunable dye laser resonant with the Ar, 3p 5 4p ( 3 S 1 )--> 3p 5 4d ( 3 D 1 0 ) transition, that corresponds to 591.2 nm in air. It was also possible to determine the gas temperature by measuring the Doppler line broadening and the results were compared to those obtained from a theoretical model for gas heat conduction. To measure the temperature of the cathode external surface a thermocouple was used inside the tube. The analysis of results showed that a high signal to noise ratio can be obtained with this tube configuration, that permits experimental investigation of electronic transitions presenting low light absorption cross sections. (author)

  13. Characterization of the mechanical behavior of human skin by means of impedance spectroscopy

    Science.gov (United States)

    Pavšelj, N.; Mitar, M.; Hart, F. X.; Miklavčič, D.

    2010-04-01

    There is increased interest for the use of impedance spectroscopy to measure skin dielectric properties in vivo. The aim of such measurements can be either to evaluate the hydration state of the skin, to detect diseased states such as skin cancer, to follow the progress of transdermal drug delivery, or simply to gather data on skin tissue impedance to be used in theoretical studies. However, obtaining reliable data can be difficult. Namely, skin is a highly nonhomogeneous multi-layered structure whose composition and dimensions differ depending on the location on the body and interindividual variations. Also, impedance measurements on skin are accompanied by a number of artefacts. We performed a series of impedance measurements using an Agilent/HP 4284A precision LCR meter with parallel plate electrodes pressed on the skin, at different locations on the body. We observed substantial impedance changes over the course of the measurement. These changes can be mainly attributed to skin deformation caused by the electrodes pressing against skin. The analysis showed that skin mechanical properties and layer thicknesses can be inferred from these temporal changes. Such data on mechanical properties of skin tissue give valuable extra information, crucial for successful estimation of the impedance of different skin layers.

  14. Characterization of protein adsorption onto FePt nanoparticles using dual-focus fluorescence correlation spectroscopy

    Directory of Open Access Journals (Sweden)

    Pauline Maffre

    2011-07-01

    Full Text Available Using dual-focus fluorescence correlation spectroscopy, we have analyzed the adsorption of three human blood serum proteins, namely serum albumin, apolipoprotein A-I and apolipoprotein E4, onto polymer-coated, fluorescently labeled FePt nanoparticles (~12 nm diameter carrying negatively charged carboxyl groups on their surface. For all three proteins, a step-wise increase in hydrodynamic radius with protein concentration was observed, strongly suggesting the formation of protein monolayers that enclose the nanoparticles. Consistent with this interpretation, the absolute increase in hydrodynamic radius can be correlated with the molecular shapes of the proteins known from X-ray crystallography and solution experiments, indicating that the proteins bind on the nanoparticles in specific orientations. The equilibrium dissociation coefficients, measuring the affinity of the proteins to the nanoparticles, were observed to differ by almost four orders of magnitude. These variations can be understood in terms of the electrostatic properties of the proteins. From structure-based calculations of the surface potentials, positively charged patches of different extents can be revealed, through which the proteins interact electrostatically with the negatively charged nanoparticle surfaces.

  15. CHARACTERIZING SURFACE LAYERS IN NITINOL USING X-RAY PHOTOELECTRON SPECTROSCOPY

    Energy Technology Data Exchange (ETDEWEB)

    Christopfel, R.; Mehta, A.

    2008-01-01

    Nitinol is a shape memory alloy whose properties allow for large reversible deformations and a return to its original geometry. This nickel-titanium (NiTi) alloy has become a material used widely in the biomedical fi eld as a stent to open up collapsed arteries. Both ambient and biological conditions cause surface oxidation in these devices which in turn change its biocompatibility. The thickness of oxidized layers can cause fractures in the material if too large and can allow for penetration if too thin. Depending on the type and abundance of the chemical species on or near the surface, highly toxic metal ions can leak into the body causing cell damage or even cell death. Thus, biocompatibility of such devices is crucial. By using highly surface sensitive x-ray photoelectron spectroscopy to probe the surface of these structures, it is possible to decipher both layer composition and layer thickness. Two samples, both of which were mechanically polished, were investigated. Of the two samples, one was then exposed to a phosphate buffered saline (PBS) solution to mimic the chemical properties of blood, while the other remained unexposed. Although both samples were found to have oxide layers of appropriate thickness (on the order of a few nm), it was found that the sample exposed to the saline solution had a slightly thicker oxide layer and more signifi cantly, a phosphate layer very near the surface suggesting toxic metal components are well contained within the sample. These are considerable indications of a biocompatible device.

  16. Characterization of herbal powder blends homogeneity using near-infrared spectroscopy

    Directory of Open Access Journals (Sweden)

    Wenlong Li

    2014-11-01

    Full Text Available Homogeneity of powder blend is essential to obtain uniform contents for the tablets and capsules. Near-infrared (NIR spectroscopy with fiber-optic probe was used as an on-line technique for monitoring the homogeneity of pharmaceutical blend during the blending process instead of the traditional techniques, such as high performance liquid chromatograph (HPLC method. In this paper NIRS with a SabIR diffuse reflectance fiber-optic probe was used to monitor the blending process of coptis powder and lactose (excipient with different contents, and further qualitative methods, like similarity, moving block of standard deviation and mean square were used for calculation purposes with the collected spectra after the pretreatment of multiplicative signal correction (MSC and second derivative. Correlation spectrum was used for the wavelength selection. Four different coptis were blended with lactose separately to validate the proposed method, and the blending process of "liu wei di huang" pill was also simulated in bottles to verify this method on multiple herbal blends. The overall results suggest that NIRS is a simple, effective and noninvasive technique can be successfully applied to the determination of homogeneity in the herbal blend.

  17. Characterization of Bi4Ge3O12 single crystal by impedance spectroscopy

    Directory of Open Access Journals (Sweden)

    Zélia Soares Macedo

    2003-12-01

    Full Text Available Bi4Ge3O12 (bismuth germanate - BGO single crystals were produced by the Czochralski technique and their electrical and dielectric properties were investigated by impedance spectroscopy. The isothermal ac measurements were performed for temperatures from room temperature up to 750 °C, but only the data taken above 500 °C presented a complete semicircle in the complex impedance diagrams. Experimental data were fitted to a parallel RC equivalent circuit, and the electrical conductivity was obtained from the resistivity values. Conductivity values from 5.4 × 10(9 to 4.3 × 10-7 S/cm were found in the temperature range of 500 to 750 °C. This electrical conductivity is thermally activated, following the Arrhenius law with an apparent activation energy of (1.41 ± 0.04 eV. The dielectric properties of BGO single crystal were also studied for the same temperature interval. Permittivity values of 20 ± 2 for frequencies higher than 10³ Hz and a low-frequency dispersion were observed. Both electric and dielectric behavior of BGO are typical of systems in which the conduction mechanism dominates the dielectric response.

  18. Characterization of Non-Polar ZnO Layers with Positron Annihilation Spectroscopy

    Science.gov (United States)

    Zubiaga, A.; Tuomisto, F.; Zúñiga-Pérez, J.; Muñoz-San José, V.

    2008-11-01

    We applied positron annihilation spectroscopy to study the effect of growth polarity on the vacancy defects in ZnO grown by metal-organic vapor phase deposition on sapphire. Both c-plane and a-plane ZnO layers were measured, and Zn vacancies were identified as the dominant defects detected by positrons. The results are qualitatively similar to those of earlier experiments in GaN. The Zn vacancy concentration decreases in c-plane ZnO by almost one order of magnitude (from high 1017 cm-3 to low 1017 cm-3) when the layer thickness is increased from 0.5 to 2 μm. Interestingly, in a-plane ZnO the Zn vacancy concentration is constant at a level of about 2×1017 cm-3 in all the samples with thicknesses varying from 0.6 to 2.4 μm. The anisotropy of the Doppler broadening of the annihilation radiation parallel and perpendicular to the hexagonal c-axis was also measured.

  19. X-ray photoelectron spectroscopy characterization of high dose carbon-implanted steel and titanium alloys

    Science.gov (United States)

    Viviente, J. L.; García, A.; Alonso, F.; Braceras, I.; Oñate, J. I.

    1999-04-01

    A study has been made of the depth dependence of the atomic fraction and chemical bonding states of AISI 440C martensitic stainless steel and Ti-6Al-4V alloy implanted with 75 keV C + at very high doses (above 10 18 ions cm -2), by means of X-ray photoelectron spectroscopy combined with an Ar + sputtering. A Gaussian-like carbon distribution was observed on both materials at the lowest implanted dose. More trapezoidal carbon depth-profiles were found with increasing implanted doses, and a pure carbon layer was observed only on the titanium alloy implanted at the highest dose. The implanted carbon was combined with both base metal and carbon itself to form metallic carbides and graphitic carbon. Furthermore, carbon-enriched carbides were also found by curve fitting the C 1s spectra. The titanium alloy showed a higher carbidic contribution than the steel implanted at the same C + doses. A critical carbon concentrations of about 33 at.% and 23 at.% were measured for the formation of C-C bonds in Ti-6Al-4V and steel samples, respectively. The carbon atoms were bound with metal to form carbidic compounds until these critical concentrations were reached; when this C concentration was exceeded the proportion of C-C bonds increased and resulted in the growth of carbonaceous layers.

  20. Rapid Characterization of Fatty Acids in Oleaginous Microalgae by Near-Infrared Spectroscopy

    Directory of Open Access Journals (Sweden)

    Bin Liu

    2015-03-01

    Full Text Available The key properties of microalgal biodiesel are largely determined by the composition of its fatty acid methyl esters (FAMEs. The gas chromatography (GC based techniques for fatty acid analysis involve energy-intensive and time-consuming procedures and thus are less suitable for high-throughput screening applications. In the present study, a novel quantification method for microalgal fatty acids was established based on the near-infrared spectroscopy (NIRS technique. The lyophilized cells of oleaginous Chlorella containing different contents of lipids were scanned by NIRS and their fatty acid profiles were determined by GC-MS. NIRS models were developed based on the chemometric correlation of the near-infrared spectra with fatty acid profiles in algal biomass. The optimized NIRS models showed excellent performances for predicting the contents of total fatty acids, C16:0, C18:0, C18:1 and C18:3, with the coefficient of determination (R2 being 0.998, 0.997, 0.989, 0.991 and 0.997, respectively. Taken together, the NIRS method established here bypasses the procedures of cell disruption, oil extraction and transesterification, is rapid, reliable, and of great potential for high-throughput applications, and will facilitate the screening of microalgal mutants and optimization of their growth conditions for biodiesel production.

  1. Characterization of tunable light source by optical parametric oscillator for high resolution spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Wu, J. W. [Ewha Womens Univ., Seoul (Korea); Rhee, B. G. [Sejong Univ., Seoul (Korea); Park, S. W. [Yonsei Univ., Seoul (Korea); Noh, J. W. [Inha Univ., Incheon (Korea)

    1998-04-01

    A tunable light source is developed by the optical parametric oscillator, which is very useful for a high resolution spectroscopy. The electronic structure of molecules and atoms can be examined by a proper coherent light source. Optical parametric oscillator provides light sources stable and widely tunable. In this work, the characteristics of the parametric optical generation are examined in the LiNbO{sub 3}. The theoretical analysis as well as the experimental measurement is performed. The pump laser is a second harmonic of Nd:YAG laser, and the parametric gain is measured. The characteristics of singly resonant oscillator and doubly resonant oscillator is studied as a function of temperature. It is found that 1mole% MgO:LiNbO{sub 3} crystal provides the tunability from 0.6{mu}m to 3.0{mu}m wavelength. Both the critical and noncritical phase matching are studied. The optical damage occurring in a congruent LiNbO{sub 3} crystal was not observed in 1mole% MgO:LiNbO{sub 3} crystal, opening a possibility for a high power optical parametric oscillation generation. The current work can be extended to an experiment employing the fundamental Nd:YAG as pump to provide a coherent light source for the study of molecular vibrations. 28 refs., 14 figs., 3 tabs. (Author)

  2. Microscopy and Cathodoluminescence Spectroscopy Characterization of Quartz Exhibiting Different Alkali-Silica Reaction Potential.

    Science.gov (United States)

    Kuchařová, Aneta; Götze, Jens; Šachlová, Šárka; Pertold, Zdeněk; Přikryl, Richard

    2016-02-01

    Different quartz types from several localities in the Czech Republic and Sweden were examined by polarizing microscopy combined with cathodoluminescence (CL) microscopy, spectroscopy, and petrographic image analysis, and tested by use of an accelerated mortar bar test (following ASTM C1260). The highest alkali-silica reaction potential was indicated by very fine-grained chert, containing significant amounts of fine-grained to cryptocrystalline matrix. The chert exhibited a dark red CL emission band at ~640 nm with a low intensity. Fine-grained orthoquartzites, as well as fine-grained metamorphic vein quartz, separated from phyllite exhibited medium expansion values. The orthoquartzites showed various CL of quartz grains, from blue through violet, red, and brown. Two CL spectral bands at ~450 and ~630 nm, with various intensities, were detected. The quartz from phyllite displayed an inhomogeneous dark red CL with two CL spectral bands of low intensities at ~460 and ~640 nm. The massive coarse-grained pegmatite quartz from pegmatite was assessed to be nonreactive and displayed a typical short-lived blue CL (~480 nm). The higher reactivity of the fine-grained hydrothermal quartz may be connected with high concentrations of defect centers, and probably with amorphized micro-regions in the quartz, respectively; indicated by a yellow CL emission (~570 nm).

  3. Acoustic holography as a metrological tool for characterizing medical ultrasound sources and fields

    Science.gov (United States)

    Sapozhnikov, Oleg A.; Tsysar, Sergey A.; Khokhlova, Vera A.; Kreider, Wayne

    2015-01-01

    Acoustic holography is a powerful technique for characterizing ultrasound sources and the fields they radiate, with the ability to quantify source vibrations and reduce the number of required measurements. These capabilities are increasingly appealing for meeting measurement standards in medical ultrasound; however, associated uncertainties have not been investigated systematically. Here errors associated with holographic representations of a linear, continuous-wave ultrasound field are studied. To facilitate the analysis, error metrics are defined explicitly, and a detailed description of a holography formulation based on the Rayleigh integral is provided. Errors are evaluated both for simulations of a typical therapeutic ultrasound source and for physical experiments with three different ultrasound sources. Simulated experiments explore sampling errors introduced by the use of a finite number of measurements, geometric uncertainties in the actual positions of acquired measurements, and uncertainties in the properties of the propagation medium. Results demonstrate the theoretical feasibility of keeping errors less than about 1%. Typical errors in physical experiments were somewhat larger, on the order of a few percent; comparison with simulations provides specific guidelines for improving the experimental implementation to reduce these errors. Overall, results suggest that holography can be implemented successfully as a metrological tool with small, quantifiable errors. PMID:26428789

  4. Immunological techniques as tools to characterize the subsurface microbial community at a trichloroethylene contaminated site

    Energy Technology Data Exchange (ETDEWEB)

    Fliermans, C.B.; Dougherty, J.M.; Franck, M.M.; McKinzey, P.C.; Hazen, T.C.

    1992-01-01

    Effective in situ bioremediation strategies require an understanding of the effects pollutants and remediation techniques have on subsurface microbial communities. Therefore, detailed characterization of a site's microbial communities is important. Subsurface sediment borings and water samples were collected from a trichloroethylene (TCE) contaminated site, before and after horizontal well in situ air stripping and bioventing, as well as during methane injection for stimulation of methane-utilizing microorganisms. Subsamples were processed for heterotrophic plate counts, acridine orange direct counts (AODC), community diversity, direct fluorescent antibodies (DFA) enumeration for several nitrogen-transforming bacteria, and Biolog [reg sign] evaluation of enzyme activity in collected water samples. Plate counts were higher in near-surface depths than in the vadose zone sediment samples. During the in situ air stripping and bioventing, counts increased at or near the saturated zone, remained elevated throughout the aquifer, but did not change significantly after the air stripping. Sporadic increases in plate counts at different depths as well as increased diversity appeared to be linked to differing lithologies. AODCs were orders of magnitude higher than plate counts and remained relatively constant with depth except for slight increases near the surface depths and the capillary fringe. Nitrogen-transforming bacteria, as measured by serospecific DFA, were greatly affected both by the in situ air stripping and the methane injection. Biolog[reg sign] activity appeared to increase with subsurface stimulation both by air and methane. The complexity of subsurface systems makes the use of selective monitoring tools imperative.

  5. Immunological techniques as tools to characterize the subsurface microbial community at a trichloroethylene contaminated site

    Energy Technology Data Exchange (ETDEWEB)

    Fliermans, C.B.; Dougherty, J.M.; Franck, M.M.; McKinzey, P.C.; Hazen, T.C.

    1992-12-31

    Effective in situ bioremediation strategies require an understanding of the effects pollutants and remediation techniques have on subsurface microbial communities. Therefore, detailed characterization of a site`s microbial communities is important. Subsurface sediment borings and water samples were collected from a trichloroethylene (TCE) contaminated site, before and after horizontal well in situ air stripping and bioventing, as well as during methane injection for stimulation of methane-utilizing microorganisms. Subsamples were processed for heterotrophic plate counts, acridine orange direct counts (AODC), community diversity, direct fluorescent antibodies (DFA) enumeration for several nitrogen-transforming bacteria, and Biolog {reg_sign} evaluation of enzyme activity in collected water samples. Plate counts were higher in near-surface depths than in the vadose zone sediment samples. During the in situ air stripping and bioventing, counts increased at or near the saturated zone, remained elevated throughout the aquifer, but did not change significantly after the air stripping. Sporadic increases in plate counts at different depths as well as increased diversity appeared to be linked to differing lithologies. AODCs were orders of magnitude higher than plate counts and remained relatively constant with depth except for slight increases near the surface depths and the capillary fringe. Nitrogen-transforming bacteria, as measured by serospecific DFA, were greatly affected both by the in situ air stripping and the methane injection. Biolog{reg_sign} activity appeared to increase with subsurface stimulation both by air and methane. The complexity of subsurface systems makes the use of selective monitoring tools imperative.

  6. New tools for characterizing swarming systems: A comparison of minimal models

    Science.gov (United States)

    Huepe, Cristián; Aldana, Maximino

    2008-05-01

    We compare three simple models that reproduce qualitatively the emergent swarming behavior of bird flocks, fish schools, and other groups of self-propelled agents by using a new set of diagnosis tools related to the agents’ spatial distribution. Two of these correspond in fact to different implementations of the same model, which had been previously confused in the literature. All models appear to undergo a very similar order-to-disorder phase transition as the noise level is increased if we only compare the standard order parameter, which measures the degree of agent alignment. When considering our novel quantities, however, their properties are clearly distinguished, unveiling previously unreported qualitative characteristics that help determine which model best captures the main features of realistic swarms. Additionally, we analyze the agent clustering in space, finding that the distribution of cluster sizes is typically exponential at high noise, and approaches a power-law as the noise level is reduced. This trend is sometimes reversed at noise levels close to the phase transition, suggesting a non-trivial critical behavior that could be verified experimentally. Finally, we study a bi-stable regime that develops under certain conditions in large systems. By computing the probability distributions of our new quantities, we distinguish the properties of each of the coexisting metastable states. Our study suggests new experimental analyses that could be carried out to characterize real biological swarms.

  7. Affinity purification using recombinant PXR as a tool to characterize environmental ligands.

    Science.gov (United States)

    Dagnino, Sonia; Bellet, Virginie; Grimaldi, Marina; Riu, Anne; Aït-Aïssa, Sélim; Cavaillès, Vincent; Fenet, Hélène; Balaguer, Patrick

    2014-02-01

    Many environmental endocrine disrupting compounds act as ligands for nuclear receptors. The human pregnane X receptor (hPXR), for instance, is activated by a variety of environmental ligands such as steroids, pharmaceutical drugs, pesticides, alkylphenols, polychlorinated biphenyls and polybromo diethylethers. Some of us have previously reported the occurrence of hPXR ligands in environmental samples but failed to identify them. The aim of this study was to test whether a PXR-affinity column, in which recombinant hPXR was immobilized on solid support, could help the purification of these chemicals. Using PXR ligands of different affinity (10 nM < EC50 < 10 μM), we demonstrated that the PXR-affinity preferentially column captured ligands with medium to high affinities (EC50 < 1 μM). Furthermore, by using the PXR-affinity column to analyze an environmental sample containing ERα, AhR, AR, and PXR activities, we show that (i) half of the PXR activity of the sample was due to compounds with medium to high affinity for PXR and (ii) PXR shared ligands with ERα, AR, and AhR. These findings demonstrate that the newly developed PXR-affinity column coupled to reporter cell lines represents a valuable tool for the characterization of the nature of PXR active compounds and should therefore guide and facilitate their further analysis. Copyright © 2012 Wiley Periodicals, Inc., a Wiley company.

  8. Acoustic holography as a metrological tool for characterizing medical ultrasound sources and fields.

    Science.gov (United States)

    Sapozhnikov, Oleg A; Tsysar, Sergey A; Khokhlova, Vera A; Kreider, Wayne

    2015-09-01

    Acoustic holography is a powerful technique for characterizing ultrasound sources and the fields they radiate, with the ability to quantify source vibrations and reduce the number of required measurements. These capabilities are increasingly appealing for meeting measurement standards in medical ultrasound; however, associated uncertainties have not been investigated systematically. Here errors associated with holographic representations of a linear, continuous-wave ultrasound field are studied. To facilitate the analysis, error metrics are defined explicitly, and a detailed description of a holography formulation based on the Rayleigh integral is provided. Errors are evaluated both for simulations of a typical therapeutic ultrasound source and for physical experiments with three different ultrasound sources. Simulated experiments explore sampling errors introduced by the use of a finite number of measurements, geometric uncertainties in the actual positions of acquired measurements, and uncertainties in the properties of the propagation medium. Results demonstrate the theoretical feasibility of keeping errors less than about 1%. Typical errors in physical experiments were somewhat larger, on the order of a few percent; comparison with simulations provides specific guidelines for improving the experimental implementation to reduce these errors. Overall, results suggest that holography can be implemented successfully as a metrological tool with small, quantifiable errors.

  9. In-line monitoring of cocrystallization process and quantification of carbamazepine-nicotinamide cocrystal using Raman spectroscopy and chemometric tools

    Science.gov (United States)

    Soares, Frederico L. F.; Carneiro, Renato L.

    2017-06-01

    A cocrystallization process may involve several molecular species, which are generally solid under ambient conditions. Thus, accurate monitoring of different components that might appear during the reaction is necessary, as well as quantification of the final product. This work reports for the first time the synthesis of carbamazepine-nicotinamide cocrystal in aqueous media with a full conversion. The reactions were monitored by Raman spectroscopy coupled with Multivariate Curve Resolution - Alternating Least Squares, and the quantification of the final product among its coformers was performed using Raman spectroscopy and Partial Least Squares regression. The slurry reaction was made in four different conditions: room temperature, 40 °C, 60 °C and 80 °C. The slurry reaction at 80 °C enabled a full conversion of initial substrates into the cocrystal form, using water as solvent for a greener method. The employment of MCR-ALS coupled with Raman spectroscopy enabled to observe the main steps of the reactions, such as drug dissolution, nucleation and crystallization of the cocrystal. The PLS models gave mean errors of cross validation around 2.0 (% wt/wt), and errors of validation between 2.5 and 8.2 (% wt/wt) for all components. These were good results since the spectra of cocrystals and the physical mixture of the coformers present some similar peaks.

  10. Solid-state characterization of triamcinolone acetonide nanosuspensiones by X-ray spectroscopy, ATR Fourier transforms infrared spectroscopy and differential scanning calorimetry analysis

    Directory of Open Access Journals (Sweden)

    Eva García-Millán

    2017-12-01

    Full Text Available The data presented in this article describe the physical state of the triamcinolone acetonide (TA in nanosuspension stabilized with polyvinyl alcohol (PVA and poloxamer 407 (PL. The data were assessed by X-ray spectroscopy, ATR Fourier transforms infrared spectroscopy measurements (FTIR, and Differential scanning calorimetry (DSC analysis. PVA, PL and polymeric mixture (PVA and PL were compared with nanosuspension and the interactions between drug triamcinolone acetonide and polymers were studied. The data are related and are complementary to the research article entitle “Improved release of triamcinolone acetonide from medicated soft contact lenses loaded with drug nanosuspensions” (García-Millán et al., 2017 [1]. Keywords: Triamcinolona acetonide nanosuspensiones, X-ray spectroscopy, FTIR spectroscopy, DSC

  11. Single-step biosynthesis and characterization of silver nanoparticles using Zornia diphylla leaves: A potent eco-friendly tool against malaria and arbovirus vectors.

    Science.gov (United States)

    Govindarajan, Marimuthu; Rajeswary, Mohan; Muthukumaran, Udaiyan; Hoti, S L; Khater, Hanem F; Benelli, Giovanni

    2016-08-01

    Mosquitoes (Diptera: Culicidae) are vectors of important pathogens and parasites, including malaria, dengue, chikungunya, Japanese encephalitis, lymphatic filariasis and Zika virus. The application of synthetic insecticides causes development of resistance, biological magnification of toxic substances through the food chain, and adverse effects on the environment and human health. In this scenario, eco-friendly control tools of mosquito vectors are a priority. Here single-step fabrication of silver nanoparticles (AgNP) using a cheap aqueous leaf extract of Zornia diphylla as reducing and capping agent pf Ag(+) ions has been carried out. Biosynthesized AgNP were characterized by UV-visible spectrophotometry, Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy-dispersive spectroscopy (EDX) and X-ray diffraction analysis (XRD). The acute toxicity of Z. diphylla leaf extract and biosynthesized AgNP was evaluated against larvae of the malaria vector Anopheles subpictus, the dengue vector Aedes albopictus and the Japanese encephalitis vector Culex tritaeniorhynchus. Both the Z. diphylla leaf extract and Ag NP showed dose dependent larvicidal effect against all tested mosquito species. Compared to the leaf aqueous extract, biosynthesized Ag NP showed higher toxicity against An. subpictus, Ae. albopictus, and Cx. tritaeniorhynchus with LC50 values of 12.53, 13.42 and 14.61μg/ml, respectively. Biosynthesized Ag NP were found safer to non-target organisms Chironomus circumdatus, Anisops bouvieri and Gambusia affinis, with the respective LC50 values ranging from 613.11 to 6903.93μg/ml, if compared to target mosquitoes. Overall, our results highlight that Z. diphylla-fabricated Ag NP are a promising and eco-friendly tool against larval populations of mosquito vectors of medical and veterinary importance, with negligible toxicity against other non-target organisms. Copyright © 2016 Elsevier B

  12. Moessbauer spectroscopy for characterizing biodegradation of magnetic nanoparticles in a living organism

    Energy Technology Data Exchange (ETDEWEB)

    Mischenko, Ilya Nikitich, E-mail: IlyaMischenko@rambler.ru; Chuev, Michail Alexandrovich; Cherepanov, Valeriy Mihailovich; Polikarpov, Michail Alexeevich [National Research Centre ' Kurchatov Institute' (Russian Federation)

    2012-03-15

    We have developed a model for describing nanoparticles magnetic dynamics. This allows us to fit self-consistently the wide set of the experimental data, particularly, the evolution of Moessbauer spectral shape with temperature and external magnetic field as well as the magnetization curves for nanoparticles injected into mice. Thus, we reliably evaluate changes in characteristics of the nanoparticles and their chemical transformation to ferritin-like forms in mouse's organs as a function of time after injection of nanoparticles. Actually, the approach allows one to quantitatively characterize biodegradation and biotransformation of magnetic particles in a body.

  13. Mössbauer spectroscopy for characterizing biodegradation of magnetic nanoparticles in a living organism

    International Nuclear Information System (INIS)

    Mischenko, Ilya Nikitich; Chuev, Michail Alexandrovich; Cherepanov, Valeriy Mihailovich; Polikarpov, Michail Alexeevich

    2012-01-01

    We have developed a model for describing nanoparticles magnetic dynamics. This allows us to fit self-consistently the wide set of the experimental data, particularly, the evolution of Mössbauer spectral shape with temperature and external magnetic field as well as the magnetization curves for nanoparticles injected into mice. Thus, we reliably evaluate changes in characteristics of the nanoparticles and their chemical transformation to ferritin-like forms in mouse’s organs as a function of time after injection of nanoparticles. Actually, the approach allows one to quantitatively characterize biodegradation and biotransformation of magnetic particles in a body.

  14. Characterization of proton in Y-doped SrZrO3 polycrystal by IR spectroscopy

    International Nuclear Information System (INIS)

    Hibino, T.; Mizutani, K.; Yajima, T.; Iwahara, H.

    1992-01-01

    To characterize proton in Y-doped SrZrO 3 polycrystal, protonic conductivities and infrared spectra were measured. IR spectra exhibited 2 OH bands in 3500-2800 and 2650-2300 cm -1 regions, indicating that proton was bound to lattice oxide ion and that its strength of bonding was rather weak. The decrease in conductivity by replacing H + with D + suggested that the conducting ion was not hydroxide but proton and that it migrated via the dissociation of O-H bond. (author). 15 refs., 5 figs

  15. Synthesis, characterization and impedance spectroscopy study of magnetite/epoxidized natural rubber nanocomposites

    Energy Technology Data Exchange (ETDEWEB)

    Tan, W.L. [Nanoscience Research Laboratory, School of Chemical Sciences, Universiti Sains Malaysia, 11800 Penang (Malaysia); Abu Bakar, M., E-mail: bmohamad@usm.my [Nanoscience Research Laboratory, School of Chemical Sciences, Universiti Sains Malaysia, 11800 Penang (Malaysia)

    2013-06-05

    Highlights: ► The Fe{sub 3}O{sub 4}/ENR nanocomposites have not been synthesized and reported. ► Nanocomposites were obtained via in situ synthesis of Fe{sub 3}O{sub 4} in the presence of ENR. ► The use of ENR enabled control of the size of Fe{sub 3}O{sub 4} particles to <20 nm. ► Conductivity of the nanocomposites increases with the increase in Fe{sub 3}O{sub 4} loading. ► The equivalent circuit for the nanocomposites is proposed and discussed. -- Abstract: The magnetite (Fe{sub 3}O{sub 4}) particles were synthesized in situ in the presence of epoxidized natural rubber (ENR) to produce the various Fe{sub 3}O{sub 4}/ENR nanocomposites. The X-ray diffraction (XRD) analysis confirmed the existence of Fe{sub 3}O{sub 4} particles in the composites. The FTIR and DSC studies suggested that no chemical interactions between the particles and the matrix. The SEM and X-mapping micrographs revealed that the Fe{sub 3}O{sub 4} particles were distributed within the ENR matrix. The ENR matrix exerts control on the Fe{sub 3}O{sub 4} particles with a size of <20 nm in the composites. The Fe{sub 3}O{sub 4} particles also affect the electrical properties of the composites. Impedance spectroscopy studies show that the electrical conductivity of the nanocomposites increases with the increase in Fe{sub 3}O{sub 4} loading in the composite. The equivalent circuit for the Fe{sub 3}O{sub 4}/ENR nanocomposites is proposed and discussed.

  16. Characterization of gaseous species in scanning atmospheric rf plasma with transmission infrared spectroscopy

    International Nuclear Information System (INIS)

    Kim, Seong H.; Kim, Jeong Hoon; Kang, Bang-Kwon

    2008-01-01

    A scanning atmospheric radio-frequency (rf) plasma was analyzed with transmission infrared (IR) spectroscopy. The IR analyses were made for the plasmas used for hydrophobic coating deposition and superhydrophobic coating deposition processes. Since the rf plasma was generated in a small open space with a high gas flow rate in ambient air, the density of gas-phase molecules was very high and the plasma-generated reactive species seemed to undergo various reactions in the gas phase. So, the transmission IR spectra of the scanning atmospheric rf plasma were dominated by gas-phase reaction products, rather than plasma-generated intermediate species. In the CH 4 /He plasma used for hydrophobic coating deposition, C 2 H 6 , C 2 H 2 , and a small amount of C 2 H 4 as well as CO were detected in transmission IR. The intensities of these peaks increased as the rf power increased. The CO formation is due to the activation of oxygen and water in the air. In the CF 4 /H 2 /He plasma used for deposition of superhydrophobic coatings, C 2 F 6 , CF 3 H, COF 2 , and HF were mainly detected. When the H 2 /CF 4 ratio was ∼0.5, the consumption of CF 4 was the highest. As the H 2 /CF 4 ratio increased higher, the C 2 F 6 production was suppressed while the CF 3 H peak grew and the formation of CH 4 were detected. In both CH 4 /He and CF 4 /H 2 /He plasma systems, the undissociated feed gas molecules seem to be highly excited vibrationally and rotationally. The information on plasma-generated reactive species and their reactions was deduced from the distribution of these gas-phase reaction products