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Sample records for synchrotron-based ftir spectromicroscopy

  1. Synchrotron-based FTIR spectromicroscopy: Cytotoxicity and heating considerations

    Energy Technology Data Exchange (ETDEWEB)

    Holman, Hoi-Ying N.; Martin, Michael C.; McKinney, Wayne R.

    2002-12-13

    Synchrotron radiation-based Fourier transform infrared (SR-FTIR) spectromicroscopy is a newly emerging bioanalytical and imaging tool. This unique technique provides mid-infrared (IR) spectra, hence chemical information, with high signal-to-noise at spatial resolutions as fine as 3 to 10 microns. Thus it enables researchers to locate, identify, and track specific chemical events within an individual living mammalian cell. Mid-IR photons are too low in energy (0.05 - 0.5 eV) to either break bonds or to cause ionization. In this review, we show that the synchrotron IR beam has no detectable effects on the short- and long-term viability, reproductive integrity, cell-cycle progression, and mitochondrial metabolism in living human cells, and produces only minimal sample heating (< 0.5 degrees C). These studies have established an important foundation for SR-FTIR spectromicroscopy in biological and biomedical research.

  2. Synchrotron-based FTIR spectromicroscopy Cytotoxicity and heating considerations

    CERN Document Server

    Holman, H Y N; McKinney, W R

    2002-01-01

    Synchrotron radiation-based Fourier transform infrared (SR-FTIR) spectromicroscopy is a newly emerging bioanalytical and imaging tool. This unique technique provides mid-infrared (IR) spectra, hence chemical information, with high signal-to-noise at spatial resolutions as fine as 3 to 10 microns. Thus it enables researchers to locate, identify, and track specific chemical events within an individual living mammalian cell. Mid-IR photons are too low in energy (0.05 - 0.5 eV) to either break bonds or to cause ionization. In this review, we show that the synchrotron IR beam has no detectable effects on the short- and long-term viability, reproductive integrity, cell-cycle progression, and mitochondrial metabolism in living human cells, and produces only minimal sample heating (< 0.5 degrees C). These studies have established an important foundation for SR-FTIR spectromicroscopy in biological and biomedical research.

  3. Molecular toxicity of triclosan and carbamazepine to green algae Chlorococcum sp.: A single cell view using synchrotron-based Fourier transform infrared spectromicroscopy.

    Science.gov (United States)

    Xin, Xiaying; Huang, Guohe; Liu, Xia; An, Chunjiang; Yao, Yao; Weger, Harold; Zhang, Peng; Chen, Xiujuan

    2017-07-01

    Although pharmaceuticals and personal care products have been used and introduced into the environment in large quantities, little information on potential ecological risks is currently available considering their effects on living organisms. We verified the feasibility of using synchrotron-based Fourier Transform Infrared (SR-FTIR) spectromicroscopy to explore in vivo toxic effects on single living Chlorococcum sp. cells. The study provided important information to achieve a better understanding of the toxic mechanism of triclosan and carbamazepine on living algae Chlorococcum sp.. Triclosan and carbamazepine had distinctive toxic effects on unicellular living algae. Most strikingly, triclosan had more dramatic toxic effects on biochemical components than carbamazepine. Triclosan can affect algae primarily by inhibiting fatty acid synthesis and causing protein aggregation. The toxicity response was irreversible at higher concentration (100.000 μM), but attenuated at lower concentration (0.391 μM) as time extended. Carbamazepine can produce hydrophobic interactions to affect the phospholipid bilayer and work on specific proteins to disfunction the cell membrane. Carbamazepine-exposed cells developed a resistance while extending exposure time. This is the first demonstration from an ecological standpoint that SR-FTIR can provide an innovative approach to reveal the toxicity of emerging pollutants in aquatic environments. Copyright © 2017 Elsevier Ltd. All rights reserved.

  4. High Spatial Resolution Analysis of Fungal Cell Biochemistry: Bridging the Analytical Gap using Synchrotron FTIR Spectromicroscopy

    International Nuclear Information System (INIS)

    Kaminskyj, S.; Konstantin, J.; Szeghalmi, A.; Gough, K.

    2008-01-01

    Fungi impact humans and the environment in many ways, for good and ill. Some fungi support the growth of terrestrial plants or are used in biotechnology, and yet others are established or emerging pathogens. In some cases, the same organism may play different roles depending on the context or the circumstance. A better understanding of the relationship between fungal biochemical composition as related to the fungal growth environment is essential if we are to support or control their activities. Synchrotron FTIR (sFTIR) spectromicroscopy of fungal hyphae is a major new tool for exploring cell composition at a high spatial resolution. Brilliant synchrotron light is essential for this analysis due to the small size of fungal hyphae. sFTIR biochemical characterization of subcellular variation in hyphal composition will allow detailed exploration of fungal responses to experimental treatments and to environmental factors.

  5. Tracking chemical changes in a live cell: Biomedical applications of SR-FTIR spectromicroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Holman, Hoi-Ying N.; Martin, Michael C.; McKinney, Wayne R.

    2002-07-25

    Synchrotron radiation-based Fourier transform infrared (SR-FTIR) spectromicroscopy is a newly emerging bioanalytical and imaging tool. This unique technique provides mid-infrared (IR) spectra, hence chemical information, with high signal-to-noise at spatial resolutions as fine as 3 to 10 microns. Thus it enables researchers to locate, identify, and track specific chemical events within an individual living mammalian cell. Mid-IR photons are too low in energy (0.05 - 0.5 eV) to either break bonds or to cause ionization. In this review, we show that the synchrotron IR beam has no detectable effects on the short- and long-term viability, reproductive integrity, cell-cycle progression, and mitochondrial metabolism in living human cells, and produces only minimal sample heating (< 0.5 degrees C). We will then present several examples demonstrating the application potentials of SR-FTIR spectromicroscopy in biomedical research. These will include monitoring living cells progressing through the cell cycle, including death, and cells reacting to dilute concentrations of toxins.

  6. Tracking chemical changes in a live cell: Biomedical applications of SR-FTIR spectromicroscopy

    International Nuclear Information System (INIS)

    Holman, Hoi-Ying N.; Martin, Michael C.; McKinney, Wayne R.

    2002-01-01

    Synchrotron radiation-based Fourier transform infrared (SR-FTIR) spectromicroscopy is a newly emerging bioanalytical and imaging tool. This unique technique provides mid-infrared (IR) spectra, hence chemical information, with high signal-to-noise at spatial resolutions as fine as 3 to 10 microns. Thus it enables researchers to locate, identify, and track specific chemical events within an individual living mammalian cell. Mid-IR photons are too low in energy (0.05 - 0.5 eV) to either break bonds or to cause ionization. In this review, we show that the synchrotron IR beam has no detectable effects on the short- and long-term viability, reproductive integrity, cell-cycle progression, and mitochondrial metabolism in living human cells, and produces only minimal sample heating (< 0.5 degrees C). We will then present several examples demonstrating the application potentials of SR-FTIR spectromicroscopy in biomedical research. These will include monitoring living cells progressing through the cell cycle, including death, and cells reacting to dilute concentrations of toxins

  7. Characterization of mannitol in Curvularia protuberata hyphae by FTIR and Raman spectromicroscopy.

    Science.gov (United States)

    Isenor, Merrill; Kaminskyj, Susan G W; Rodriguez, Russell J; Redman, Regina S; Gough, Kathleen M

    2010-12-01

    FTIR and Raman spectromicroscopy were used to characterize the composition of Curvularia protuberata hyphae, and to compare a strain isolated from plants inhabiting geothermal soils with a non-geothermal isolate. Thermal IR source images of hyphae have been acquired with a 64 × 64 element focal plane array detector; single point IR spectra have been obtained with synchrotron source light. In some C. protuberata hyphae, we have discovered the spectral signature of crystalline mannitol, a fungal polyol with complex protective roles. With FTIR-FPA imaging, we have determined that the protein content in cells remains fairly constant throughout the length of a hypha, whereas the mannitol is found at discrete, irregular locations. This is the first direct observation of mannitol in intact fungal hyphae. Since the concentration of mannitol in cells varies with respect to position and is not present in all hyphae, this discovery may be related to habitat adaptation, fungal structure and growth stages.

  8. Understanding the distribution of natural wax in starch-wax films using synchrotron-based FTIR (S-FTIR).

    Science.gov (United States)

    Muscat, Delina; Tobin, Mark J; Guo, Qipeng; Adhikari, Benu

    2014-02-15

    High amylose starch-glycerol (HAG) films were produced incorporating beeswax, candelilla wax and carnauba wax in the presence and absence of Tween-80 in order to determine the distribution of wax in the films during the film formation process. The distribution of these waxes within the film was studied using Synchrotron based Fourier Transform Infrared Spectroscopy (S-FTIR) which provided 2D mapping along the thickness of the film. The incorporation of 5% and 10% wax in HAG films produced randomly distributed wax or wax-rich domains, respectively, within these films. Consequently, the addition of these waxes to HAG increased the surface roughness and hydrophobicity of these films. The addition of Tween-80 caused variations in wax-rich bands within the films. The HAG+carnauba wax+Tween-80 films exhibited domed wax-rich domains displayed with high integrated CH2 absorption value at the interior of the films, rougher surface and higher contact angle values than the other films. The S-FTIR 2D images indicated that the distribution of wax in starch-wax films correlated with the roughness and hydrophobicity of the starch-wax films. Copyright © 2013 Elsevier Ltd. All rights reserved.

  9. Identification of the finishing technique of an early eighteenth century musical instrument using FTIR spectromicroscopy.

    Science.gov (United States)

    Bertrand, Loïc; Robinet, Laurianne; Cohen, Serge X; Sandt, Christophe; Le Hô, Anne-Solenn; Soulier, Balthazar; Lattuati-Derieux, Agnès; Echard, Jean-Philippe

    2011-03-01

    The study of varnishes from musical instruments presents the difficulty of analysing very thin layers of heterogeneous materials on samples most of which are generally brittle and difficult to prepare. Such study is crucial to the understanding of historical musical instrument varnishing practices since written sources before 1800 are very rare and not precise. Fourier-transform infrared (FTIR) spectroscopy and imaging methods were applied to identify the major chemical components within the build-up of the varnish layers on a cello made by one of the most prominent French violin-makers of the eighteenth century (Jacques Boquay, ca. 1680-1730). Two types of FTIR imaging methods were used: scanning with a synchrotron-based microscope and full-field imaging using a 2D imager with a conventional source. An interpretation of the results obtained from these studies on the Boquay cello is that the maker first applied a proteinaceous layer, probably gelatine-based animal glue. He later applied a second layer based on a mixture of a drying oil and diterpenic resin from Pinaceae sp. From an historical perspective, the results complement previous studies by describing a second technique used for musical instrument finishes at the beginning of the eighteenth century in Europe.

  10. A Sensitive Method for Examining Whole Cell Biochemical Composition in Single Cells of Filamentous Fungi using Synchrotron FTIR Spectromicroscopy

    International Nuclear Information System (INIS)

    Konstantin, J.; Gough, K.; Julian, R.; Kaminskyj, S.

    2008-01-01

    Cell function is related to cell composition. The asexual state of filamentous fungi (molds and mildews) has two main life cycle stages: vegetative hyphae for substrate colonization and nutrient acquisition, and asexual spores for survival and dispersal. Hyphal composition changes over a few tens of microns during growth and maturation; spores are different from hyphae. Most biochemical analyses are restricted to studying a few components at high spatial resolution (e.g. histochemistry) or many compounds at low spatial resolution (e.g. GC-MS). Synchrotron FTIR spectromicroscopy can be used to study fungal cell biology by fingerprinting varieties of carbohydrates, proteins, and lipids at about 6 microm spatial resolution. FTIR can distinguish fungal species and changes during hyphal growth, and reveals that even fungi grown under optimal vs mildly stressed conditions exhibit dramatic biochemical changes without obvious morphological effects. Here we compare hypha and spore composition of two fungi, Neurospora and Rhizopus. There are clear biochemical changes when Neurospora hyphae commit to spore development, during spore maturation and following germination, many of which are consistent with results from molecular genetics, but have not been shown before at high spatial resolution. Rhizopus spores develop within a fluid-containing sporangium that becomes dry at maturity. Rhizopus spores had similar protein content and significantly more carbohydrate than the sporangial fluid, both of which are novel findings.

  11. Real-time Bacterial Detection by Single Cell Based Sensors UsingSynchrotron FTIR Spectromicroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Veiseh, Mandana; Veiseh, Omid; Martin, Michael C.; Bertozzi,Carolyn; Zhang, Miqin

    2005-08-10

    Microarrays of single macrophage cell based sensors weredeveloped and demonstrated for real time bacterium detection bysynchrotron FTIR microscopy. The cells were patterned on gold-SiO2substrates via a surface engineering technique by which the goldelectrodes were immobilized with fibronectin to mediate cell adhesion andthe silicon oxide background were passivated with PEG to resist proteinadsorption and cell adhesion. Cellular morphology and IR spectra ofsingle, double, and triple cells on gold electrodes exposed tolipopolysaccharide (LPS) of different concentrations were compared toreveal the detection capabilities of these biosensors. The single-cellbased sensors were found to generate the most significant IR wave numbervariation and thus provide the highest detection sensitivity. Changes inmorphology and IR spectrum for single cells exposed to LPS were found tobe time- and concentration-dependent and correlated with each other verywell. FTIR spectra from single cell arrays of gold electrodes withsurface area of 25 mu-m2, 100 mu-m2, and 400 mu-m2 were acquired usingboth synchrotron and conventional FTIR spectromicroscopes to study thesensitivity of detection. The results indicated that the developedsingle-cell platform can be used with conventional FTIRspectromicroscopy. This technique provides real-time, label-free, andrapid bacterial detection, and may allow for statistic and highthroughput analyses, and portability.

  12. Synchrotron-based FTIR microspectroscopy for the mapping of photo-oxidation and additives in acrylonitrile-butadiene-styrene model samples and historical objects.

    Science.gov (United States)

    Saviello, Daniela; Pouyet, Emeline; Toniolo, Lucia; Cotte, Marine; Nevin, Austin

    2014-09-16

    Synchrotron-based Fourier transform infrared micro-spectroscopy (SR-μFTIR) was used to map photo-oxidative degradation of acrylonitrile-butadiene-styrene (ABS) and to investigate the presence and the migration of additives in historical samples from important Italian design objects. High resolution (3×3 μm(2)) molecular maps were obtained by FTIR microspectroscopy in transmission mode, using a new method for the preparation of polymer thin sections. The depth of photo-oxidation in samples was evaluated and accompanied by the formation of ketones, aldehydes, esters, and unsaturated carbonyl compounds. This study demonstrates selective surface oxidation and a probable passivation of material against further degradation. In polymer fragments from design objects made of ABS from the 1960s, UV-stabilizers were detected and mapped, and microscopic inclusions of proteinaceous material were identified and mapped for the first time. Copyright © 2014 Elsevier B.V. All rights reserved.

  13. Using synchrotron-based FT-IR microspectroscopy to study erucamide migration in 50-micron-thick bilayer linear low-density polyethylene and polyolefin plastomer films.

    Science.gov (United States)

    Sankhe, Shilpa Y; Hirt, Douglas E

    2003-01-01

    The diffusion of additives in thick (approximately 500 microns) single layer and multilayer films has been characterized using FT-IR microspectroscopy. The objective of this research was to investigate additive migration and concentration profiles in coextruded multilayer films of industrially relevant thicknesses. In particular, the investigation focused on the migration of an erucamide slip agent in 50-micron-thick coextruded bilayer films of linear low-density polyethylene (LLDPE) and a polyolefin plastomer (POP). Erucamide concentration profiles were successfully mapped using synchrotron-based FT-IR microspectroscopy. The synchrotron radiation helped to achieve a higher spatial resolution for the thin films. Meticulous sample preparation was needed to map the thin film samples. Results with FT-IR microspectroscopy showed that the additive-concentration profiles were relatively uniform across the multilayer-film thickness irrespective of the intended initial additive distribution. For example, a bilayer planned for 1 wt % erucamide in an LLDPE layer and no erucamide in a POP layer showed significant additive migration into the POP layer at the extrusion rates used. FT-IR microspectroscopy results also showed that more erucamide migrated to the surface of a POP layer than an LLDPE layer. Attenuated total reflectance (ATR) FT-IR spectroscopy was used to confirm the time-dependent increase of erucamide surface concentration and that the increase was more pronounced at the surface of the POP layers.

  14. Synchrotron-Based X Ray and FTIR Micro-Spectroscopy for the Cultural Heritage Science at the ID21 Beamline, ESRF

    International Nuclear Information System (INIS)

    Cotte, M.; Radepont, M.; Pouyet, E.; Salome, M.; Susini, J.

    2016-01-01

    Synchrotron-based techniques are increasingly used for the study of Cultural Heritage (CH) materials. These analyses rely on light-matter interactions and can be carried out directly onto the artworks. They also benefit from the synchrotron assets and in particular from the gain in terms of lateral resolution when comparing with laboratory equipment. Thanks to the synchrotron beam high brightness and low divergence, X rays can be focused down to less than 1μm, making possible the selective analysis of various compounds in complex structures. The ID21 beamline, at the ESRF, is devoted to such high resolution microscopy, using both X ray and infrared beams. Almost all kinds of CH materials can be studied, from hard matter, such as metals, glasses, pigments, to soft matters such as varnishes, tissues, wood, paper, textile, wax… Usually, samples are prepared as transversal cross-sections in order to highlight the internal structure of the matter (corrosion patina on metals, multilayer structures in paintings…). 2D elemental mapping are generated by micro-X ray fluorescence, with low detection limit. Chemical information can be obtained both by X ray absorption spectroscopy (micro-XANES) and by infrared spectroscopy (micro-FTIR). Studies usually aim at understanding degradation mechanisms (corrosion, colour variation, formation of crust), or at identifying artistic processes (choice of pigments and binders for paintings, optical effects in glasses…). The X ray energy range at ID21 is 2-9keV, giving access to all the K-edges from P to Cu. It covers S and Cl, which are frequently implied in degradation processes, and the 3d transition metals, which enter in the composition of many artworks (being in pigments, inks, glasses or metal). The FTIR-microscope provides complementary molecular information, and is used more particularly for the analysis of organic and hybrid components. The two microscopes are independent and can be operated simultaneously. Various hardware

  15. Synchrotron-based multiple-beam FTIR chemical imaging of a multi-layered polymer in transmission and reflection: towards cultural heritage applications

    Science.gov (United States)

    Unger, Miriam; Mattson, Eric; Schmidt Patterson, Catherine; Alavi, Zahrasadet; Carson, David; Hirschmugl, Carol J.

    2013-04-01

    IRENI (infrared environmental imaging) is a recently commissioned Fourier transform infrared (FTIR) chemical imaging beamline at the Synchrotron Radiation Center in Madison, WI, USA. This novel beamline extracts 320 mrad of radiation, horizontally, from one bending magnet. The optical transport separates and recombines the beam into 12 parallel collimated beams to illuminate a commercial FTIR microspectrometer (Bruker Hyperion 3000) equipped with a focal plane array detector where single pixels in the detector image a projected sample area of either 0.54×0.54 μm2 or 2×2 μm2, depending in the measurement geometry. The 12 beams are partially overlapped and defocused, similar to wide-field microscopy, homogeneously illuminating a relatively large sample area compared to single-beam arrangements. Both transmission and reflection geometries are used to examine a model cross section from a layered polymer material. The compromises for sample preparation and measurement strategies are discussed, and the chemical composition and spatial definition of the layers are distinguished in chemical images generated from data sets. Deconvolution methods that may allow more detailed data analysis are also discussed.

  16. Toward optimal spatial and spectral quality in widefield infrared spectromicroscopy of IR labelled single cells.

    Science.gov (United States)

    Mattson, Eric C; Unger, Miriam; Clède, Sylvain; Lambert, François; Policar, Clotilde; Imtiaz, Asher; D'Souza, Roshan; Hirschmugl, Carol J

    2013-10-07

    Advancements in widefield infrared spectromicroscopy have recently been demonstrated following the commissioning of IRENI (InfraRed ENvironmental Imaging), a Fourier Transform infrared (FTIR) chemical imaging beamline at the Synchrotron Radiation Center. The present study demonstrates the effects of magnification, spatial oversampling, spectral pre-processing and deconvolution, focusing on the intracellular detection and distribution of an exogenous metal tris-carbonyl derivative 1 in a single MDA-MB-231 breast cancer cell. We demonstrate here that spatial oversampling for synchrotron-based infrared imaging is critical to obtain accurate diffraction-limited images at all wavelengths simultaneously. Resolution criteria and results from raw and deconvoluted images for two Schwarzschild objectives (36×, NA 0.5 and 74×, NA 0.65) are compared to each other and to prior reports for raster-scanned, confocal microscopes. The resolution of the imaging data can be improved by deconvolving the instrumental broadening that is determined with the measured PSFs, which is implemented with GPU programming architecture for fast hyperspectral processing. High definition, rapidly acquired, FTIR chemical images of respective spectral signatures of the cell 1 and shows that 1 is localized next to the phosphate- and Amide-rich regions, in agreement with previous infrared and luminescence studies. The infrared image contrast, localization and definition are improved after applying proven spectral pre-processing (principal component analysis based noise reduction and RMie scattering correction algorithms) to individual pixel spectra in the hyperspectral cube.

  17. FTIR

    International Nuclear Information System (INIS)

    Gierczak, C.A.; Andino, J.M.; Butler, J.W.; Heiser, G.A.; Jesion, G.; Korniski, T.J.

    1991-01-01

    FTIR spectroscopy has been shown to be a valuable tool in the analysis of complex gas phase mixtures, such as dilute vehicle exhaust. Regulated and non-regulated vehicle emissions have been routinely sampled and analyzed using prototype instrumentation developed in this laboratory, and in several other laboratories over the last decade. More recently, commercial versions of these FTIR analyzers have become available through several manufacturers. This paper reviews the data acquisition and processing techniques utilized by the FTIR analyzer developed in this laboratory. The statistical detection limits for 22 of the components analyzed by the system are presented. In addition, the linearity of the carbon monoxide (CO) analysis is demonstrated over several orders of magnitude. Experiments designed to study the effects of environmental parameters on the accuracy and the sensitivity of the system are also described

  18. Introduction of soft X-ray spectromicroscopy as an advanced technique for plant biopolymers research.

    Directory of Open Access Journals (Sweden)

    Chithra Karunakaran

    Full Text Available Soft X-ray absorption spectroscopy coupled with nano-scale microscopy has been widely used in material science, environmental science, and physical sciences. In this work, the advantages of soft X-ray absorption spectromicroscopy for plant biopolymer research were demonstrated by determining the chemical sensitivity of the technique to identify common plant biopolymers and to map the distributions of biopolymers in plant samples. The chemical sensitivity of soft X-ray spectroscopy to study biopolymers was determined by recording the spectra of common plant biopolymers using soft X-ray and Fourier Transform mid Infrared (FT-IR spectroscopy techniques. The soft X-ray spectra of lignin, cellulose, and polygalacturonic acid have distinct spectral features. However, there were no distinct differences between cellulose and hemicellulose spectra. Mid infrared spectra of all biopolymers were unique and there were differences between the spectra of water soluble and insoluble xylans. The advantage of nano-scale spatial resolution exploited using soft X-ray spectromicroscopy for plant biopolymer research was demonstrated by mapping plant cell wall biopolymers in a lentil stem section and compared with the FT-IR spectromicroscopy data from the same sample. The soft X-ray spectromicroscopy enables mapping of biopolymers at the sub-cellular (~30 nm resolution whereas, the limited spatial resolution in the micron scale range in the FT-IR spectromicroscopy made it difficult to identify the localized distribution of biopolymers. The advantages and limitations of soft X-ray and FT-IR spectromicroscopy techniques for biopolymer research are also discussed.

  19. Nano-Scale Spatial Assessment of Calcium Distribution in Coccolithophores Using Synchrotron-Based Nano-CT and STXM-NEXAFS

    Science.gov (United States)

    Sun, Shiyong; Yao, Yanchen; Zou, Xiang; Fan, Shenglan; Zhou, Qing; Dai, Qunwei; Dong, Faqin; Liu, Mingxue; Nie, Xiaoqin; Tan, Daoyong; Li, Shuai

    2014-01-01

    Calcified coccolithophores generate calcium carbonate scales around their cell surface. In light of predicted climate change and the global carbon cycle, the biomineralization ability of coccoliths has received growing interest. However, the underlying biomineralization mechanism is not yet well understood; the lack of non-invasive characterizing tools to obtain molecular level information involving biogenic processes and biomineral components remain significant challenges. In the present study, synchrotron-based Nano-computed Tomography (Nano-CT) and Scanning Transmission X-ray Microscopy-Near-edge X-ray Absorption Fine Structure Spectromicroscopy (STXM-NEXAFS) techniques were employed to identify Ca spatial distribution and investigate the compositional chemistry and distinctive features of the association between biomacromolecules and mineral components of calcite present in coccoliths. The Nano-CT results show that the coccolith scale vesicle is similar as a continuous single channel. The mature coccoliths were intracellularly distributed and immediately ejected and located at the exterior surface to form a coccoshpere. The NEXAFS spectromicroscopy results of the Ca L edge clearly demonstrate the existence of two levels of gradients spatially, indicating two distinctive forms of Ca in coccoliths: a crystalline-poor layer surrounded by a relatively crystalline-rich layer. The results show that Sr is absorbed by the coccoliths and that Sr/Ca substitution is rather homogeneous within the coccoliths. Our findings indicate that synchrotron-based STXM-NEXAFS and Nano-CT are excellent tools for the study of biominerals and provide information to clarify biomineralization mechanism. PMID:25530614

  20. Synchrotron based spallation neutron source concepts

    International Nuclear Information System (INIS)

    Cho, Y.

    1998-01-01

    During the past 20 years, rapid-cycling synchrotrons (RCS) have been used very productively to generate short-pulse thermal neutron beams for neutron scattering research by materials science communities in Japan (KENS), the UK (ISIS) and the US (IPNS). The most powerful source in existence, ISIS in the UK, delivers a 160-kW proton beam to a neutron-generating target. Several recently proposed facilities require proton beams in the MW range to produce intense short-pulse neutron beams. In some proposals, a linear accelerator provides the beam power and an accumulator ring compresses the pulse length to the required ∼ 1 micros. In others, RCS technology provides the bulk of the beam power and compresses the pulse length. Some synchrotron-based proposals achieve the desired beam power by combining two or more synchrotrons of the same energy, and others propose a combination of lower and higher energy synchrotrons. This paper presents the rationale for using RCS technology, and a discussion of the advantages and disadvantages of synchrotron-based spallation sources

  1. Scanning photoemission spectromicroscopy applications in surface chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Amati, M. [Elettra – Sincrotrone Trieste S.C.p.A. di interesse nazionale, SS14-Km163.5 in Area Science Park, 34149 Trieste (Italy); Dalmiglio, M. [European Commission, Joint Research Centre, Institute for Health and Consumer Protection, Nanobiosciences Unit, Via Enrico Fermi 2749, 21029 Ispra, VA (Italy); Abyaneh, M. Kazemian [Elettra – Sincrotrone Trieste S.C.p.A. di interesse nazionale, SS14-Km163.5 in Area Science Park, 34149 Trieste (Italy); Gregoratti, L., E-mail: luca.gregoratti@elettra.trieste.it [Elettra – Sincrotrone Trieste S.C.p.A. di interesse nazionale, SS14-Km163.5 in Area Science Park, 34149 Trieste (Italy)

    2013-08-15

    Highlights: •An overview of the spectromicroscopy capability of the SPEM is provided. •Reactivity towards oxidation and adsorbate mass transport of MWCNTs is described. •Oxidation of Pt-Rh nanoparticles is site dependent. -- Abstract: Scanning photoelectron microscopy (SPEM) combines X-ray photoelectron spectroscopy (XPS) with spatial resolution and is a powerful technique to image and probe micro and nanostructures. An overview of some recent achievements of the SPEM hosted at the Elettra synchrotron light laboratory will be presented in this report. The examples will spread through the oxidation as well as mass transport of multiwall carbon nanotubes clean and functionalized with metallic coatings, the electronic and chemical characterization of semiconductor sensor prototypes and the oxidation of PtRh nanoparticles produced by pulsed-laser deposition (PLD) with atomic oxygen.

  2. Soft X-ray spectromicroscopy of biological and synthetic polymer systems

    International Nuclear Information System (INIS)

    Hitchcock, A.; Morin, C.; Araki, T.; Zhang, X.; Dynes, J.; Stover, H.; Brash, J.

    2004-01-01

    Full text: Scanning transmission X-ray microscopy (STXM) and X-ray photoemission electron microscopy (X-PEEM) are synchrotron based, soft X-ray spectromicroscopy techniques which provide chemical speciation at 50 nm spatial resolution based on near edge X-ray absorption spectral (NEXAFS) contrast. The instrumentation and techniques of soft X-ray spectro- microscopy will be described and illustrated with applications to wet biofilms, protein interactions with patterned polymer surfaces, and polymer microstructure optimization. STXM can be applied to samples in air, He, vacuum, or a fully hydrated environment. With many collaborators, my group is using STXM to study fundamental and applied aspects of polymer microstructure, to map metal ions and anti-microbial agents in wet biofilms, and to identify sites of selective adsorption of proteins on phase separated polymer thin films in the presence of an overlayer of protein solution. X-PEEM has greater surface sensitivity than STXM but requires a flat, conductive, and vacuum-compatible sample. Comparison of X-PEEM and STXM for the same system - fibrinogen adsorption on a PS:PMMA blend, will be used to illustrate advantages and limitations of each technique. Measurements at 5.3.2 STXM and 7.3.1 PEEM at the Advanced Light Source, funded by DoE under contract DE-AC03- 76SF00098. Research supported by NSERC (Canada), AFMnet (Advanced Food and Biomaterials Network) and the Canada Research Chair program

  3. Spectromicroscopy of Fe distributions in clay microcrystals

    Energy Technology Data Exchange (ETDEWEB)

    Grundl, T. [Univ. of Wisconsin, Milwaukee, WI (United States); Cerasari, S.; Garcia, A. [Lawrence Berkeley National Lab., CA (United States)] [and others

    1997-04-01

    Clays are ubiquitous crystalline particles found in nature that are responsible for contributing to a wide range of chemical reactions in soils. The structure of these mineral particles changes when the particle is hydrated ({open_quotes}wet{close_quotes}), from that when it is dry. This makes a study of the microscopic distribution of chemical content of these nanocrystals difficult using standard techniques that require vacuum. In addition to large structural changes, it is likely that chemical changes accompany the drying process. As a result, spectroscopic measurements on dried clay particles may not accurately reflect the actual composition of the material as found in the environment. In this work, the authors extend the use of the ALS Spectromicroscopy Facility STXM to high spectral and spatial resolution studies of transition metal L-edges in environmental materials. The authors are studying mineral particles of montmorillonite, which is an Fe bearing clay which can be prepared with a wide distribution of Fe concentrations, and with Fe occupying different substitutional sites.

  4. Recent applications and current trends in Cultural Heritage Science using synchrotron-based Fourier transform infrared micro-spectroscopy

    Science.gov (United States)

    Cotte, Marine; Dumas, Paul; Taniguchi, Yoko; Checroun, Emilie; Walter, Philippe; Susini, Jean

    2009-09-01

    Synchrotron-based Fourier transform infrared micro-spectroscopy (SR-FTIR) is one of the emerging techniques increasingly employed for Cultural Heritage analytical science. Such a technique combines the assets of FTIR spectroscopy (namely, the identification of molecular groups in various environments: organic/inorganic, crystallized/amorphous, solid/liquid/gas), with the extra potential of chemical imaging (localization of components + easier data treatment thanks to geographical correlations) and the properties of the synchrotron source (namely, high brightness, offering high data quality even with reduced dwell time and reduced spot size). This technique can be applied to nearly all kind of materials found in museum objects, going from hard materials, like metals, to soft materials, like paper, and passing through hybrid materials such as paintings and bones. The purpose is usually the identification of complex compositions in tiny, heterogeneous samples. Recent applications are reviewed in this article, together with the fundamental aspects of the infrared synchrotron source which are leading to such improvements in analytical capabilities. A recent example from the ancient Buddhist paintings from Bamiyan is detailed. Emphasis is made on the true potential offered at such large scale facilities in combining SR-FTIR microscopy with other synchrotron-based micro-imaging techniques. To cite this article: M. Cotte et al., C. R. Physique 10 (2009).

  5. Soft X-ray spectromicroscopy and application to semiconductor microstructure characterization

    International Nuclear Information System (INIS)

    Gozzo, F.; Franck, K.; Howells, M.R.; Hussain, Z.; Warwick, A.; Padmore, H.A.; Triplett, B.B.

    1997-01-01

    The universal trend towards device miniaturization has driven the semiconductor industry to develop sophisticated and complex instrumentation for the characterization of microstructures. Many significant problems of relevance to the semiconductor industry cannot be solved by conventional analysis techniques, but can be addressed with soft x-ray spectromicroscopy. An active spectromicroscopy program is being developed at thr Advanced Light Source, attracting both the semiconductor industry and the materials science academic community. Examples of spectromicroscopy techniques are presented. An Advanced Light Source μ-XPS spectromicroscopy project is discussed, involving the first microscope completely dedicated and designed for microstructure analysis on patterned silicon wafers. (author)

  6. Soft X-ray spectromicroscopy and its application to semiconductor microstructure characterization

    International Nuclear Information System (INIS)

    Gozzo, F.; Franck, K.; Howells, M.R.; Hussain, Z.

    1996-01-01

    The universal trend towards device miniaturization has driven the semiconductor industry to develop sophisticated and complex instrumentation for the characterization of microstructures. Many significant problems of relevance to the semiconductor industry cannot be solved with conventional analysis techniques, but can be addressed with soft x-ray spectromicroscopy. An active spectromicroscopy program is being developed at the Advanced Light Source, attracting both the semiconductor industry and the materials science academic community. Examples of spectromicroscopy techniques are presented. An ALS(mu)-XPS spectromicroscopy project is discussed, involving the first microscope completely dedicated and designed for microstructure analysis on patterned silicon wafers

  7. The first synchrotron infrared beamlines at the Advanced Light Source: Spectromicroscopy and fast timing

    International Nuclear Information System (INIS)

    Martin, Michael C.; McKinney, Wayne R.

    1999-01-01

    Two recently commissioned infrared beamlines on the 1.4 bending magnet port at the Advanced Light Source, LBNL, are described. Using a synchrotron as an IR source provides three primary advantages: increased brightness, very fast light pulses, and enhanced far-IR flux. The considerable brightness advantage manifests itself most beneficially when performing spectroscopy on a microscopic length scale. Beamline (BL) 1.4.3 is a dedicated FTIR spectromicroscopy beamline, where a diffraction-limited spot size using the synchrotron source is utilized. BL 1.4.2 consists of a vacuum FTIR bench with a wide spectral range and step-scan capability. This BL makes use of the pulsed nature of the synchrotron light as well as the far-IR flux. Fast timing is demonstrated by observing the pulses from the electron bunch storage pattern at the ALS. Results from several experiments from both IR beamlines will be presented as an overview of the IR research currently being done at the ALS

  8. Exploring the interactions and binding sites between Cd and functional groups in soil using two-dimensional correlation spectroscopy and synchrotron radiation based spectromicroscopies

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Fusheng [Jiangsu Provincial Key Lab for Organic Solid Waste Utilization and National Engineering Research Center for Organic-Based Fertilizers, College of Resources & Environmental Sciences, Nanjing Agricultural University, Nanjing 210095 (China); Department of Soil Science, North Carolina State University, Raleigh, NC 27695 (United States); Polizzotto, Matthew L. [Department of Soil Science, North Carolina State University, Raleigh, NC 27695 (United States); Guan, Dongxing [Key Laboratory of Surficial Geochemistry, Ministry of Education, School of Earth Sciences and Engineering, Nanjing University, Nanjing 210026 (China); Wu, Jun [College of Environment, Zhejiang University of Technology, Hangzhou 310014 (China); Shen, Qirong; Ran, Wei [Jiangsu Provincial Key Lab for Organic Solid Waste Utilization and National Engineering Research Center for Organic-Based Fertilizers, College of Resources & Environmental Sciences, Nanjing Agricultural University, Nanjing 210095 (China); Wang, Boren [Institute of Agricultural Resources and Regional Planning, Chinese Academy of Agricultural Sciences, Beijing 100081 (China); Yu, Guanghui, E-mail: yuguanghui@njau.edu.cn [Jiangsu Provincial Key Lab for Organic Solid Waste Utilization and National Engineering Research Center for Organic-Based Fertilizers, College of Resources & Environmental Sciences, Nanjing Agricultural University, Nanjing 210095 (China)

    2017-03-15

    Highlights: • The interactions and binding between Cd and functional groups are essential for their fates. • Two-dimensional correlation spectroscopy can identify Cd binding to functional groups in soils. • Synchrotron radiation based spectromicroscopy shows the micro-scale distribution of Cd in soils. • Soil functional groups controlling Cd binding can be modified by fertilization treatments. - Abstract: Understanding how heavy metals bind and interact in soils is essential for predicting their distributions, reactions and fates in the environment. Here we propose a novel strategy, i.e., combining two-dimensional correlation spectroscopy (2D COS) and synchrotron radiation based spectromicroscopies, for identifying heavy metal binding to functional groups in soils. The results showed that although long-term (23 yrs) organic fertilization treatment caused the accumulation of Cd (over 3 times) in soils when compared to no fertilization and chemical fertilization treatments, it significantly (p < 0.05) reduced the Cd concentration in wheat grain. The 2D COS analyses demonstrated that soil functional groups controlling Cd binding were modified by fertilization treatments, providing implications for the reduced bioavailability of heavy metals in organic fertilized soils. Furthermore, correlative micro X-ray fluorescence spectromicroscopy, electron probe micro-analyzer mapping, and synchrotron-radiation-based FTIR spectromicroscopy analysis showed that Cd, minerals, and organic functional groups were heterogeneously distributed at the micro-scale in soil colloids. Only minerals, rather than organic groups, had a similar distribution pattern with Cd. Together, this strategy has a potential to explore the interactions and binding sites among heavy metals, minerals and organic components in soil.

  9. Low-dose responses to 2,3,7,8-tetrachlorodibenzo-p-dioxin in single living human cells measured by synhrotron infrared spectromicroscopy

    International Nuclear Information System (INIS)

    Holman, Hoi-Ying N.; Goth-Goldstein, R.; Martin, M.C.; Russel, M.L.; McKinney, W.R.

    1999-01-01

    We report synchrotron radiation-based (SR) Fourier-transform infrared (FTIR) spectromicroscopy measurements of HepG2 cells exposed to an environmental contaminant that is a known ligand for the aryl hydrocarbon receptor (AhR). Measurements were made on cells treated with an AhR-binding model compound 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD). Compared to untreated control cells, treated cells display unique spectral changes with TCDD concentrations of 0.01 to 10.0 nanomolar (nM). Key spectral changes involve P=O, C-O and C-H stretching bands. The first changes are related to the environment of the phosphate backbone of nucleic acids. The C-H stretching bands data show a relative increase in the number of methyl to methylene groups. We find an excellent correlation between spectral changes and an increase in CYP1A1 expression measured by the reverse transcriptase polymerase chain reaction (RT-PCR) technique demonstrating that the SR-FTIR method is observing cellular biochemical changes related to this gene expression pathway. Finally, we discuss the potential use of SR-FTIR spectromicroscopy as a diagnostic tool for monitoring cellular exposure and early molecular responses to environmental pollutants

  10. Organic and inorganic correlations for Northwest Africa 852 by synchrotron-based Fourier transform infrared microspectroscopy

    Science.gov (United States)

    Yesiltas, Mehmet; Peale, Robert E.; Unger, Miriam; Sedlmair, Julia; Hirschmugl, Carol J.

    2015-10-01

    Relationships between organic molecules and inorganic minerals are investigated in a single 34 μm diameter grain of the CR2 chondrite Northwest Africa 852 (NWA) 852 with submicron spatial resolution using synchrotron-based imaging micro-FTIR spectroscopy. Correlations based on absorption strength for the various constituents are determined using statistical correlation analysis. The silicate band is found to be correlated with the hydration band, and the latter is highly correlated with stretching modes of aliphatic hydrocarbons. Spatial distribution maps show that water+organic combination, silicate, OH, and C-H distributions overlap, suggesting a possible catalytic role of phyllosilicates in the formation of organics. In contrast, the carbonate band is anticorrelated with water+organic combination, however uncorrelated with any other spectral feature. The average ratio of asymmetric CH2 and CH3 band strengths (CH2/CH3 = 2.53) for NWA 852 is similar to the average ratio of interplanetary dust particles (~2.40) and Wild 2 cometary dust particles (2.50), but it significantly exceeds that of interstellar medium objects (~1.00) and several aqueously altered carbonaceous chondrites (~1.40). This suggests organics of similar length/branching, and perhaps similar formation regions, for NWA 852, Wild 2 dust particles, and interplanetary dust particles. The heterogeneous spatial distribution of ratio values indicates the presence of a mixture of aliphatic organic material with different length/branching, and thus a wide range of parent body processes, which occurred before the considered grain was formed.

  11. Applications of synchrotron-based micro-imaging techniques for the analysis of Cultural Heritage materials

    International Nuclear Information System (INIS)

    Cotte, Marine; Chilida, Javier; Walter, Philippe; Taniguchi, Yoko; Susini, Jean

    2009-01-01

    The analysis of cultural Heritage objects is often technically challenging. When analyzing micro-fragments, the amount of matter is usually very tiny, hence requiring sensitive techniques. These samples, in particular painting fragments, may present multi-layered structures, with layer thickness of ∼10 μm. It leads to favor micro-imaging techniques, with a good lateral resolution (about one micrometer), that manage the discriminative study of each layer. Besides, samples are usually very complex in term of chemistry, as they are made of mineral and organic matters, amorphous and crystallized phases, major and minor elements. Accordingly, a multi-modal approach is generally essential to solve the chemical complexity of such hybrid materials. Different examples will be given, to illustrate the various possibilities of synchrotron-based micro-imaging techniques, such as micro X-ray diffraction, micro X-ray fluorescence, micro X-ray absorption spectroscopy and micro FTIR spectroscopy. Focus will be made on paintings, but the whole range of museum objects (going from soft matter like paper or wood to hard matter like metal and glass) will be also considered.

  12. Synchrotron infrared spectromicroscopy as a novel bioanalytical microprobe for individual living cells: Cytotoxicity considerations

    Energy Technology Data Exchange (ETDEWEB)

    Holman, Hoi-Ying N.; Bjornstad, Kathleen A.; McNamara, Morgan P.; Martin, Michael C.; McKinney, Wayne R.; Blakely, Eleanor A.

    2001-12-12

    Synchrotron radiation-based Fourier transform infrared (SR-FTIR) spectromicroscopy is a newly emerging analytical tool capable of monitoring the biochemistry within an individual living mammalian cell in real time. This unique technique provides infrared (IR)spectra, hence chemical information, with high signal-to-noise at spatial resolutions as fine as 3 to 10 microns. Mid-IR photons are too low in energy (0.05-0.5 eV) to either break bonds or to cause ionization, and the synchrotron IR beam has been shown to produce minimal sample heating. However, an important question remains, ''Does the intense synchrotron beam induce any cytotoxic effects in living cells?'' In this work, we present the results from a series of standard biological assays to evaluate any short-and/or long-term effects on cells exposed to the synchrotron radiation-based infrared (SR-IR) beam. Cell viability was tested using alcian blue dye-exclusion and colony formation assays. Cell-cycle progression was tested with bromodeoxyuridine (BrdU) uptake during DNA synthesis. Cell metabolism was tested using an 3-[4,5-Dimethylthiazol-2-yl]-2,5-diphenyltetrazolium bromide assay. All control, 5-, 10-, and 20-minute SR-IR exposure tests (267 total and over 1000 controls) show no evidence of cytotoxic effects. Concurrent infrared spectra obtained with each experiment confirm no detectable chemistry changes between control and exposed cells.

  13. Synchrotron radiation-based Fourier-transform infrared spectromicroscopy for characterization of the protein/peptide distribution in single microspheres

    Directory of Open Access Journals (Sweden)

    Manli Wang

    2015-05-01

    Full Text Available The present study establishes a visualization method for the measurement of the distribution and localization of protein/peptide constituents within a single poly-lactide-co-glycolide (PLGA microsphere using synchrotron radiation–based Fourier-transform infrared spectromicroscopy (SR-FTIR. The representative infrared wavenumbers specific for protein/peptide (Exenatide and excipient (PLGA were identified and chemical maps at the single microsphere level were generated by measuring and plotting the intensity of these specific bands. For quantitative analysis of the distribution within microspheres, Matlab software was used to transform the map file into a 3D matrix and the matrix values specific for the drug and excipient were extracted. Comparison of the normalized SR-FTIR maps of PLGA and Exenatide indicated that PLGA was uniformly distributed, while Exenatide was relatively non-uniformly distributed in the microspheres. In conclusion, SR-FTIR is a rapid, nondestructive and sensitive detection technology to provide the distribution of chemical constituents and functional groups in microparticles and microspheres.

  14. Considerations for a soft x-ray spectromicroscopy beamline

    International Nuclear Information System (INIS)

    Winn, B.; Hao, X.; Jacobsen, C.

    1996-01-01

    The X-1A soft x-ray undulator at the NSLS is the source for the experimental programs in spectromicroscopy. The authors require both spatial and temporal coherence. Due to the relatively large horizontal divergence of the electron beam in the low β straight section of the x-ray storage ring, it has been possible to split the beam using a scraping mirror into two branches: X-1A used by the authors' program and X-1B used for high resolution spectroscopy. They are now rebuilding the X-1A beamline to provide improved resolving power and essentially linear trade-off between photon rate at the zone plate and resolving power for the soft x-ray spectromicroscopy experiments. This new beamline will exploit both additional floorspace due to the NSLS building expansion and increases in the brightness of the x-ray ring. The beam will be further split into two separate beamlines, both of which will use toroidal mirrors to focus the source on the monochromator entrance slits horizontally and to focus on the monochromator exit slits vertically. This separation comes at no loss of coherent flux and permits low thermal loading on the optics, since the authors need little more than the coherent fraction of the beam at the Fresnel zone plate for microfocusing. Because of the small angular acceptance for spatially coherent illumination of the zone plates and the use of an approximately satisfied Rowland condition, the monochromators have sufficient resolving power with fixed exit arms. Experiments can then be placed near the exit slits, with spatial coherence established by the exit slit size. Resolving power will be controlled by adjusting the entrance slit alone with no change of spatial coherence. The zone plates will be overfilled to be less sensitive to beam vibration and drift

  15. Analysis of peripheral thermal damage after laser irradiation of dentin using polarized light microscopy and synchrotron radiation infrared spectromicroscopy

    Science.gov (United States)

    Dela Rosa, Alfredo; Sarma, Anupama V.; Le, Charles Q.; Jones, Robert S.; Fried, Daniel

    2004-05-01

    It is necessary to minimize peripheral thermal damage during laser irradiation, since thermal damage to collagen and mineral compromises the bond strength to restorative materials in dentin and inhibits healing and osteointegration in bone. The overall objective of this study was to test the hypothesis that lasers resonant to the specific absorption of water, collagen, and hydroxyapatite with pulse durations less than the thermal relaxation times at each respective laser wavelength will efficiently remove dentin with minimal peripheral thermal damage. Precise incisions were produced in 3 x 3 mm2 blocks of human dentin using CO2 (9.6 μm), Er:YSGG (2.79 μm), and Nd:YAG (355 nm) lasers with and without a computer controlled water spray. Polarization-sensitive optical coherence tomography was used to obtain optical cross-sections of each incision to determine the rate and efficiency of ablation. The peripheral thermal damage zone around each incision was analyzed using polarized light microscopy (PLM) and Synchrotron-Radiation Fourier Transform Infrared Spectro-microscopy (SR-FTIR). Thermally induced chemical changes to both mineral and the collagen matrix was observed with SR-FTIR with a 10-μm spatial resolution and those changes were correlated with optical changes observed with PLM. Minimal (alveolar bone.

  16. X-ray microscopy and spectromicroscopy - tools for environmental studies

    International Nuclear Information System (INIS)

    Thieme, J.

    2002-01-01

    Full text: X-ray microscopy achieves a much higher resolution than light microscopy. This is due to the much shorter wavelength of X-rays compared to visible light. The smallest structures that can be seen in an X-ray microscope at present are about 20 nm in size. X-ray microscopy is also capable of imaging specimens directly in aqueous media. By choosing the wavelength of the X-radiation appropriately, it is possible to perform spectromicroscopy studies. Comprising, it is a tool very well suited to study colloidal structures in the environment. X-ray microscopy can be performed with two types of instruments. An X-ray microscope quickly takes high-resolution images of objects to be studied, whereas a scanning X-ray microscope is an analytical instrument for spectromicroscopy. Here, an object can be imaged using energies above and below the absorption edge of an element. Dividing both images gives rise to a map of the distribution of this element in the sample. Using near-edge resonances it is possible to conduct NEXAFS studies. As the X-ray energy is raised to match the absorption edge resonances are found, that reflect the chemical bonding state of the element. Therefore, it is possible with X-ray microscopy to combine high spatial resolution with high spectral resolution for studies of colloidal structures. The Institute of X-ray physics builds up an X-ray microscopy beamline at the electron storage ring BESSY II with both, an X-ray microscope and a scanning X-ray microscope. The status of this beamline will be presented in this talk. Colloidal structures play an important role in the environment. Due to their surface activity they are involved in various processes. Substances can be bound and immobilized or transported, colloids can attach to microorganisms building up microhabitats, and organic substances as humics can flocculate due the interaction with metals. A great variety of colloidal structures from the environment have been studied using X

  17. Infrared (IR) photon-sensitive spectromicroscopy in a cryogenic environment

    Science.gov (United States)

    Pereverzev, Sergey

    2016-06-14

    A system designed to suppress thermal radiation background and to allow IR single-photon sensitive spectromicroscopy of small samples by using both absorption, reflection, and emission/luminescence measurements. The system in one embodiment includes: a light source; a plurality of cold mirrors configured to direct light along a beam path; a cold or warm sample holder in the beam path; windows of sample holder (or whole sample holder) are transparent in a spectral region of interest, so they do not emit thermal radiation in the same spectral region of interest; a cold monochromator or other cold spectral device configured to direct a selected fraction of light onto a cold detector; a system of cold apertures and shields positioned along the beam path to prevent unwanted thermal radiation from arriving at the cold monochromator and/or the detector; a plurality of optical, IR and microwave filters positioned along the beam path and configured to adjust a spectral composition of light incident upon the sample under investigation and/or on the detector; a refrigerator configured to maintain the detector at a temperature below 1.0K; and an enclosure configured to: thermally insulate the light source, the plurality of mirrors, the sample holder, the cold monochromator and the refrigerator.

  18. Infrared spectromicroscopy and magneto-optical imaging stations at SPring-8

    CERN Document Server

    Kimura, S; Sada, T; Okuno, M; Matsunami, M; Shinoda, K; Kimura, H; Moriwaki, T; Yamagata, M; Kondo, Y; Yoshimatsu, Y; Takahashi, T; Fukui, K; Kawamoto, T; Ishikawa, T

    2001-01-01

    At the BL43IR of SPring-8, infrared microanalysis on various kinds of solid specimens under multiple environments with a spatial resolution smaller than 10 mu m in diameter is planned in the infrared region. In order to perform such analysis, two different stations, a multipurpose spectromicroscopy apparatus and a magneto-optical imaging one have been constructed. Measurements on the spatial two-dimensional cross-section of the infrared beam at the spectromicroscopy station have proven that the stations have a good prospective feature in the performance.

  19. Techniques for Handling and Removal of Spectral Channels in Fourier Transform Synchrotron-Based Spectra

    International Nuclear Information System (INIS)

    Ibrahim, Amr; Predoi-Cross, Adriana; Teillet, Philippe M.

    2010-01-01

    Channel spectra are a big problem for those attempting to use synchrotron-based Fourier transform spectra for spectral lineshape studies. Due to the layout of the optical system at the CLS far-infrared beamline, the synchrotron beam undergoes unavoidable multiple reflections on the steering mirrors, beam splitter, several sets of windows, and filters. We present a method for eliminating channel spectra and compare the results of our technique with other methods available in the literature.

  20. Synchrotron-based intravenous cerebral angiography in a small animal model

    International Nuclear Information System (INIS)

    Kelly, Michael E; Schueltke, Elisabeth; Fiedler, Stephan; Nemoz, Christian; Guzman, Raphael; Corde, Stephanie; Esteve, Francois; LeDuc, Geraldine; Juurlink, Bernhard H J; Meguro, Kotoo

    2007-01-01

    K-edge digital subtraction angiography (KEDSA), a recently developed synchrotron-based technique, utilizes monochromatic radiation and allows acquisition of high-quality angiography images after intravenous administration of contrast agent. We tested KEDSA for its suitability for intravenous cerebral angiography in an animal model. Adult male New Zealand rabbits were subjected to either angiography with conventional x-ray equipment or synchrotron-based intravenous KEDSA, using an iodine-based contrast agent. Angiography with conventional x-ray equipment after intra-arterial administration of contrast agent demonstrated the major intracranial vessels but no smaller branches. KEDSA was able to visualize the major intracranial vessels as well as smaller branches in both radiography mode (planar images) and tomography mode. Visualization was achieved with as little as 0.5 ml kg -1 of iodinated contrast material. We were able to obtain excellent visualization of the cerebral vasculature in an animal model using intravenous injection of contrast material, using synchrotron-based KEDSA

  1. Synchrotron-based X-ray microscopic studies for bioeffects of nanomaterials.

    Science.gov (United States)

    Zhu, Ying; Cai, Xiaoqing; Li, Jiang; Zhong, Zengtao; Huang, Qing; Fan, Chunhai

    2014-04-01

    There have been increasing interests in studying biological effects of nanomaterials, which are nevertheless faced up with many challenges due to the nanoscale dimensions and unique chemical properties of nanomaterials. Synchrotron-based X-ray microscopy, an advanced imaging technology with high spatial resolution and excellent elemental specificity, provides a new platform for studying interactions between nanomaterials and living systems. In this article, we review the recent progress of X-ray microscopic studies on bioeffects of nanomaterials in several living systems including cells, model organisms, animals and plants. We aim to provide an overview of the state of the art, and the advantages of using synchrotron-based X-ray microscopy for characterizing in vitro and in vivo behaviors and biodistribution of nanomaterials. We also expect that the use of a combination of new synchrotron techniques should offer unprecedented opportunities for better understanding complex interactions at the nano-biological interface and accounting for unique bioeffects of nanomaterials. Synchrotron-based X-ray microscopy is a non-destructive imaging technique that enables high resolution spatial mapping of metals with elemental level detection methods. This review summarizes the current use and perspectives of this novel technique in studying the biology and tissue interactions of nanomaterials. Copyright © 2014 Elsevier Inc. All rights reserved.

  2. Cluster analysis in soft X-ray spectromicroscopy: Finding the patterns in complex specimens

    Energy Technology Data Exchange (ETDEWEB)

    Lerotic, M. [Department of Physics and Astronomy, State University of New York at Stony Brook, Stony Brook, NY 11794-3800 (United States)]. E-mail: lerotic@xray1.physics.sunysb.edu; Jacobsen, C. [Department of Physics and Astronomy, State University of New York at Stony Brook, Stony Brook, NY 11794-3800 (United States); Gillow, J.B. [Environmental Sciences Department, Brookhaven National Laboratory, Upton, NY 11973 (United States); Francis, A.J. [Environmental Sciences Department, Brookhaven National Laboratory, Upton, NY 11973 (United States); Wirick, S. [Department of Physics and Astronomy, State University of New York at Stony Brook, Stony Brook, NY 11794-3800 (United States); Vogt, S. [Advanced Photon Source, Argonne National Laboratory, Argonne, IL 60439 (United States); Maser, J. [Advanced Photon Source, Argonne National Laboratory, Argonne, IL 60439 (United States)

    2005-06-15

    Soft X-ray spectromicroscopy provides spectral data on the chemical speciation of light elements at sub-100 nanometer spatial resolution. If all chemical species in a specimen are known and separately characterized, existing approaches can be used to measure the concentration of each component at each pixel. In other situations such as in biology or environmental science, this approach may not be possible. We have previously described [M. Lerotic, C. Jacobsen, T. Schaefer, S. Vogt, Ultramicroscopy 100 (1-2) (2004) 35] the use of principle component analysis (PCA) to orthogonalize and noise-filter spectromicroscopy data, and cluster analysis (Canada) to classify the analyzed data and obtain thickness maps of representative spectra. We describe here an extension of that work employing an angle distance measure; this measure provides better classification based on spectral signatures alone in specimens with significant thickness variations. The method is illustrated using simulated data, and also to examine sporulation in the bacterium Clostridium sp.

  3. Review structure of silk by raman spectromicroscopy: from the spinning glands to the fibers.

    Science.gov (United States)

    Lefèvre, Thierry; Paquet-Mercier, François; Rioux-Dubé, Jean-François; Pézolet, Michel

    2012-06-01

    Raman spectroscopy has long been proved to be a useful tool to study the conformation of protein-based materials such as silk. Thanks to recent developments, linearly polarized Raman spectromicroscopy has appeared very efficient to characterize the molecular structure of native single silk fibers and spinning dopes because it can provide information relative to the protein secondary structure, molecular orientation, and amino acid composition. This review will describe recent advances in the study of the structure of silk by Raman spectromicroscopy. A particular emphasis is put on the spider dragline and silkworm cocoon threads, other fibers spun by orb-weaving spiders, the spinning dope contained in their silk glands and the effect of mechanical deformation. Taken together, the results of the literature show that Raman spectromicroscopy is particularly efficient to investigate all aspects of silk structure and production. The data provided can lead to a better understanding of the structure of the silk dope, transformations occurring during the spinning process, and structure and mechanical properties of native fibers. Copyright © 2011 Wiley Periodicals, Inc.

  4. Efficiency of respiratory-gated delivery of synchrotron-based pulsed proton irradiation

    International Nuclear Information System (INIS)

    Tsunashima, Yoshikazu; Vedam, Sastry; Dong, Lei; Bues, Martin; Balter, Peter; Smith, Alfred; Mohan, Radhe; Umezawa, Masumi; Sakae, Takeji

    2008-01-01

    Significant differences exist in respiratory-gated proton beam delivery with a synchrotron-based accelerator system when compared to photon therapy with a conventional linear accelerator. Delivery of protons with a synchrotron accelerator is governed by a magnet excitation cycle pattern. Optimal synchronization of the magnet excitation cycle pattern with the respiratory motion pattern is critical to the efficiency of respiratory-gated proton delivery. There has been little systematic analysis to optimize the accelerator's operational parameters to improve gated treatment efficiency. The goal of this study was to estimate the overall efficiency of respiratory-gated synchrotron-based proton irradiation through realistic simulation. Using 62 respiratory motion traces from 38 patients, we simulated respiratory gating for duty cycles of 30%, 20% and 10% around peak exhalation for various fixed and variable magnet excitation patterns. In each case, the time required to deliver 100 monitor units in both non-gated and gated irradiation scenarios was determined. Based on results from this study, the minimum time required to deliver 100 MU was 1.1 min for non-gated irradiation. For respiratory-gated delivery at a 30% duty cycle around peak exhalation, corresponding average delivery times were typically three times longer with a fixed magnet excitation cycle pattern. However, when a variable excitation cycle was allowed in synchrony with the patient's respiratory cycle, the treatment time only doubled. Thus, respiratory-gated delivery of synchrotron-based pulsed proton irradiation is feasible and more efficient when a variable magnet excitation cycle pattern is used

  5. Recent progress in synchrotron-based frequency-domain Fourier-transform THz-EPR.

    Science.gov (United States)

    Nehrkorn, Joscha; Holldack, Karsten; Bittl, Robert; Schnegg, Alexander

    2017-07-01

    We describe frequency-domain Fourier-transform THz-EPR as a method to assign spin-coupling parameters of high-spin (S>1/2) systems with very large zero-field splittings. The instrumental foundations of synchrotron-based FD-FT THz-EPR are presented, alongside with a discussion of frequency-domain EPR simulation routines. The capabilities of this approach is demonstrated for selected mono- and multinuclear HS systems. Finally, we discuss remaining challenges and give an outlook on the future prospects of the technique. Copyright © 2017 Elsevier Inc. All rights reserved.

  6. X-ray Spectromicroscopy Studies of Nanoparticles in the Environment

    Science.gov (United States)

    Sedlmair, J.; Gleber, S.-C.; Schirz, A.; Zanker, H.; Thieme, J.

    2009-04-01

    Motivation: In recent time, carbon nanotubes (CNTs) have drawn a lot of attention due to their unique properties and due to that possible application, for instance in pharmacology, material sciences or as semiconductors. CNTs are tubes with diameters in the nanometer scale, but with lengths up to several millimeters. Their walls consist of carbon atoms, each bound to three other carbon atoms (sp2-hybridization), which results in a hexagonal honeycomb-like structure. They can also be functionalized, e.g. with carboxyl- or hydroxyl groups. Although the production and modification of CNTs in sizable quantities have been improved continuously, the characterization of these nano-particles still needs to be advanced. Additionally, the ecological aspect comes into account. Since most of these new materials consist of particles too small to be biodegraded, it is important to analyze the impact of CNTs on the environment (and biomolecular matter in general). Here we present the result of a study of pristine and functionalized carbon nanotubes (CNTs) using the x-ray scanning transmission microscope (STXM) at the storage ring BESSY II in Berlin for a NEXAFS (near edge x-ray absorption spectroscopy) analysis with spatial resolution. Experiment and results: We characterized three types of multi-walled CNTs (3-15 walls, outer diameter of 13-16 nm and length distribution 1-10 nm) by x-ray spectromicroscopy. To be more specific, we have investigated different CNT-samples with energies around the C1s K-shell edge (~284 eV) dry and in aqueous environment at ambient conditions. Using the STXM, the spatial information from the x-ray image with a pixel size of 50 nm can be combined with NEXAFS-spectra[5] of each pixel of the image area. The differences between the species are observable both in the microscopic images and the spectral data. The evaluation[1][2] of the NEXAFS-spectra yields information about the chemical bindings in the sample. Discussion The difference between the

  7. Modeling Protein Structures in Feed and Seed Tissues Using Novel Synchrotron-Based Analytical Technique

    International Nuclear Information System (INIS)

    Yu, P.

    2008-01-01

    Traditional 'wet' chemical analyses usually looks for a specific known component (such as protein) through homogenization and separation of the components of interest from the complex tissue matrix. Traditional 'wet' chemical analyses rely heavily on the use of harsh chemicals and derivatization, therefore altering the native feed protein structures and possibly generating artifacts. The objective of this study was to introduce a novel and non-destructive method to estimate protein structures in feed and seeds within intact tissues using advanced synchrotron-based infrared microspectroscopy (SFTIRM). The experiments were performed at the National Synchrotron Light Source in Brookhaven National Laboratory (US Dept. of Energy, NY). The results show that with synchrotron-based SFTIRM, we are able to localize relatively 'pure' protein without destructions of the feed and seed tissues and qualify protein internal structures in terms of the proportions and ratios of a-helix, β-sheet, random coil and β-turns on a relative basis using multi-peak modeling procedures. These protein structure profile (a-helix, β-sheet, etc.) may influence protein quality and availability in animals. Several examples of feed and seeds were provided. The implications of this study are that we can use this new method to compare internal protein structures between feeds and between seed verities. We can also use this method to detect heat-induced the structural changes of protein in feeds.

  8. Recent advances in synchrotron-based hard x-ray phase contrast imaging

    Science.gov (United States)

    Liu, Y.; Nelson, J.; Holzner, C.; Andrews, J. C.; Pianetta, P.

    2013-12-01

    Ever since the first demonstration of phase contrast imaging (PCI) in the 1930s by Frits Zernike, people have realized the significant advantage of phase contrast over conventional absorption-based imaging in terms of sensitivity to ‘transparent’ features within specimens. Thus, x-ray phase contrast imaging (XPCI) holds great potential in studies of soft biological tissues, typically containing low Z elements such as C, H, O and N. Particularly when synchrotron hard x-rays are employed, the favourable brightness, energy tunability, monochromatic characteristics and penetration depth have dramatically enhanced the quality and variety of XPCI methods, which permit detection of the phase shift associated with 3D geometry of relatively large samples in a non-destructive manner. In this paper, we review recent advances in several synchrotron-based hard x-ray XPCI methods. Challenges and key factors in methodological development are discussed, and biological and medical applications are presented.

  9. Extending synchrotron-based atomic physics experiments into the hard X-ray region

    International Nuclear Information System (INIS)

    LeBrun, T.

    1996-01-01

    The high-brightness, hard x-ray beams available from third-generation synchrotron sources are opening new opportunities to study the deepest inner shells of atoms, an area where little work has been done and phenomena not observed in less tightly bound inner-shells are manifested. In addition scattering processes which are weak at lower energies become important, providing another tool to investigate atomic structure as well as an opportunity to study photon/atom interactions beyond photoabsorption. In this contribution the authors discuss some of the issues related to extending synchrotron-based atomic physics experiments into the hard x-ray region from the physical and the experimental point of view. They close with a discussion of a technique, resonant Raman scattering, that may prove invaluable in determining the spectra of the very highly-excited states resulting from the excitation of deep inner shells

  10. Recent advances in synchrotron-based hard x-ray phase contrast imaging

    International Nuclear Information System (INIS)

    Liu, Y; Nelson, J; Andrews, J C; Pianetta, P; Holzner, C

    2013-01-01

    Ever since the first demonstration of phase contrast imaging (PCI) in the 1930s by Frits Zernike, people have realized the significant advantage of phase contrast over conventional absorption-based imaging in terms of sensitivity to ‘transparent’ features within specimens. Thus, x-ray phase contrast imaging (XPCI) holds great potential in studies of soft biological tissues, typically containing low Z elements such as C, H, O and N. Particularly when synchrotron hard x-rays are employed, the favourable brightness, energy tunability, monochromatic characteristics and penetration depth have dramatically enhanced the quality and variety of XPCI methods, which permit detection of the phase shift associated with 3D geometry of relatively large samples in a non-destructive manner. In this paper, we review recent advances in several synchrotron-based hard x-ray XPCI methods. Challenges and key factors in methodological development are discussed, and biological and medical applications are presented. (paper)

  11. Nickel speciation in several serpentine (ultramafic) topsoils via bulk synchrotron-based techniques

    Energy Technology Data Exchange (ETDEWEB)

    Siebecker, Matthew G.; Chaney, Rufus L.; Sparks, Donald L.

    2017-07-01

    Serpentine soils have elevated concentrations of trace metals including nickel, cobalt, and chromium compared to non-serpentine soils. Identifying the nickel bearing minerals allows for prediction of potential mobility of nickel. Synchrotron-based techniques can identify the solid-phase chemical forms of nickel with minimal sample treatment. Element concentrations are known to vary among soil particle sizes in serpentine soils. Sonication is a useful method to physically disperse sand, silt and clay particles in soils. Synchrotron-based techniques and sonication were employed to identify nickel species in discrete particle size fractions in several serpentine (ultramafic) topsoils to better understand solid-phase nickel geochemistry. Nickel commonly resided in primary serpentine parent material such as layered-phyllosilicate and chain-inosilicate minerals and was associated with iron oxides. In the clay fractions, nickel was associated with iron oxides and primary serpentine minerals, such as lizardite. Linear combination fitting (LCF) was used to characterize nickel species. Total metal concentration did not correlate with nickel speciation and is not an indicator of the major nickel species in the soil. Differences in soil texture were related to different nickel speciation for several particle size fractionated samples. A discussion on LCF illustrates the importance of choosing standards based not only on statistical methods such as Target Transformation but also on sample mineralogy and particle size. Results from the F-test (Hamilton test), which is an underutilized tool in the literature for LCF in soils, highlight its usefulness to determine the appropriate number of standards to for LCF. EXAFS shell fitting illustrates that destructive interference commonly found for light and heavy elements in layered double hydroxides and in phyllosilicates also can occur in inosilicate minerals, causing similar structural features and leading to false positive results in

  12. MANTiS: a program for the analysis of X-ray spectromicroscopy data.

    Science.gov (United States)

    Lerotic, Mirna; Mak, Rachel; Wirick, Sue; Meirer, Florian; Jacobsen, Chris

    2014-09-01

    Spectromicroscopy combines spectral data with microscopy, where typical datasets consist of a stack of images taken across a range of energies over a microscopic region of the sample. Manual analysis of these complex datasets can be time-consuming, and can miss the important traits in the data. With this in mind we have developed MANTiS, an open-source tool developed in Python for spectromicroscopy data analysis. The backbone of the package involves principal component analysis and cluster analysis, classifying pixels according to spectral similarity. Our goal is to provide a data analysis tool which is comprehensive, yet intuitive and easy to use. MANTiS is designed to lead the user through the analysis using story boards that describe each step in detail so that both experienced users and beginners are able to analyze their own data independently. These capabilities are illustrated through analysis of hard X-ray imaging of iron in Roman ceramics, and soft X-ray imaging of a malaria-infected red blood cell.

  13. Cluster analysis in soft X-ray spectromicroscopy: finding the patterns in complex specimens

    International Nuclear Information System (INIS)

    Lerotic, M.; Jacobsen, C.

    2004-01-01

    Full text: Soft x-ray spectromicroscopy provides spectral data on the chemical speciation of light elements at sub-100 nanometer spatial resolution. When all chemical species in a specimen are known and separately characterized, existing approaches can be used to measure the concentration of each component at each pixel. In other situations such as in biology or environmental science, this approach may not be possible. A method to find natural groupings of data without prior knowledge of the spectra of all components will be presented. Principal component analysis is used to orthogonalize spectromicroscopy data, and discard much of the noise present in data set. Then cluster analysis is used to find a hierarchical classification of pixels with similar spectra, to extract representative, cluster-averaged spectra with good signal-to-noise ratio, and to obtain gradations of concentration of these representative spectra at each pixel. The method is illustrated with a simulated data set of organic compounds, and a mixture of lutetium in hematite used to understand colloidal transport properties of radionuclides. We gratefully acknowledge funding from the National Institutes for Health under contract R01 EB00479-01A1, and from the National Science Foundation under contracts OCE-0221029 and CHE-0221934

  14. Structure and acidity of individual Fluid Catalytic Cracking catalyst particles studied by synchrotron-based infrared micro-spectroscopy

    NARCIS (Netherlands)

    Buurmans, I.L.C.; Soulimani, F.; Ruiz Martinez, J.; van der Bij, H.E.; Weckhuysen, B.M.

    2013-01-01

    A synchrotron-based infrared micro-spectroscopy study has been conducted to investigate the structure as well as the Brønsted and Lewis acidity of Fluid Catalytic Cracking (FCC) catalyst particles at the individual particle level. Both fresh and laboratory-deactivated catalyst particles have been

  15. Synchrotron-based XRD from rat bone of different age groups

    Energy Technology Data Exchange (ETDEWEB)

    Rao, D.V., E-mail: dvrao_9@yahoo.com [Science Based Applications to Engineering (SBAI), Physics Division, University of Rome “La Sapienza”, Via Scarpa 10, 00161 Roma (Italy); Gigante, G.E. [Science Based Applications to Engineering (SBAI), Physics Division, University of Rome “La Sapienza”, Via Scarpa 10, 00161 Roma (Italy); Cesareo, R.; Brunetti, A. [Istituto di Matematica e Fisica, Università di Sassari, Via Vienna 2, 07100 Sassari (Italy); Schiavon, N. [Hercules Laboratory, University of Evora (Portugal); Akatsuka, T.; Yuasa, T. [Department of Bio-System Engineering, Faculty of Engineering, Yamagata University, Yonezawa-shi, Yamagata 992-8510 (Japan); Takeda, T. [Allied Health Science, Kitasato University, 1-15-1 Kitasato, Sagamihara, Kanagawa 228-8555 (Japan)

    2017-05-01

    Synchrotron-based XRD spectra from rat bone of different age groups (w, 56 w and 78w), lumber vertebra at early stages of bone formation, Calcium hydroxyapatite (HAp) [Ca{sub 10}(PO{sub 4}){sub 6}(OH){sub 2}] bone fill with varying composition (60% and 70%) and bone cream (35–48%), has been acquired with 15 keV synchrotron X-rays. Experiments were performed at Desy, Hamburg, Germany, utilizing the Resonant and Diffraction beamline (P9), with 15 keV X-rays (λ = 0.82666 A{sup 0}). Diffraction data were quantitatively analyzed using the Rietveld refinement approach, which allowed us to characterize the structure of these samples in their early stages. Hydroxyapatite, received considerable attention in medical and materials sciences, since these materials are the hard tissues, such as bone and teeth. Higher bioactivity of these samples gained reasonable interest for biological application and for bone tissue repair in oral surgery and orthopedics. The results obtained from these samples, such as phase data, crystalline size of the phases, as well as the degree of crystallinity, confirm the apatite family crystallizing in a hexagonal system, space group P6{sub 3}/m with the lattice parameters of a = 9.4328 Å and c = 6.8842 Å (JCPDS card #09-0432). Synchrotron-based XRD patterns are relatively sharp and well resolved and can be attributed to the hexagonal crystal form of hydroxyapatite. All the samples were examined with scanning electron microscope at an accelerating voltage of 15 kV. The presence of large globules of different sizes is observed, in small age groups of the rat bone (8w) and lumber vertebra (LV), as distinguished from, large age groups (56 and 78w) in all samples with different magnification, reflects an amorphous phase without significant traces of crystalline phases. Scanning electron microscopy (SEM) was used to characterize the morphology and crystalline properties of Hap, for all the samples, from 2 to 100 μm resolution. - Highlights: • For

  16. Synchrotron-based XRD from rat bone of different age groups.

    Science.gov (United States)

    Rao, D V; Gigante, G E; Cesareo, R; Brunetti, A; Schiavon, N; Akatsuka, T; Yuasa, T; Takeda, T

    2017-05-01

    Synchrotron-based XRD spectra from rat bone of different age groups (w, 56 w and 78w), lumber vertebra at early stages of bone formation, Calcium hydroxyapatite (HAp) [Ca 10 (PO 4 ) 6 (OH) 2 ] bone fill with varying composition (60% and 70%) and bone cream (35-48%), has been acquired with 15keV synchrotron X-rays. Experiments were performed at Desy, Hamburg, Germany, utilizing the Resonant and Diffraction beamline (P9), with 15keV X-rays (λ=0.82666 A 0 ). Diffraction data were quantitatively analyzed using the Rietveld refinement approach, which allowed us to characterize the structure of these samples in their early stages. Hydroxyapatite, received considerable attention in medical and materials sciences, since these materials are the hard tissues, such as bone and teeth. Higher bioactivity of these samples gained reasonable interest for biological application and for bone tissue repair in oral surgery and orthopedics. The results obtained from these samples, such as phase data, crystalline size of the phases, as well as the degree of crystallinity, confirm the apatite family crystallizing in a hexagonal system, space group P6 3 /m with the lattice parameters of a=9.4328Å and c=6.8842Å (JCPDS card #09-0432). Synchrotron-based XRD patterns are relatively sharp and well resolved and can be attributed to the hexagonal crystal form of hydroxyapatite. All the samples were examined with scanning electron microscope at an accelerating voltage of 15kV. The presence of large globules of different sizes is observed, in small age groups of the rat bone (8w) and lumber vertebra (LV), as distinguished from, large age groups (56 and 78w) in all samples with different magnification, reflects an amorphous phase without significant traces of crystalline phases. Scanning electron microscopy (SEM) was used to characterize the morphology and crystalline properties of Hap, for all the samples, from 2 to 100μm resolution. Copyright © 2017 Elsevier B.V. All rights reserved.

  17. Synchrotron-based photoemission study of electronic structure of the Cs/GaN ultrathin interface

    Science.gov (United States)

    Benemanskaya, G. V.; Kukushkin, S. A.; Dementev, P. A.; Lapushkin, M. N.; Timoshnev, S. N.; Smirnov, D. V.

    2018-03-01

    Electronic structure of the Cs/n-GaN nano-interface has been studied in situ via synchrotron-based photoelectron spectroscopy by excitation in the energy range of 70-400 eV. The GaN sample was grown by an original method of epitaxy of low-defect unstressed nanoscaled films on AlGaN/SiC/Si substrate. Changes in the surface state spectra and in the Ga 3d, Cs 4d, Cs 5p, N 1s core level spectra have been revealed under different cesium coverages. The intrinsic surface states for the clean GaN surface at binding energies of ∼5.0 eV and ∼7.0 eV are attenuated during Cs adsorption. Simultaneously three Cs induced surface states are found to arise. Drastic changes in the surface state spectrum were ascertained and shown to be originated from the local interacting Ga dangling bonds and adsorbed Cs atoms initiating the electron redistribution effect with formation of the semiconductor-like Cs/n-GaN interface.

  18. High-speed nuclear quality pulse height analyzer for synchrotron-based applications

    International Nuclear Information System (INIS)

    Beche, Jean-Francois; Bucher, Jerome J.; Fabris, Lorenzo; Riot, Vincent J.

    2001-01-01

    A high throughput Pulse Height Analyzer system for synchrotron-based applications requiring high resolution, high processing speed and low dead time has been developed. The system is comprised of a 120ns 12-bit nuclear quality Analog to Digital converter with a self-adaptive fast peak detector-stretcher and a custom-made fast histogramming memory module that records and processes the digitized data. The histogramming module is packaged in a VME or VXI compatible interface. Data is transferred through a fast optical link from the memory interface to a computer. A dedicated data acquisition program matches the hardware characteristics of the histogramming memory module. The data acquisition system allows for two data collection modes: ''standard'' data acquisition mode where the data is accumulated and read in synchronization with an external trigger and ''live'' data acquisition mode where the system operates as a standard Pulse Height Analyzer. The acquisition, standard or live, can be performed on several channels simultaneously. A two-channel prototype has been demonstrated at the Stanford Synchrotron Radiation Laboratory accelerator in conjunction with an X-ray Fluorescence Absorption Spectroscopy experiment. A detailed description of the entire system is given and experimental data is shown

  19. Deciphering complex, functional structures with synchrotron-based absorption and phase contrast tomographic microscopy

    Science.gov (United States)

    Stampanoni, M.; Reichold, J.; Weber, B.; Haberthür, D.; Schittny, J.; Eller, J.; Büchi, F. N.; Marone, F.

    2010-09-01

    Nowadays, thanks to the high brilliance available at modern, third generation synchrotron facilities and recent developments in detector technology, it is possible to record volumetric information at the micrometer scale within few minutes. High signal-to-noise ratio, quantitative information on very complex structures like the brain micro vessel architecture, lung airways or fuel cells can be obtained thanks to the combination of dedicated sample preparation protocols, in-situ acquisition schemes and cutting-edge imaging analysis instruments. In this work we report on recent experiments carried out at the TOMCAT beamline of the Swiss Light Source [1] where synchrotron-based tomographic microscopy has been successfully used to obtain fundamental information on preliminary models for cerebral fluid flow [2], to provide an accurate mesh for 3D finite-element simulation of the alveolar structure of the pulmonary acinus [3] and to investigate the complex functional mechanism of fuel cells [4]. Further, we introduce preliminary results on the combination of absorption and phase contrast microscopy for the visualization of high-Z nanoparticles in soft tissues, a fundamental information when designing modern drug delivery systems [5]. As an outlook we briefly discuss the new possibilities offered by high sensitivity, high resolution grating interferomtery as well as Zernike Phase contrast nanotomography [6].

  20. Use of synchrotron-based diffraction-enhanced imaging for visualization of soft tissues in invertebrates

    International Nuclear Information System (INIS)

    Rao, Donepudi V.; Swapna, Medasani; Cesareo, Roberto; Brunetti, Antonio; Zhong, Zhong; Akatsuka, Takao; Yuasa, Tetsuya; Takeda, Tohoru; Gigante, Giovanni E.

    2010-01-01

    Images of terrestrial and marine invertebrates (snails and bivalves) have been obtained by using an X-ray phase-contrast imaging technique, namely, synchrotron-based diffraction-enhanced imaging. Synchrotron X-rays of 20, 30 and 40 keV were used, which penetrate deep enough into animal soft tissues. The phase of X-ray photons shifts slightly as they traverse an object, such as animal soft tissue, and interact with its atoms. Biological features, such as shell morphology and animal physiology, have been visualized. The contrast of the images obtained at 40 keV is the best. This optimum energy provided a clear view of the internal structural organization of the soft tissue with better contrast. The contrast is higher at edges of internal soft-tissue structures. The image improvements achieved with the diffraction-enhanced imaging technique are due to extinction, i.e., elimination of ultra-small-angle scattering. They enabled us to identify a few embedded internal shell features, such as the origin of the apex, which is the firmly attached region of the soft tissue connecting the umbilicus to the external morphology. Diffraction-enhanced imaging can provide high-quality images of soft tissues valuable for biology.

  1. Use of synchrotron-based diffraction-enhanced imaging for visualization of soft tissues in invertebrates

    Energy Technology Data Exchange (ETDEWEB)

    Rao, Donepudi V., E-mail: donepudi_venkateswararao@rediffmail.co [Istituto di Matematica e Fisica, Universita degli Studi di Sassari, Via Vienna 2, 07100 Sassari (Italy); Swapna, Medasani, E-mail: medasanisw@gmail.co [Istituto di Matematica e Fisica, Universita degli Studi di Sassari, Via Vienna 2, 07100 Sassari (Italy); Cesareo, Roberto; Brunetti, Antonio [Istituto di Matematica e Fisica, Universita degli Studi di Sassari, Via Vienna 2, 07100 Sassari (Italy); Zhong, Zhong [National Synchrotron Light Source, Brookhaven National Laboratory, Upton, NY 11973 (United States); Akatsuka, Takao; Yuasa, Tetsuya [Department of Bio-System Engineering, Faculty of Engineering, Yamagata University, Yonezawa-shi, Yamagata-992-8510 (Japan); Takeda, Tohoru [Allied Health Science, Kitasato University 1-15-1 Kitasato, Sagamihara, Kanagawa 228-8555 (Japan); Gigante, Giovanni E. [Dipartimento di Fisica, Universita di Roma, La Sapienza, 00185 Roma (Italy)

    2010-09-15

    Images of terrestrial and marine invertebrates (snails and bivalves) have been obtained by using an X-ray phase-contrast imaging technique, namely, synchrotron-based diffraction-enhanced imaging. Synchrotron X-rays of 20, 30 and 40 keV were used, which penetrate deep enough into animal soft tissues. The phase of X-ray photons shifts slightly as they traverse an object, such as animal soft tissue, and interact with its atoms. Biological features, such as shell morphology and animal physiology, have been visualized. The contrast of the images obtained at 40 keV is the best. This optimum energy provided a clear view of the internal structural organization of the soft tissue with better contrast. The contrast is higher at edges of internal soft-tissue structures. The image improvements achieved with the diffraction-enhanced imaging technique are due to extinction, i.e., elimination of ultra-small-angle scattering. They enabled us to identify a few embedded internal shell features, such as the origin of the apex, which is the firmly attached region of the soft tissue connecting the umbilicus to the external morphology. Diffraction-enhanced imaging can provide high-quality images of soft tissues valuable for biology.

  2. Synchrotron-based measurements of the electronic structure of the organic semiconductor copper phthalocyanine

    International Nuclear Information System (INIS)

    Downes, J.E.

    2004-01-01

    Full text: Copper phthalocyanine (CuPc) is a prototypical molecular organic semiconductor that is currently used in the construction of many organic electronic devices such as organic light emitting diodes (OLEDs). Although the material is currently being used, and despite many experimental and theoretical studies, it's detailed electronic structure is still not completely understood. This is likely due to two key factors. Firstly, the interaction of the Cu 3d and phthalocyanine ligand 2p electrons leads to the formation of a complex arrangement of localized and delocalized states near the Fermi level. Secondly, thin films of the material are subject to damage by the photon beam used to make measurements of their electronic structure. Using the synchrotron-based techniques of soft x-ray emission spectroscopy (XES) and x-ray photoemission spectroscopy (XPS), we have measured the detailed electronic structure of in-situ grown thin film samples of CuPc. Beam damage was minimized by continuous translation of the sample during data acquisition. The results obtained differ significantly from previous XES and ultraviolet photoemission measurements, but are in excellent agreement with recent density functional calculations. The reasons for these discrepancies will be explained, and their implications for future measurements on similar materials will be explored

  3. High resolution X-ray detector for synchrotron-based microtomography

    CERN Document Server

    Stampanoni, M; Wyss, P; Abela, R; Patterson, B; Hunt, S; Vermeulen, D; Rueegsegger, P

    2002-01-01

    Synchrotron-based microtomographic devices are powerful, non-destructive, high-resolution research tools. Highly brilliant and coherent X-rays extend the traditional absorption imaging techniques and enable edge-enhanced and phase-sensitive measurements. At the Materials Science Beamline MS of the Swiss Light Source (SLS), the X-ray microtomographic device is now operative. A high performance detector based on a scintillating screen optically coupled to a CCD camera has been developed and tested. Different configurations are available, covering a field of view ranging from 715x715 mu m sup 2 to 7.15x7.15 mm sup 2 with magnifications from 4x to 40x. With the highest magnification 480 lp/mm had been achieved at 10% modulation transfer function which corresponds to a spatial resolution of 1.04 mu m. A low-noise fast-readout CCD camera transfers 2048x2048 pixels within 100-250 ms at a dynamic range of 12-14 bit to the file server. A user-friendly graphical interface gives access to the main parameters needed for ...

  4. Development of an in situ temperature stage for synchrotron X-ray spectromicroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Chakraborty, R., E-mail: rupak@alum.mit.edu, E-mail: buonassisi@mit.edu; Serdy, J.; Culpepper, M. L.; Buonassisi, T., E-mail: rupak@alum.mit.edu, E-mail: buonassisi@mit.edu [Department of Mechanical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); West, B.; Stuckelberger, M.; Bertoni, M. I. [School of Electrical, Computer and Energy Engineering, Arizona State University, Tempe, Arizona 85287 (United States); Lai, B.; Maser, J. [Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois 60439 (United States)

    2015-11-15

    In situ characterization of micro- and nanoscale defects in polycrystalline thin-film materials is required to elucidate the physics governing defect formation and evolution during photovoltaic device fabrication and operation. X-ray fluorescence spectromicroscopy is particularly well-suited to study defects in compound semiconductors, as it has a large information depth appropriate to study thick and complex materials, is sensitive to trace amounts of atomic species, and provides quantitative elemental information, non-destructively. Current in situ methods using this technique typically require extensive sample preparation. In this work, we design and build an in situ temperature stage to study defect kinetics in thin-film solar cells under actual processing conditions, requiring minimal sample preparation. Careful selection of construction materials also enables controlled non-oxidizing atmospheres inside the sample chamber such as H{sub 2}Se and H{sub 2}S. Temperature ramp rates of up to 300 °C/min are achieved, with a maximum sample temperature of 600 °C. As a case study, we use the stage for synchrotron X-ray fluorescence spectromicroscopy of CuIn{sub x}Ga{sub 1−x}Se{sub 2} (CIGS) thin-films and demonstrate predictable sample thermal drift for temperatures 25–400 °C, allowing features on the order of the resolution of the measurement technique (125 nm) to be tracked while heating. The stage enables previously unattainable in situ studies of nanoscale defect kinetics under industrially relevant processing conditions, allowing a deeper understanding of the relationship between material processing parameters, materials properties, and device performance.

  5. Synchrotron-based nu-XRF mapping and mu-FTIR microscopy enable to look into the fate and effects of tattoo pigments in human skin

    OpenAIRE

    Schreiver , Ines; Hesse , Bernhard; Seim , Christian; Castillo-Michel , Hiram; Villanova , Julie; Laux , Peter; Dreiack , Nadine; Penning , Randolf; Tucoulou , Remi; Cotte , Marine; Luch , Andreas

    2017-01-01

    International audience; The increasing prevalence of tattoos provoked safety concerns with respect to particle distribution and effects inside the human body. We used skin and lymphatic tissues from human corpses to address local biokinetics by means of synchrotron X-ray fluorescence (XRF) techniques at both the micro (mu) and nano (nu) scale. Additional advanced mass spectrometry-based methodology enabled to demonstrate simultaneous transport of organic pigments, heavy metals and titanium di...

  6. Synchrotron-based micro and nanotomographic investigations of soil aggregate microbial and pore structure

    Science.gov (United States)

    Kemner, K. M.; O'Brien, S.; Whiteside, M. D.; Sholto-Douglas, D.; Antipova, O.; Bailey, V.; Boyanov, M.; Dohnalkova, A.; Gursoy, D.; Kovarik, L.; Lai, B.; Roehrig, C.; Vogt, S.

    2017-12-01

    Soil is a highly complex network of pore spaces, minerals, and organic matter (e.g., roots, fungi, and bacteria), making it physically heterogeneous over nano- to macro-scales. Such complexity arises from feedbacks between physical processes and biological activity that generate a dynamic, self-organizing 3D complex. Since we first demonstrated the utility of synchrotron-based transmission tomography to image internal soil aggregate structure [Kemner et al., 1998], we and many other researchers have made use of and have advanced the application of this technique. However, our understanding of how microbes and microbial metabolism are distributed throughout soil aggregates is limited, because no technique is available to image the soil pore network and the life that inhabits it. X-ray transmission microtomography can provide highly detailed 3D renderings of soil structure but cannot distinguish cells from other electron-light material such as air or water. However, the use of CdSe quantum dots (QDs) as a reporter of bacterial presence enables us to overcome this constraint, instilling bacterial cells with enough contrast to detect them and their metabolic functions in their opaque soil habitat, with hard x-rays capable of penetrating 3D soil structures at high resolution. Previous transmission tomographic imaging of soil aggregates with high energy synchrotron x-rays has demonstrated 700 nm3 voxel spatial resolution. These and recent results from nanotomographic x-ray transmission imaging of soil aggregates with 30 nm3 voxel resolution will be presented. In addition, results of submicron voxel-sized x-ray fluorescence 3D imaging to determine microbial distributions within soil aggregates and the critical role to be played by the upgrade of the Advanced Photon Source for 100-1000X increases in hard x-ray brilliance will also be presented. *Kemner, et al., SPIE 3449, 45-53, 1998

  7. Synchrotron-based transmission x-ray microscopy for improved extraction in shale during hydraulic fracturing

    Science.gov (United States)

    Kiss, Andrew M.; Jew, Adam D.; Joe-Wong, Claresta; Maher, Kate M.; Liu, Yijin; Brown, Gordon E.; Bargar, John

    2015-09-01

    Engineering topics which span a range of length and time scales present a unique challenge to researchers. Hydraulic fracturing (fracking) of oil shales is one of these challenges and provides an opportunity to use multiple research tools to thoroughly investigate a topic. Currently, the extraction efficiency from the shale is low but can be improved by carefully studying the processes at the micro- and nano-scale. Fracking fluid induces chemical changes in the shale which can have significant effects on the microstructure morphology, permeability, and chemical composition. These phenomena occur at different length and time scales which require different instrumentation to properly study. Using synchrotron-based techniques such as fluorescence tomography provide high sensitivity elemental mapping and an in situ micro-tomography system records morphological changes with time. In addition, the transmission X-ray microscope (TXM) at the Stanford Synchrotron Radiation Lightsource (SSRL) beamline 6-2 is utilized to collect a nano-scale three-dimensional representation of the sample morphology with elemental and chemical sensitivity. We present the study of a simplified model system, in which pyrite and quartz particles are mixed and exposed to oxidizing solution, to establish the basic understanding of the more complex geology-relevant oxidation reaction. The spatial distribution of the production of the oxidation reaction, ferrihydrite, is retrieved via full-field XANES tomography showing the reaction pathway. Further correlation between the high resolution TXM data and the high sensitivity micro-probe data provides insight into potential morphology changes which can decrease permeability and limit hydrocarbon recovery.

  8. Tracking calcification in tissue-engineered bone using synchrotron micro-FTIR and SEM.

    Science.gov (United States)

    Deegan, Anthony J; Cinque, Gianfelice; Wehbe, Katia; Konduru, Sandeep; Yang, Ying

    2015-02-01

    One novel tissue engineering approach to mimic in vivo bone formation is the use of aggregate or micromass cultures. Various qualitative and quantitative techniques, such as histochemical staining, protein assay kits and RT-PCR, have been used previously on cellular aggregate studies to investigate how these intricate arrangements lead to mature bone tissue. However, these techniques struggle to reveal spatial and temporal distribution of proliferation and mineralization simultaneously. Synchrotron-based Fourier transform infrared microspectroscopy (micro-FTIR) offers a unique insight at the molecular scale by coupling high IR sensitivity to organic matter with the high spatial resolution allowed by diffraction limited SR microbeam. This study is set to investigate the effects of culture duration and aggregate size on the dynamics and spatial distribution of calcification in engineered bone aggregates by a combination of micro-FTIR and scanning electron microscopy (SEM)/energy-dispersive X-ray spectroscopy (EDX). A murine bone cell line has been used, and small/large bone aggregates have been induced using different chemically treated culture substrates. Our findings suggest that bone cell aggregate culturing can greatly increase levels of mineralization over short culture periods. The size of the aggregates influences mineralisation rates with larger aggregates mineralizing at a faster rate than their smaller counterparts. The micro-FTIR mapping has demonstrated that mineralization in the larger aggregates initiated from the periphery and spread to the centre, whilst the smaller aggregates have more minerals in the centre at the early stage and deposited more in the periphery after further culturing, implying that aggregate size influences calcification distribution and development over time. SEM/EDX data correlates well with the micro-FTIR results for the total mineral content. Thus, synchrotron-based micro-FTIR can accurately track mineralization process

  9. Non-destructive evaluation of teeth restored with different composite resins using synchrotron based micro-imaging.

    Science.gov (United States)

    Fatima, A; Kulkarni, V K; Banda, N R; Agrawal, A K; Singh, B; Sarkar, P S; Tripathi, S; Shripathi, T; Kashyap, Y; Sinha, A

    2016-01-01

    Application of high resolution synchrotron micro-imaging in microdefects studies of restored dental samples. The purpose of this study was to identify and compare the defects in restorations done by two different resin systems on teeth samples using synchrotron based micro-imaging techniques namely Phase Contrast Imaging (PCI) and micro-computed tomography (MCT). With this aim acquired image quality was also compared with routinely used RVG (Radiovisiograph). Crowns of human teeth samples were fractured mechanically involving only enamel and dentin, without exposure of pulp chamber and were divided into two groups depending on the restorative composite materials used. Group A samples were restored using a submicron Hybrid composite material and Group B samples were restored using a Nano-Hybrid restorative composite material. Synchrotron based PCI and MCT was performed with the aim of visualization of tooth structure, composite resin and their interface. The quantitative and qualitative comparison of phase contrast and absorption contrast images along with MCT on the restored teeth samples shows comparatively large number of voids in Group A samples. Quality assessment of dental restorations using synchrotron based micro-imaging suggests Nano-Hybrid resin restorations (Group B) are better than Group A.

  10. In situ analyses of Ag speciation in tissues of cucumber and wheat using synchrotron-based X-ray absorption spectroscopy

    Data.gov (United States)

    U.S. Environmental Protection Agency — In situ analyses of Ag speciation in tissues of cucumber and wheat using synchrotron-based X-ray absorption spectroscopy showing spectral fitting and linear...

  11. In Situ Soft X-ray Spectromicroscopy of Early Tricalcium Silicate Hydration

    Directory of Open Access Journals (Sweden)

    Sungchul Bae

    2016-12-01

    Full Text Available The understanding and control of early hydration of tricalcium silicate (C3S is of great importance to cement science and concrete technology. However, traditional characterization methods are incapable of providing morphological and spectroscopic information about in situ hydration at the nanoscale. Using soft X-ray spectromicroscopy, we report the changes in morphology and molecular structure of C3S at an early stage of hydration. In situ C3S hydration in a wet cell, beginning with induction (~1 h and acceleration (~4 h periods of up to ~8 h, was studied and compared with ex situ measurements in the deceleration period after 15 h of curing. Analysis of the near-edge X-ray absorption fine structure showed that the Ca binding energy and energy splitting of C3S changed rapidly in the early age of hydration and exhibited values similar to calcium silicate hydrate (C–S–H. The formation of C–S–H nanoseeds in the C3S solution and the development of a fibrillar C–S–H morphology on the C3S surface were visualized. Following this, silicate polymerization accompanied by C–S–H precipitation produced chemical shifts in the peaks of the main Si K edge and in multiple scattering. However, the silicate polymerization process did not significantly affect the Ca binding energy of C–S–H.

  12. Soft X-ray spectromicroscopy for speciation, quantitation and nano-eco-toxicology of nanomaterials.

    Science.gov (United States)

    Lawrence, J R; Swerhone, G D W; Dynes, J J; Korber, D R; Hitchcock, A P

    2016-02-01

    There is a critical need for methods that provide simultaneous detection, identification, quantitation and visualization of nanomaterials at their interface with biological and environmental systems. The approach should allow speciation as well as elemental analysis. Using the intrinsic X-ray absorption properties, soft X-ray scanning transmission X-ray spectromicroscopy (STXM) allows characterization and imaging of a broad range of nanomaterials, including metals, oxides and organic materials, and at the same time is able to provide detailed mapping of biological components. Thus, STXM offers considerable potential for application to research on nanomaterials in biology and the environment. The potential and limitations of STXM in this context are discussed using a range of examples, focusing on the interaction of nanomaterials with microbial cells, biofilms and extracellular polymers. The studies outlined include speciation and mapping of metal-containing nanomaterials (Ti, Ni, Cu) and carbon-based nanomaterials (multiwalled carbon nanotubes, C60 fullerene). The benefits of X-ray fluorescence detection in soft X-ray STXM are illustrated with a study of low levels of Ni in a natural river biofilm. © 2014 The Authors Journal of Microscopy © 2014 Royal Microscopical Society.

  13. Remote Determination of Time-Dependent Stiffness of Surface-Degrading-Polymer Scaffolds Via Synchrotron-Based Imaging.

    Science.gov (United States)

    Bawolin, N K; Chen, X B

    2017-04-01

    Surface-degrading polymers have been widely used to fabricate scaffolds with the mechanical properties appropriate for tissue regeneration/repair. During their surface degradation, the material properties of polymers remain approximately unchanged, but the scaffold geometry and thus mechanical properties vary with time. This paper presents a novel method to determine the time-dependent mechanical properties, particularly stiffness, of scaffolds from the geometric changes captured by synchrotron-based imaging, with the help of finite element analysis (FEA). Three-dimensional (3D) tissue scaffolds were fabricated from surface-degrading polymers, and during their degradation, the tissue scaffolds were imaged via the synchrotron-based imaging to characterize their changing geometry. On this basis, the stiffness behavior of scaffolds was estimated from the FEA, and the results obtained were compared to the direct measurements of scaffold stiffness from the load-displacement material testing. The comparison illustrates that the Young's moduli estimated from the FEA and characterized geometry are in agreement with the ones of direct measurements. The developed method of estimating the mechanical behavior was also demonstrated effective with a nondegrading scaffold that displays the nonlinear stress-strain behavior. The in vivo monitoring of Young's modulus by morphology characterization also suggests the feasibility of characterizing experimentally the difference between in vivo and in vitro surface degradation of tissue engineering constructs.

  14. Scanning transmission x-ray microscope for materials science spectromicroscopy at the ALS

    Energy Technology Data Exchange (ETDEWEB)

    Warwick, T.; Seal, S.; Shin, H. [Ernest Orlando Lawrence Berkeley National Lab., CA (United States)] [and others

    1997-04-01

    The brightness of the Advanced Light Source will be exploited by several new instruments for materials science spectromicroscopy over the next year or so. The first of these to become operational is a scanning transmission x-ray microscope with which near edge x-ray absorption spectra (NEXAFS) can be measured on spatial features of sub-micron size. Here the authors describe the instrument as it is presently implemented, its capabilities, some studies made to date and the developments to come. The Scanning Transmission X-ray Microscope makes use of a zone plate lens to produce a small x-ray spot with which to perform absorption spectroscopy through thin samples. The x-ray beam from ALS undulator beamline 7.0 emerges into the microscope vessel through a silicon nitride vacuum window 160nm thick and 300{mu}m square. The vessel is filled with helium at atmospheric pressure. The zone plate lens is illuminated 1mm downstream from the vacuum window and forms an image in first order of a pinhole which is 3m upstream in the beamline. An order sorting aperture passes the first order converging light and blocks the unfocused zero order. The sample is at the focus a few mm downstream of the zone plate and mounted from a scanning piezo stage which rasters in x and y so that an image is formed, pixel by pixel, by an intensity detector behind the sample. Absorption spectra are measured point-by-point as the photon energy is scanned by rotating the diffraction grating in the monochromator and changing the undulator gap.

  15. Chemical speciation of polyurethane polymers by soft-x-ray spectromicroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Rightor, E.G. [Dow Chemical, Freeport, TX (United States); Hitchcock, A.P.; Urquhart, S.G. [McMaster Univ., Hamilton, Ontario (Canada)] [and others

    1997-04-01

    Polyurethane polymers are a versatile class of materials which have numerous applications in modern life, from automotive body panels, to insulation, to household furnishings. Phase segregation helps to determine the physical properties of several types of polyurethanes. Polymer scientists believe that understanding the connections between formulation chemistry, the chemical nature of the segregated phases, and the physical properties of the resulting polymer, would greatly advance development of improved polyurethane materials. However, the sub-micron size of segregated features precludes their chemical analysis by existing methods, leaving only indirect means of characterizing these features. For the past several years the authors have been developing near edge X-ray absorption spectromicroscopy to study the chemical nature of individual segregated phases. Part of this work has involved studies of molecular analogues and model polymers, in conjunction with quantum calculations, in order to identify the characteristic near edge spectral transitions of important chemical groups. This spectroscopic base is allowing the authors to study phase segregation in polyurethanes by taking advantage of several unique capabilities of scanning transmission x-ray microscopy (STXM) - high spatial resolution ({approximately} 0.1 {mu}m), high spectral resolution ({approximately}0.1 eV at the C 1s edge), and the ability to record images and spectra with relatively low radiation damage. The beamline 7.0 STXM at ALS is being used to study microtomed sections or cast films of polyurethanes. Based on the pioneering work of Ade, Kirz and collaborators at the NSLS X-1A STXM, it is clear that scanning X-ray transmission microscopy using soft X-rays can provide information about the chemical origin of phase segregation in radiation-sensitive materials on a sub-micron scale. This information is difficult or impossible to obtain by other means.

  16. First insights of Cr speciation in leached Portland cement using X-ray spectromicroscopy.

    Science.gov (United States)

    Rose, Jérôme; Bénard, Anne; Susini, Jean; Borschneck, Daniel; Hazemann, Jean-Louis; Cheylan, Pascal; Vichot, Angélique; Bottero, Jean-Yves

    2003-11-01

    X-ray spectromicroscopy has been successfully applied to determine the evolution of the Cr oxidation state in Portland cement during leaching experiments. To our knowledge, this is the first study that demonstrates the possibility to study the chromium oxidoreduction phenomena in cement materials at natural Cr concentration (approximately 60 ppm) and at the micron scale. Line scans of Cr for Cr(VI) doped (2000 ppm) and undoped samples indicate that the altered layer (0-1000 microm from the surface) is characterized by a lower amount of Cr as compared to the core part, whereas an accumulation appears in the intermediate region (1000-1300 microm). This Cr-rich interface could correspond to an accumulation of ettringite (3CaO x Al2O3 x 3CaSO4 x 32H2O) as reported by previous works. This mineral exhibits the property to incorporate Cr(III) and Cr(VI) by replacement of aluminum and sulfate, respectively, in the structure. The most surprising result concerns the evolution of the Cr(VI)/Cr(tot) ratio along the line spectra, which is constant from the altered layer to the core (both for doped and undoped samples). This means thatthe same amounts of Cr(VI) and Cr(tot) are released during leaching. Even for the undoped sample, Cr(VI) was detected in the altered layer at 40 microm from the surface. This result is not in perfect agreement with literature, which usually states that Cr(VI) is mainly leached out. Although this result must be confirmed, it clearly indicates that Cr(VI) may be less mobile than predicted by models. An attempt is made to identify potential Cr(VI) fixation phases.

  17. X-ray photoemission spectromicroscopy of titanium silicide formation in patterned microstructures

    International Nuclear Information System (INIS)

    Singh, S.; Solak, H.; Cerrina, F.

    1997-01-01

    Titanium silicide has the lowest resistivity of all the refractory metal silicides and has good thermal stability as well as excellent compatibility with Al metallization. It is used as an intermediate buffer layer between W vias and the Si substrate to provide good electrical contact in ULSI technology, whose submicron patterned features form the basis of the integrated circuits of today and tomorrow, in the self aligned silicide (salicide) formation process. TiSi 2 exists in two phases: a metastable C49 base-centered orthorhombic phase with specific resistivity of 60-90 μΩ-cm that is formed at a lower temperature (formation anneal) and the stable 12-15 μΩ-cm resistivity face-centered orthorhombic C54 phase into which C49 is transformed with a higher temperature (conversion anneal) step. C54 is clearly the target for low resistivity VLSI interconnects. However, it has been observed that when dimensions shrink below 1/mic (or when the Ti thickness drops below several hundred angstroms), the transformation of C49 into C54 is inhibited and agglomeration often occurs in fine lines at high temperatures. This results in a rise in resistivity due to incomplete transformation to C54 and because of discontinuities in the interconnect line resulting from agglomeration. Spectromicroscopy is an appropriate tool to study the evolution of the TiSi2 formation process because of its high resolution chemical imaging ability which can detect bonding changes even in the absence of changes in the relative amounts of species and because of the capability of studying thick open-quotes as isclose quotes industrial samples

  18. X-ray photoemission spectromicroscopy of titanium silicide formation in patterned microstructures

    Energy Technology Data Exchange (ETDEWEB)

    Singh, S.; Solak, H.; Cerrina, F. [Univ. of Wisconsin-Madison, Stoughton, WI (United States)] [and others

    1997-04-01

    Titanium silicide has the lowest resistivity of all the refractory metal silicides and has good thermal stability as well as excellent compatibility with Al metallization. It is used as an intermediate buffer layer between W vias and the Si substrate to provide good electrical contact in ULSI technology, whose submicron patterned features form the basis of the integrated circuits of today and tomorrow, in the self aligned silicide (salicide) formation process. TiSi{sub 2} exists in two phases: a metastable C49 base-centered orthorhombic phase with specific resistivity of 60-90 {mu}{Omega}-cm that is formed at a lower temperature (formation anneal) and the stable 12-15 {mu}{Omega}-cm resistivity face-centered orthorhombic C54 phase into which C49 is transformed with a higher temperature (conversion anneal) step. C54 is clearly the target for low resistivity VLSI interconnects. However, it has been observed that when dimensions shrink below 1/mic (or when the Ti thickness drops below several hundred angstroms), the transformation of C49 into C54 is inhibited and agglomeration often occurs in fine lines at high temperatures. This results in a rise in resistivity due to incomplete transformation to C54 and because of discontinuities in the interconnect line resulting from agglomeration. Spectromicroscopy is an appropriate tool to study the evolution of the TiSi2 formation process because of its high resolution chemical imaging ability which can detect bonding changes even in the absence of changes in the relative amounts of species and because of the capability of studying thick {open_quotes}as is{close_quotes} industrial samples.

  19. Possibilities and Challenges of Scanning Hard X-ray Spectro-microscopy Techniques in Material Sciences

    Directory of Open Access Journals (Sweden)

    Andrea Somogyi

    2015-06-01

    Full Text Available Scanning hard X-ray spectro-microscopic imaging opens unprecedented possibilities in the study of inhomogeneous samples at different length-scales. It gives insight into the spatial variation of the major and minor components, impurities and dopants of the sample, and their chemical and electronic states at micro- and nano-meter scales. Measuring, modelling and understanding novel properties of laterally confined structures are now attainable. The large penetration depth of hard X-rays (several keV to several 10 keV beam energy makes the study of layered and buried structures possible also in in situ and in operando conditions. The combination of different X-ray analytical techniques complementary to scanning spectro-microscopy, such as X-ray diffraction, X-ray excited optical luminescence, secondary ion mass spectrometry (SIMS and nano-SIMS, provides access to optical characteristics and strain and stress distributions. Complex sample environments (temperature, pressure, controlled atmosphere/vacuum, chemical environment are also possible and were demonstrated, and allow as well the combination with other analysis techniques (Raman spectroscopy, infrared imaging, mechanical tensile devices, etc. on precisely the very same area of the sample. The use of the coherence properties of X-rays from synchrotron sources is triggering emerging experimental imaging approaches with nanometer lateral resolution. New fast analytical possibilities pave the way towards statistically significant studies at multi- length-scales and three dimensional tomographic investigations. This paper gives an overview of these techniques and their recent achievements in the field of material sciences.

  20. Synchrotron-based radioscopy employing spatio-temporal micro-resolution for studying fast phenomena in liquid metal foams

    International Nuclear Information System (INIS)

    Rack, A.; García-Moreno, F.; Baumbach, T.; Banhart, J.

    2009-01-01

    High-speed synchrotron-based radioscopy is applied to study a coalescence event (which lasts ∼2 ms) in situ in a liquid metal foam. Investigations of pore coalescence and individual cell wall collapse in an expanding liquid metal foam by means of X-ray radioscopy with spatio-temporal micro-resolution are reported. By using white synchrotron radiation for imaging, the rupture of a film and the subsequent merger of two neighbouring bubbles could be recorded with a time sampling rate of 40000 frames s −1 (25 µs exposure time) and a spatial sampling rate of 20 µm. The rupture time of a cell wall was found to be in the range of 300 µs. This value is in agreement with theoretical considerations which assume an inertia-dominated rupture time of cell walls in liquid metal foams

  1. Coherent Synchrotron-Based Micro-Imaging Employed for Studies of Micro-Gap Formation in Dental Implants

    International Nuclear Information System (INIS)

    Rack, T.; Stiller, M.; Nelson, K.; Zabler, S.; Rack, A.; Riesemeier, H.; Cecilia, A.

    2011-01-01

    Biocompatible materials such as titanium are regularly applied in oral surgery. Titanium-based implants for the replacement of missing teeth demand a high mechanical precision in order to minimize micro-bacterial leakage, especially when two-piece concepts are used. Synchrotron-based hard x-ray radiography, unlike conventional laboratory radiography, allows high spatial resolution in combination with high contrast even when micro-sized features in such highly attenuating objects are visualized. Therefore, micro-gap formation at interfaces in two-piece dental implants with the sample under different mechanical loads can be studied. We show the existence of micro-gaps in implants with conical connections and study the mechanical behavior of the mating zone of conical implants during loading. The micro-gap is a potential source of implant failure, i.e., bacterial leakage, which can be a stimulus for an inflammatory process.

  2. Synchrotron-based DEI for bio-imaging and DEI-CT to image phantoms with contrast agents

    International Nuclear Information System (INIS)

    Rao, Donepudi V.; Swapna, Medasani; Cesareo, Roberto; Brunetti, Antonio; Akatsuka, Tako; Yuasa, Tetsuya; Zhong, Zhong; Takeda, Tohoru; Gigante, Giovanni E.

    2012-01-01

    The introduction of water, physiological, or iodine as contrast agents is shown to enhance minute image features in synchrotron-based X-ray diffraction radiographic and tomographic imaging. Anatomical features of rat kidney, such as papillary ducts, ureter, renal artery and renal vein are clearly distinguishable. Olfactory bulb, olfactory tact, and descending bundles of the rat brain are visible with improved contrast. - Highlights: ► Distinguishable anatomical structures features of rat kidney and rat brain are acquired with Sy-DEI in planar mode. ► Images of a small brain phantom and cylindrical phantom are acquired in tomography mode (Sy-DEI-CT) with contrast agents. ► Sy-DEI and Sy-DEI-CT techniques provide new source of information related to biological microanatomy.

  3. Transport Measurements and Synchrotron-Based X-Ray Absorption Spectroscopy of Iron Silicon Germanide Grown by Molecular Beam Epitaxy

    Science.gov (United States)

    Elmarhoumi, Nader; Cottier, Ryan; Merchan, Greg; Roy, Amitava; Lohn, Chris; Geisler, Heike; Ventrice, Carl, Jr.; Golding, Terry

    2009-03-01

    Some of the iron-based metal silicide and germanide phases have been predicted to be direct band gap semiconductors. Therefore, they show promise for use as optoelectronic materials. We have used synchrotron-based x-ray absorption spectroscopy to study the structure of iron silicon germanide films grown by molecular beam epitaxy. A series of Fe(Si1-xGex)2 thin films (2000 -- 8000å) with a nominal Ge concentration of up to x = 0.04 have been grown. X-ray absorption near edge structure (XANES) and extended x-ray absorption fine structure (EXAFS) measurements have been performed on the films. The nearest neighbor co-ordination corresponding to the β-FeSi2 phase of iron silicide provides the best fit with the EXAFS data. Temperature dependent (20 coefficient was calculated. Results suggest semiconducting behavior of the films which is consistent with the EXAFS results.

  4. Depth profiling the solid electrolyte interphase on lithium titanate (Li4Ti5O12) using synchrotron-based photoelectron spectroscopy

    DEFF Research Database (Denmark)

    Nordh, Tim; Younesi, Reza; Brandell, Daniel

    2015-01-01

    The presence of a surface layer on lithium titanate (Li4Ti5O12, LTO) anodes, which has been a topic of debate in scientific literature, is here investigated with tunable high surface sensitive synchrotron-based photoelectron spectroscopy (PES) to obtain a reliable depth profile of the interphase...

  5. Synchrotron-based X-ray Fluorescence Microscopy in Conjunction with Nanoindentation to Study Molecular-Scale Interactions of Phenol–Formaldehyde in Wood Cell Walls

    Science.gov (United States)

    Joseph E. Jakes; Christopher G. Hunt; Daniel J. Yelle; Linda Lorenz; Kolby Hirth; Sophie-Charlotte Gleber; Stefan Vogt; Warren Grigsby; Charles R. Frihart

    2015-01-01

    Understanding and controlling molecular-scale interactions between adhesives and wood polymers are critical to accelerate the development of improved adhesives for advanced wood-based materials. The submicrometer resolution of synchrotron-based X-ray fluorescence microscopy (XFM) was found capable of mapping and quantifying infiltration of Br-labeled phenol−...

  6. Quantifying redox-induced Schottky barrier variations in memristive devices via in operando spectromicroscopy with graphene electrodes

    Science.gov (United States)

    Baeumer, Christoph; Schmitz, Christoph; Marchewka, Astrid; Mueller, David N.; Valenta, Richard; Hackl, Johanna; Raab, Nicolas; Rogers, Steven P.; Khan, M. Imtiaz; Nemsak, Slavomir; Shim, Moonsub; Menzel, Stephan; Schneider, Claus Michael; Waser, Rainer; Dittmann, Regina

    2016-08-01

    The continuing revolutionary success of mobile computing and smart devices calls for the development of novel, cost- and energy-efficient memories. Resistive switching is attractive because of, inter alia, increased switching speed and device density. On electrical stimulus, complex nanoscale redox processes are suspected to induce a resistance change in memristive devices. Quantitative information about these processes, which has been experimentally inaccessible so far, is essential for further advances. Here we use in operando spectromicroscopy to verify that redox reactions drive the resistance change. A remarkable agreement between experimental quantification of the redox state and device simulation reveals that changes in donor concentration by a factor of 2-3 at electrode-oxide interfaces cause a modulation of the effective Schottky barrier and lead to >2 orders of magnitude change in device resistance. These findings allow realistic device simulations, opening a route to less empirical and more predictive design of future memory cells.

  7. Adsorption of ethylene carbonate on lithium cobalt oxide thin films: A synchrotron-based spectroscopic study of the surface chemistry

    Science.gov (United States)

    Fingerle, Mathias; Späth, Thomas; Schulz, Natalia; Hausbrand, René

    2017-11-01

    The surface chemistry of cathodic lithium cobalt oxide (LiCoO2) in contact with the Li-ion battery solvent ethylene carbonate (EC) was studied via synchrotron based soft X-ray photoelectron spectroscopy (SXPS). By stepwise in-situ adsorption of EC onto an rf-magnetron sputtered LiCoO2 thin film and consecutive recording of SXPS spectra, the chemical and electronic properties of the interface were determined. EC partially decomposes and forms a predominantly organic adlayer. Prolonged exposure results in the formation of a condensed EC layer, demonstrating that the decomposition layer has passivating properties. Lithium ions deintercalate from the electrode and are dissolved in the adsorbate phase, without forming a large amount of Li-containing reaction products, indicating that electrolyte reduction remains limited. Due to a large offset between the LiCoO2 valence band and the EC HOMO, oxidation of EC molecules is unlikely, and should require energy level shifts due to interaction or double layer effects for real systems.

  8. High-resolution non-invasive 3D imaging of paint microstructure by synchrotron-based X-ray laminography

    International Nuclear Information System (INIS)

    Reischig, Peter; Helfen, Lukas; Wallert, Arie; Baumbach, Tilo; Dik, Joris

    2013-01-01

    The characterisation of the microstructure and micromechanical behaviour of paint is key to a range of problems related to the conservation or technical art history of paintings. Synchrotron-based X-ray laminography is demonstrated in this paper to image the local sub-surface microstructure in paintings in a non-invasive and non-destructive way. Based on absorption and phase contrast, the method can provide high-resolution 3D maps of the paint stratigraphy, including the substrate, and visualise small features, such as pigment particles, voids, cracks, wood cells, canvas fibres etc. Reconstructions may be indicative of local density or chemical composition due to increased attenuation of X-rays by elements of higher atomic number. The paint layers and their interfaces can be distinguished via variations in morphology or composition. Results of feasibility tests on a painting mockup (oak panel, chalk ground, vermilion and lead white paint) are shown, where lateral and depth resolution of up to a few micrometres is demonstrated. The method is well adapted to study the temporal evolution of the stratigraphy in test specimens and offers an alternative to destructive sampling of original works of art. (orig.)

  9. Study of Cr(VI) adsorption onto magnetite nanoparticles using synchrotron-based X-ray absorption spectroscopy

    Science.gov (United States)

    Chen, Yen-Hua; Liu, Dian-Yu; Lee, Jyh-Fu

    2018-04-01

    In this study, the efficiency of Cr(VI) adsorption onto nano-magnetite was examined by batch experiments, and the Cr(VI) adsorption mechanism was investigated using synchrotron-based X-ray absorption spectroscopy. Magnetite nanoparticles with a mean diameter of 10 nm were synthesized using an inexpensive and simple co-precipitation method. It shows a saturation magnetization of 54.3 emu/g, which can be recovered with an external magnetic field. The adsorption data fitted the Langmuir adsorption isotherm well, implying a monolayer adsorption behavior of Cr(VI) onto nano-magnetite. X-ray absorption spectroscopy results indicate that the adsorption mechanism involves electron transfer between Fe(II) in nano-magnetite (Fe2+OFe3+ 2O3) and Cr(VI) to transform into Cr(III), which may exist as an Fe(III)-Cr(III) mixed solid phase. Moreover, the Cr(III)/Cr(VI) ratio in the final products can be determined by the characteristic pre-edge peak area of Cr(VI) in the Cr K-edge spectrum. These findings suggest that nano-magnetite is effective for Cr(VI) removal from wastewater because it can transform highly poisonous Cr(VI) species into nontoxic Cr(III) compounds, which are highly insoluble and immobile under environmental conditions.

  10. Applications of synchrotron-based X-ray fluorescence technique in materials science-possibilities at INDUS-2

    International Nuclear Information System (INIS)

    Tiwari, Manoj K.

    2016-01-01

    X-ray fluorescence (XRF) spectroscopy has seen remarkable progress over the last few decades. Numerous applications in basic and applied sciences demonstrate its importance. Various advantages of XRF technique have motivated us to construct a microfocus XRF beamline (BL-16) on Indus-2 national synchrotron radiation facility. The BL-16 beamline offers a wide range of usages - both from research laboratories and industries; and for researchers working in diverse fields. Apart from the fields of pure sciences like physics and chemistry, the beamline provides an attractive platform to exercise material science applications, interdisciplinary applied sciences like medical, forensic and environmental studies etc. In addition to micro-XRF characterization, BL-16 beamline allows a user to perform studies using other advanced synchrotron based experimental methodologies, viz; grazing incidence X-ray fluorescence (GIXRF) analysis, chemical speciation, near-edge absorption spectroscopy and X-ray reflectivity studies of thin layered materials etc. The combined XRR-GIXRF analysis feature of the BL-16 beamline offers a novel capability to perform GIXRF assisted depth resolved X-ray studies to investigate chemical state and electronic structure of the thin nano-structured materials. The design aspects and various salient features of the BL-16 beamline X-ray reflectometer will be presented along with the measured performance. (author)

  11. Quantified abundance of magnetofossils at the Paleocene-Eocene boundary from synchrotron-based transmission X-ray microscopy.

    Science.gov (United States)

    Wang, Huapei; Wang, Jun; Chen-Wiegart, Yu-Chen Karen; Kent, Dennis V

    2015-10-13

    The Paleocene-Eocene boundary (∼55.8 million years ago) is marked by an abrupt negative carbon isotope excursion (CIE) that coincides with an oxygen isotope decrease interpreted as the Paleocene-Eocene thermal maximum. Biogenic magnetite (Fe3O4) in the form of giant (micron-sized) spearhead-like and spindle-like magnetofossils, as well as nano-sized magnetotactic bacteria magnetosome chains, have been reported in clay-rich sediments in the New Jersey Atlantic Coastal Plain and were thought to account for the distinctive single-domain magnetic properties of these sediments. Uncalibrated strong field magnet extraction techniques have been typically used to provide material for scanning and transmission electron microscopic imaging of these magnetic particles, whose concentration in the natural sediment is thus difficult to quantify. In this study, we use a recently developed ultrahigh-resolution, synchrotron-based, full-field transmission X-ray microscope to study the iron-rich minerals within the clay sediment in their bulk state. We are able to estimate the total magnetization concentration of the giant biogenic magnetofossils to be only ∼10% of whole sediment. Along with previous rock magnetic studies on the CIE clay, we suggest that most of the magnetite in the clay occurs as isolated, near-equidimensional nanoparticles, a suggestion that points to a nonbiogenic origin, such as comet impact plume condensates in what may be very rapidly deposited CIE clays.

  12. In vitro synchrotron-based radiography of micro-gap formation at the implant-abutment interface of two-piece dental implants.

    Science.gov (United States)

    Rack, A; Rack, T; Stiller, M; Riesemeier, H; Zabler, S; Nelson, K

    2010-03-01

    Micro-gap formation at the implant-abutment interface of two-piece dental implants was investigated in vitro using high-resolution radiography in combination with hard X-ray synchrotron radiation. Images were taken with the specimen under different mechanical loads of up to 100 N. The aim of this investigation was to prove the existence of micro-gaps for implants with conical connections as well as to study the mechanical behavior of the mating zone of conical implants during loading. Synchrotron-based radiography in comparison with classical laboratory radiography yields high spatial resolution in combination with high contrast even when exploiting micro-sized features in highly attenuating objects. The first illustration of a micro-gap which was previously indistinguishable by laboratory methods underlines that the complex micro-mechanical behavior of implants requires further in vitro investigations where synchrotron-based micro-imaging is one of the prerequisites.

  13. Recent research in flaxseed (oil seed) on molecular structure and metabolic characteristics of protein, heat processing-induced effect and nutrition with advanced synchrotron-based molecular techniques.

    Science.gov (United States)

    Doiron, Kevin J; Yu, Peiqiang

    2017-01-02

    Advanced synchrotron radiation-based infrared microspectroscopy is able to reveal feed and food structure feature at cellular and molecular levels and simultaneously provides composition, structure, environment, and chemistry within intact tissue. However, to date, this advanced synchrotron-based technique is still seldom known to food and feed scientists. This article aims to provide detailed background for flaxseed (oil seed) protein research and then review recent progress and development in flaxseed research in ruminant nutrition in the areas of (1) dietary inclusion of flaxseed in rations; (2) heat processing effect; (3) assessing dietary protein; (4) synchrotron-based Fourier transform infrared microspectroscopy as a tool of nutritive evaluation within cellular and subcellular dimensions; (5) recent synchrotron applications in flaxseed research on a molecular basis. The information described in this paper gives better insight in flaxseed research progress and update.

  14. Development of a laser-based heating system for in situ synchrotron-based X-ray tomographic microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Fife, Julie L., E-mail: julie.fife@psi.ch [Laboratory for Synchrotron Radiation, Swiss Light Source, Paul Scherrer Institut, Villigen (Switzerland); Computational Materials Laboratory, Ecole Polytechnique Federale de Lausanne, Lausanne (Switzerland); Rappaz, Michel [Computational Materials Laboratory, Ecole Polytechnique Federale de Lausanne, Lausanne (Switzerland); Pistone, Mattia [Institute for Geochemistry and Petrology, Swiss Federal Institute of Technology of Zurich, Zurich (Switzerland); Celcer, Tine [Laboratory for Synchrotron Radiation, Swiss Light Source, Paul Scherrer Institut, Villigen (Switzerland); The Centre of Excellence for Biosensors, Instrumentation and Process Control, Solkan (Slovenia); Mikuljan, Gordan [Laboratory for Synchrotron Radiation, Swiss Light Source, Paul Scherrer Institut, Villigen (Switzerland); Stampanoni, Marco [Laboratory for Synchrotron Radiation, Swiss Light Source, Paul Scherrer Institut, Villigen (Switzerland); Institute for Biomedical Engineering, Swiss Federal Institute of Technology and University of Zurich, Zurich (Switzerland)

    2012-05-01

    A laser-based heating system has been developed at the TOMCAT beamline of the Swiss Light Source for in situ observations of moderate-to-high-temperature applications of materials. Understanding the formation of materials at elevated temperatures is critical for determining their final properties. Synchrotron-based X-ray tomographic microscopy is an ideal technique for studying such processes because high spatial and temporal resolutions are easily achieved and the technique is non-destructive, meaning additional analyses can take place after data collection. To exploit the state-of-the-art capabilities at the tomographic microscopy and coherent radiology experiments (TOMCAT) beamline of the Swiss Light Source, a general-use moderate-to-high-temperature furnace has been developed. Powered by two diode lasers, it provides controlled localized heating, from 673 to 1973 K, to examine many materials systems and their dynamics in real time. The system can also be operated in various thermal modalities. For example, near-isothermal conditions at a given sample location can be achieved with a prescribed time-dependent temperature. This mode is typically used to study isothermal phase transformations; for example, the formation of equiaxed grains in metallic systems or to nucleate and grow bubble foams in silicate melts under conditions that simulate volcanic processes. In another mode, the power of the laser can be fixed and the specimen moved at a constant speed in a user-defined thermal gradient. This is similar to Bridgman solidification, where the thermal gradient and cooling rate control the microstructure formation. This paper details the experimental set-up and provides multiple proofs-of-concept that illustrate the versatility of using this laser-based heating system to explore, in situ, many elevated-temperature phenomena in a variety of materials.

  15. Ex vivo and in vitro synchrotron-based micro-imaging of biocompatible materials applied in dental surgery

    Science.gov (United States)

    Rack, A.; Stiller, M.; Nelson, K.; Knabe, C.; Rack, T.; Zabler, S.; Dalügge, O.; Riesemeier, H.; Cecilia, A.; Goebbels, J.

    2010-09-01

    Biocompatible materials such as porous bioactive calcium phosphate ceramics or titanium are regularly applied in dental surgery: ceramics are used to support the local bone regeneration in a given defect, afterwards titanium implants replace lost teeth. The current gold standard for bone reconstruction in implant dentistry is the use of autogenous bone grafts. But the concept of guided bone regeneration (GBR) has become a predictable and well documented surgical approach using biomaterials (bioactive calcium phosphate ceramics) which qualify as bone substitutes for this kind of application as well. We applied high resolution synchrotron microtomography and subsequent 3d image analysis in order to investigate bone formation and degradation of the bone substitute material in a three-dimensional manner, extending the knowledge beyond the limits of classical histology. Following the bone regeneration, titanium-based implants to replace lost teeth call for high mechanical precision, especially when two-piece concepts are used in order to guaranty leak tightness. Here, synchrotron-based radiography in comparison with classical laboratory radiography yields high spatial resolution in combination with high contrast even when exploiting micro-sized features in these kind of highly attenuating objects. Therefore, we could study micro-gap formation at interfaces in two-piece dental implants with the specimen under different mechanical load. We could prove the existence of micro-gaps for implants with conical connections as well as to study the micromechanical behavior of the mating zone of conical implants during loading. The micro-gap is a potential issue of failure, i. e. bacterial leakage which can induce an inflammatory process.

  16. Biological Applications Of Fourier Transform Infrared (FTIR) Or Bloody FTIR

    Science.gov (United States)

    Jakobsen, R. J.; Winters, S.; Gendreau, R. M.

    1981-10-01

    An ex vivo FT-IR/ATR experiment for studying blood protein adsorption at the molecular level is described. This experiment involves the use of live dogs pumping the blood through a arterial-veinal shunt to the ATR cell and back into the animal. The results from these live dog experiments are compared to results obtained using donated whole blood. These experiments demonstrate that FT-IR can be used to study aqueous, physiological, flowing solutions in real time with the sensitivity necessary to detect minor changes.

  17. FTIR Emission spectroscopy of surfaces

    Science.gov (United States)

    Van Woerkom, P. C. M.

    A number of vibrational spectroscopic techniques are available For the study of surfaces, such as ATR, IR reflection-absorption, IR emission, etc. Infrared emission is hardly used, although interesting applications are possible now due to the high sensitivity of Fourier transform IR (FTIR) spectrometers. Two examples, where infrared emission measurements are very fruitful, will be given. One is the investigation of the curing behaviour of organic coatings, the other is the in situ study of heterogeneously catalyzed reactions. Undoubtedly, infrared emission measurements offer a number of specific advantages in some cases. Especially the less critical demands on the sample preparation are important.

  18. FTIR Calibration Methods and Issues

    Science.gov (United States)

    Perron, Gaetan

    Over the past 10 years, several space-borne FTIR missions were launched for atmospheric research, environmental monitoring and meteorology. One can think of the Michelson Interferometer for Passive Atmospheric Sounding (MIPAS) launched by the European Space Agency, the Atmospheric Chemistry Experiment (ACE) launched by the Canadian Space Agency, the Tropospheric Emission Spectrometer (TES) launched by NASA and the Infrared Atmospheric Sounding Interferometer (IASI) launched by Eumetsat in Europe. Others are near to be launched, namely the Cross-track Infrared Sounder (CrIS) from the Integrated Program Of- fice in the United States and the Thermal And Near infrared Sensor for carbon Observation (TANSO) from the Japan Aerospace Exploration Agency. Moreover, several missions under definition foresee the use of this technology as sensor, e.g. Meteosat Third Generation (MTG), Eumetsat Polar System (EPS) and the Premier mission, one of the six candidates of the next ESA Earth Explorer Core Mission. In order to produce good quality products, calibration is essential. Calibrated data is the output of three main sub-systems that are tightly coupled: the instrument, the calibration targets and the level 1B processor. Calibration requirements must be carefully defined and propagated to each sub-system. Often, they are carried out by different parties which add to the complexity. Under budget and schedule pressure, some aspects are sometimes neglected and jeopardized final quality. For space-borne FTIR, level 1B outputs are spectra that are radiometrically, spectrally calibrated and geolocated. Radiometric calibration means to assign an intensity value in units to the y-axis. Spectral calibration means to assign to the x-axis the proper frequency value in units. Finally, geolocated means to assign a target position over the earth geoid i.e. longitude, latitude and altitude. This paper will present calibration methods and issues related to space-borne FTIR missions, e.g. two

  19. Trace elements and As speciation analysis of fly ash samples from an Indonesian coal power plant by means of neutron activation analysis and synchrotron based techniques

    International Nuclear Information System (INIS)

    Muhayatun Santoso; Diah Dwiana Lestiani; Endah Damastuti; Syukria Kurniawat; Bennett, J.W.; Juan Jose Leani; Mateusz Czyzycki; Alessandro Migliori; Germanos Karydas, Andreas

    2016-01-01

    The elemental characterization of coal fly ash samples is required to estimate the coal burning emissions into the environment and to assess the potential impact into the biosphere. Fly ash samples collected from a coal fired power plant in center Java, Indonesia were characterized by instrumental neutron activation analysis at two different facilities (BATAN, ANSTO) and synchrotron based techniques at Elettra Italy. Assessment of thirty (30) elements and an investigation of the potential toxicity of As species in coal fly ash were presented. The results obtained are discussed and compared with those reported from other regions of the world. (author)

  20. In vitro synchrotron-based radiography of micro-gap formation at the implant–abutment interface of two-piece dental implants

    International Nuclear Information System (INIS)

    Rack, A.; Rack, T.; Stiller, M.; Riesemeier, H.; Zabler, S.; Nelson, K.

    2010-01-01

    Micro-radiography using hard X-ray synchrotron radiation is the first potential tool to allow an evaluation of the mechanical behavior of the dental implant–abutment complex during force application, thus enabling the enhancement of the design of dental implants which has been based on theoretical analysis to date. Micro-gap formation at the implant–abutment interface of two-piece dental implants was investigated in vitro using high-resolution radiography in combination with hard X-ray synchrotron radiation. Images were taken with the specimen under different mechanical loads of up to 100 N. The aim of this investigation was to prove the existence of micro-gaps for implants with conical connections as well as to study the mechanical behavior of the mating zone of conical implants during loading. Synchrotron-based radiography in comparison with classical laboratory radiography yields high spatial resolution in combination with high contrast even when exploiting micro-sized features in highly attenuating objects. The first illustration of a micro-gap which was previously indistinguishable by laboratory methods underlines that the complex micro-mechanical behavior of implants requires further in vitro investigations where synchrotron-based micro-imaging is one of the prerequisites

  1. Nondestructive mapping of chemical composition and structural qualities of group III-nitride nanowires using submicron beam synchrotron-based X-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Bonanno, P.L., E-mail: plb2@njit.edu [Georgia Institute of Technology/GTL, UMI 2958 Georgia Tech-CNRS, 57070 Metz (France); Gautier, S. [LMOPS + UMI: Laboratoire Matériaux Optiques, Photonique et micro-nano Systèmes, UMR CNRS 7132, Université de Metz et SUPELEC, 2 rue E. Belin, 57070 Metz, France, UMI 2958 Georgia Tech-CNRS, 57070 Metz (France); Gmili, Y.El.; Moudakir, T. [UMI 2958 Georgia Tech-CNRS, 57070 Metz (France); Sirenko, A.A. [Department of Physics, New Jersey Institute of Technology, Newark, NJ 07102 (United States); Kazimirov, A. [Cornell High Energy Synchrotron Source (CHESS), Cornell University, Ithaca, NY 14853 (United States); Cai, Z.-H. [Advanced Photon Source, 9700 S. Cass Avenue, Argonne, IL 60439 (United States); Martin, J. [LMOPS + UMI: Laboratoire Matériaux Optiques, Photonique et micro-nano Systèmes, UMR CNRS 7132, Université de Metz et SUPELEC, 2 rue E. Belin, 57070 Metz, France, UMI 2958 Georgia Tech-CNRS, 57070 Metz (France); Goh, W.H. [Georgia Institute of Technology/GTL, UMI 2958 Georgia Tech-CNRS, 57070 Metz (France); Martinez, A.; Ramdane, A.; Le Gratiet, L. [Laboratoire de Photonique et de Nanostructures, UPR CNRS 20, Route de Nozay, 91460 Marcoussis (France); Maloufi, N. [Laboratoire d' Etude des Textures et Application aux Matériaux UMR CNRS 7078 Ile du Saulcy 57045 METZ cedex 1 (France); Assouar, M.B. [Laboratoire de Physique des Milieux Ionisés et Applications, Nancy University, CNRS, BP 239, F-54506 Vandoeuvre-lès-Nancy Cédex (France); Ougazzaden, A. [Georgia Institute of Technology/GTL, UMI 2958 Georgia Tech-CNRS, 57070 Metz (France)

    2013-08-31

    Submicron beam synchrotron-based X-ray diffraction (XRD) techniques have been developed and used to accurately and nondestructively map chemical composition and material quality of selectively grown group III-nitride nanowires. GaN, AlGaN, and InGaN multi-quantum-well nanowires have been selectively grown on lattice matched and mismatched substrates, and the challenges associated with obtaining and interpreting submicron beam XRD results are addressed and solved. Nanoscale cathodoluminescence is used to examine exciton behavior, and energy-dispersive X-ray spectroscopy is used to verify chemical composition. Scanning transmission electron microscopy is later used to paint a more complete picture. The advantages of submicron beam XRD over other techniques are discussed in the context of this challenging material system. - Highlights: ► We used nano selective area growth to create nanowires of GaN, AlGaN and InGaN/GaN. ► We characterized them by synchrotron-based submicron beam X-ray diffraction (XRD). ► This technique accurately determined chemical and crystallographic properties. ► Challenges of XRD are addressed in the context of this challenging material system. ► Advantages of XRD over other characterization methods are discussed.

  2. In vitro synchrotron-based radiography of micro-gap formation at the implant–abutment interface of two-piece dental implants

    Energy Technology Data Exchange (ETDEWEB)

    Rack, A., E-mail: arack@snafu.de [European Synchrotron Radiation Facility, Grenoble (France); Rack, T. [Charité, Department of Oral and Maxillofacial Surgery, Clinical Navigation and Robotics, Berlin (Germany); Stiller, M. [Charité, Department of Maxillofacial and Facial-Plastic Surgery, Division of Oral Medicine, Radiology and Surgery, Berlin (Germany); Riesemeier, H. [Bundesanstalt für Materialforschung und -prüfung, Division Structure Analysis, Polymer Analysis, Berlin (Germany); Zabler, S. [Technical University of Berlin, Institute for Materials Engineering (Germany); Nelson, K. [Charité, Department of Oral and Maxillofacial Surgery, Clinical Navigation and Robotics, Berlin (Germany)

    2010-03-01

    Micro-radiography using hard X-ray synchrotron radiation is the first potential tool to allow an evaluation of the mechanical behavior of the dental implant–abutment complex during force application, thus enabling the enhancement of the design of dental implants which has been based on theoretical analysis to date. Micro-gap formation at the implant–abutment interface of two-piece dental implants was investigated in vitro using high-resolution radiography in combination with hard X-ray synchrotron radiation. Images were taken with the specimen under different mechanical loads of up to 100 N. The aim of this investigation was to prove the existence of micro-gaps for implants with conical connections as well as to study the mechanical behavior of the mating zone of conical implants during loading. Synchrotron-based radiography in comparison with classical laboratory radiography yields high spatial resolution in combination with high contrast even when exploiting micro-sized features in highly attenuating objects. The first illustration of a micro-gap which was previously indistinguishable by laboratory methods underlines that the complex micro-mechanical behavior of implants requires further in vitro investigations where synchrotron-based micro-imaging is one of the prerequisites.

  3. Intergranular stress study of TC11 titanium alloy after laser shock peening by synchrotron-based high-energy X-ray diffraction

    Science.gov (United States)

    Su, R.; Li, L.; Wang, Y. D.; Nie, Z. H.; Ren, Y.; Zhou, X.; Wang, J.

    2018-05-01

    The distribution of residual lattice strain as a function of depth were carefully investigated by synchrotron-based high energy X-ray diffraction (HEXRD) in TC11 titanium alloy after laser shock peening (LSP). The results presented big compressive residual lattice strains at surface and subsurface, then tensile residual lattice strains in deeper region, and finally close to zero lattice strains in further deep interior with no plastic deformation thereafter. These evolutions in residual lattice strains were attributed to the balance of direct load effect from laser shock wave and the derivative restriction force effect from surrounding material. Significant intergranular stress was evidenced in the processed sample. The intergranular stress exhibited the largest value at surface, and rapidly decreased with depth increase. The magnitude of intergranular stress was proportional to the severity of the plastic deformation caused by LSP. Two shocks generated larger intergranular stress than one shock.

  4. Plant-based food and feed protein structure changes induced by gene-transformation, heating and bio-ethanol processing: a synchrotron-based molecular structure and nutrition research program.

    Science.gov (United States)

    Yu, Peiqiang

    2010-11-01

    Unlike traditional "wet" analytical methods which during processing for analysis often result in destruction or alteration of the intrinsic protein structures, advanced synchrotron radiation-based Fourier transform infrared microspectroscopy has been developed as a rapid and nondestructive and bioanalytical technique. This cutting-edge synchrotron-based bioanalytical technology, taking advantages of synchrotron light brightness (million times brighter than sun), is capable of exploring the molecular chemistry or structure of a biological tissue without destruction inherent structures at ultra-spatial resolutions. In this article, a novel approach is introduced to show the potential of the advanced synchrotron-based analytical technology, which can be used to study plant-based food or feed protein molecular structure in relation to nutrient utilization and availability. Recent progress was reported on using synchrotron-based bioanalytical technique synchrotron radiation-based Fourier transform infrared microspectroscopy and diffused reflectance infrared Fourier transform spectroscopy to detect the effects of gene-transformation (Application 1), autoclaving (Application 2), and bio-ethanol processing (Application 3) on plant-based food and feed protein structure changes on a molecular basis. The synchrotron-based technology provides a new approach for plant-based protein structure research at ultra-spatial resolutions at cellular and molecular levels.

  5. Photoelectron spectroscopy and spectro-microscopy of Pb(Zr,Ti)O{sub 3} (1 1 1) thin layers: Imaging ferroelectric domains with binding energy contrast

    Energy Technology Data Exchange (ETDEWEB)

    Huşanu, Marius A.; Popescu, Dana G.; Tache, Cristian A. [National Institute of Materials Physics, Atomistilor 105b, 077125 Magurele-Ilfov (Romania); Apostol, Nicoleta G. [National Institute of Materials Physics, Atomistilor 105b, 077125 Magurele-Ilfov (Romania); Elettra Sincrotrone Trieste, S.S. 14 – km 163,5, Area Science Park, 34169 Basovizza-Trieste (Italy); Barinov, Alexei; Lizzit, Silvano; Lacovig, Paolo [Elettra Sincrotrone Trieste, S.S. 14 – km 163,5, Area Science Park, 34169 Basovizza-Trieste (Italy); Teodorescu, Cristian M., E-mail: teodorescu@infim.ro [National Institute of Materials Physics, Atomistilor 105b, 077125 Magurele-Ilfov (Romania)

    2015-10-15

    Graphical abstract: - Highlights: • Achievement of well ordered PZT(1 1 1) surfaces with reasonable low energy electron diffraction patterns and good stoichiometry. • Ability of photoelectron spectromicroscopy to visualize ferroelectric domains with contrast of binding energy. • Model taking into account the influence of photogenerated carriers on the depolarization field and its torque on the polarization vector. • Evidence of domain wall migration induced by photogenerated carriers. • Segregation of metal Pb only on areas with out-of-plane component of the polarization pointing outwards. - Abstract: The ability of photoelectron spectro-microscopy with sub-micrometer lateral resolution to identify ferroelectric domains by analysis of surface band bendings is demonstrated on lead zirco-titanate PZT(1 1 1) thin films grown by pulsed laser deposition. Conventional synchrotron radiation X-ray photoelectron spectroscopy allowed one to derive the surface composition of the sample and evidenced shifts toward higher binding energy when the sample is subject to intense soft X-ray beam. A basic model is developed which supposes that photogenerated carriers reduce the depolarization field, yielding a lower torque applied to the ferroelectric polarization. As a consequence, the out-of-plane component of the polarization increases. Domain migration during irradiation with soft X-ray is inferred from the relative amplitude of the components with different binding energy. When the flux density of soft X-ray is on the order of 10{sup 11} photons/(s μm{sup 2}), metal Pb clusters are formed at the surface on areas with the out-of-plane component of the polarization pointing outwards only.

  6. Localization and chemical forms of cadmium in plant samples by combining analytical electron microscopy and X-ray spectromicroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Isaure, Marie-Pierre [Section d' Application des Traceurs, LITEN, CEA-Grenoble, 17, rue des Martyrs, 38054 Grenoble cedex 9 (France) and Environmental Geochemistry Group, LGIT, UMR 5559, Universite J. Fourier and CNRS, BP 53, 38041 Grenoble cedex 9 (France)]. E-mail: mpisaure@ujf-grenoble.fr; Fayard, Barbara [Laboratoire de Physique des Solides, UMR 8502 Universite Paris Sud, 91405 Orsay (France); European Synchrotron Radiation Facility, ID-21, BP220, 38043 Grenoble (France); Sarret, Geraldine [Environmental Geochemistry Group, LGIT, UMR 5559, Universite J. Fourier and CNRS, BP 53, 38041 Grenoble cedex 9 (France); Pairis, Sebastien [Laboratoire de Cristallographie, UPR 5031, 25 Avenue des Martyrs, BP 166, 38042 Grenoble cedex 9 (France); Bourguignon, Jacques [Laboratoire de Physiologie Cellulaire Vegetale, UMR 5168 CEA/CNRS/INRA/UJF, DRDC, CEA-Grenoble, 17 Avenue des Martyrs, 38054 Grenoble cedex 9 (France)

    2006-12-15

    Cadmium (Cd) is a metal of high toxicity for plants. Resolving its distribution and speciation in plants is essential for understanding the mechanisms involved in Cd tolerance, trafficking and accumulation. The model plant Arabidopsis thaliana was exposed to cadmium under controlled conditions. Elemental distributions in the roots and in the leaves were determined using scanning electron microscopy coupled with energy dispersive X-ray microanalysis (SEM-EDX), and synchrotron-based micro X-ray fluorescence ({mu}-XRF), which offers a better sensitivity. The chemical form(s) of cadmium was investigated using Cd L{sub III}-edge (3538 eV) micro X-ray absorption near edge structure ({mu}-XANES) spectroscopy. Plant {mu}-XANES spectra were fitted by linear combination of Cd reference spectra. Biological sample preparation and conditioning is a critical point because of possible artifacts. In this work we compared freeze-dried samples analyzed at ambient temperature and frozen hydrated samples analyzed at -170 deg. C. Our results suggest that in the roots Cd is localized in vascular bundles, and coordinated to S ligands. In the leaves, trichomes (epidermal hairs) represent the main compartment of Cd accumulation. In these specialized cells, {mu}-XANES results show that the majority of Cd is bound to O/N ligands likely provided by the cell wall, and a minor fraction could be bound to S-containing ligands. No significant difference in Cd speciation was observed between freeze-dried and frozen hydrated samples. This work illustrates the interest and the sensitivity of Cd L{sub III}-edge XANES spectroscopy, which is applied here for the first time to plant samples. Combining {mu}-XRF and Cd L{sub III}-edge {mu}-XANES spectroscopy offers promising tools to study Cd storage and trafficking mechanisms in plants and other biological samples.

  7. TG-FTIR analysis of biomass pyrolysis

    Energy Technology Data Exchange (ETDEWEB)

    Bassilakis, R.; Carangelo, R.M.; Wojtowicz, M.A. [Advanced Fuel Research Inc., Hartford, CT (United States)

    2001-10-09

    A great need exists for comprehensive biomass-pyrolysis models that could predict yields and evolution patterns of selected volatile products as a function of feedstock characteristics and process conditions. A thermogravimetric analyzer coupled with Fourier transform infrared analysis of evolving products (TG-FTIR) can provide useful input to such models in the form of kinetic information obtained under low heating rate conditions. In this work, robust TG-FTIR quantification routes were developed for infrared analysis of volatile products relevant to biomass pyrolysis. The analysis was applied to wheat straw, three types of tobacco (Burley, Oriental, and Bright) and three biomass model compounds (xylan, chlorogenic acid, and D-glucose). Product yields were compared with literature data, and species potentially quantifiable by FT-IR are reviewed. Product-evolution patterns are reported for all seven biomass samples. 41 refs., 7 figs., 2 tabs.

  8. Respiratory motion management using audio-visual biofeedback for respiratory-gated radiotherapy of synchrotron-based pulsed heavy-ion beam delivery

    International Nuclear Information System (INIS)

    He, Pengbo; Ma, Yuanyuan; Huang, Qiyan; Yan, Yuanlin; Li, Qiang; Liu, Xinguo; Dai, Zhongying; Zhao, Ting; Fu, Tingyan; Shen, Guosheng

    2014-01-01

    Purpose: To efficiently deliver respiratory-gated radiation during synchrotron-based pulsed heavy-ion radiotherapy, a novel respiratory guidance method combining a personalized audio-visual biofeedback (BFB) system, breath hold (BH), and synchrotron-based gating was designed to help patients synchronize their respiratory patterns with synchrotron pulses and to overcome typical limitations such as low efficiency, residual motion, and discomfort. Methods: In-house software was developed to acquire body surface marker positions and display BFB, gating signals, and real-time beam profiles on a LED screen. Patients were prompted to perform short BHs or short deep breath holds (SDBH) with the aid of BFB following a personalized standard BH/SDBH (stBH/stSDBH) guiding curve or their own representative BH/SDBH (reBH/reSDBH) guiding curve. A practical simulation was performed for a group of 15 volunteers to evaluate the feasibility and effectiveness of this method. Effective dose rates (EDRs), mean absolute errors between the guiding curves and the measured curves, and mean absolute deviations of the measured curves were obtained within 10%–50% duty cycles (DCs) that were synchronized with the synchrotron’s flat-top phase. Results: All maneuvers for an individual volunteer took approximately half an hour, and no one experienced discomfort during the maneuvers. Using the respiratory guidance methods, the magnitude of residual motion was almost ten times less than during nongated irradiation, and increases in the average effective dose rate by factors of 2.39–4.65, 2.39–4.59, 1.73–3.50, and 1.73–3.55 for the stBH, reBH, stSDBH, and reSDBH guiding maneuvers, respectively, were observed in contrast with conventional free breathing-based gated irradiation, depending on the respiratory-gated duty cycle settings. Conclusions: The proposed respiratory guidance method with personalized BFB was confirmed to be feasible in a group of volunteers. Increased effective dose

  9. Respiratory motion management using audio-visual biofeedback for respiratory-gated radiotherapy of synchrotron-based pulsed heavy-ion beam delivery

    Energy Technology Data Exchange (ETDEWEB)

    He, Pengbo; Ma, Yuanyuan; Huang, Qiyan; Yan, Yuanlin [Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); Key Laboratory of Heavy Ion Radiation Biology and Medicine of Chinese Academy of Sciences, Lanzhou 730000 (China); School of Life Sciences, University of Chinese Academy of Sciences, Beijing 100049 (China); Li, Qiang, E-mail: liqiang@impcas.ac.cn; Liu, Xinguo; Dai, Zhongying; Zhao, Ting; Fu, Tingyan; Shen, Guosheng [Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); Key Laboratory of Heavy Ion Radiation Biology and Medicine of Chinese Academy of Sciences, Lanzhou 730000 (China)

    2014-11-01

    Purpose: To efficiently deliver respiratory-gated radiation during synchrotron-based pulsed heavy-ion radiotherapy, a novel respiratory guidance method combining a personalized audio-visual biofeedback (BFB) system, breath hold (BH), and synchrotron-based gating was designed to help patients synchronize their respiratory patterns with synchrotron pulses and to overcome typical limitations such as low efficiency, residual motion, and discomfort. Methods: In-house software was developed to acquire body surface marker positions and display BFB, gating signals, and real-time beam profiles on a LED screen. Patients were prompted to perform short BHs or short deep breath holds (SDBH) with the aid of BFB following a personalized standard BH/SDBH (stBH/stSDBH) guiding curve or their own representative BH/SDBH (reBH/reSDBH) guiding curve. A practical simulation was performed for a group of 15 volunteers to evaluate the feasibility and effectiveness of this method. Effective dose rates (EDRs), mean absolute errors between the guiding curves and the measured curves, and mean absolute deviations of the measured curves were obtained within 10%–50% duty cycles (DCs) that were synchronized with the synchrotron’s flat-top phase. Results: All maneuvers for an individual volunteer took approximately half an hour, and no one experienced discomfort during the maneuvers. Using the respiratory guidance methods, the magnitude of residual motion was almost ten times less than during nongated irradiation, and increases in the average effective dose rate by factors of 2.39–4.65, 2.39–4.59, 1.73–3.50, and 1.73–3.55 for the stBH, reBH, stSDBH, and reSDBH guiding maneuvers, respectively, were observed in contrast with conventional free breathing-based gated irradiation, depending on the respiratory-gated duty cycle settings. Conclusions: The proposed respiratory guidance method with personalized BFB was confirmed to be feasible in a group of volunteers. Increased effective dose

  10. Biochemical applications of FT-IR spectroscopy

    NARCIS (Netherlands)

    Pistorius, A.M.A.

    1996-01-01

    This thesis describes the use of (FT-)IR spectroscopy in general biochemical research. In chapter 3, IR spectroscopy is used in the quantitation of residual detergent after reconstitution of an integral membrane protein in a pre-defined lipid matrix. This chapter discusses the choice of the

  11. Quantitative gas analysis with FT-IR

    DEFF Research Database (Denmark)

    Bak, J.; Larsen, A.

    1995-01-01

    Calibration spectra of CO in the 2.38-5100 ppm concentration range (22 spectra) have been measured with a spectral resolution of 4 cm(-1), in the mid-IR (2186-2001 cm(-1)) region, with a Fourier transform infrared (FT-IR) instrument. The multivariate calibration method partial least-squares (PLS1...

  12. Analyzing FTIR spectra using high sensitivity compare function of FTIR software for 2-pack epoxy paints

    Science.gov (United States)

    Saaid, Farish Irfal; Chan, Chin Han; Ong, Max Chong Hup; Winie, Tan; Harun, Mohamad Kamal

    2015-08-01

    The existing problem of oil and gas companies faced for on-site jobs of polymeric coatings on steel pipelines is that the quality of polymeric coatings varies from job to job for the same product brand from the same supplier or paint manufacturer. This can be due to the inherent problem of the reformulation of polymeric coatings or in other words adulterated polymeric coatings are supplied, where the quality of the coatings deviates from the submitted specifications for prequalification and tender purpose. Major oil and gas companies in Malaysia are calling for Coating Fingerprinting Certificate for the supply of polymeric coatings from local paint manufactures as quality assurance requirement of the coatings supplied. This will reduce the possibility of failures of the polymeric coatings, which lead to the corrosion of steel pipelines resulting in leakage of crude oil and gas to the environment. In this case, Fourier-transform infrared (FTIR) is a simple and reliable tool for coating fingerprinting. In this study, we conclude that, revelation of possible components of the 2-pack epoxy paints by carrying out extensive FTIR libraries search on FTIR spectra seems to be extremely challenging. Estimation of correlation of the sample spectrum to that of the reference spectrum using Compare function from one FTIR manufacturer, even the FTIR spectra are collected by different FTIR spectrometers from different FTIR manufacturers, can be made. The results of the correlation are reproducible.

  13. The epitaxial growth and interfacial strain study of VO{sub 2}/MgF{sub 2} (001) films by synchrotron based grazing incidence X-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Fan, L.L. [Key Laboratory for Advanced Technology in Environmental Protection of Jiangsu Province, Yancheng Institute of Technology, Yancheng 224051 (China); National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029 (China); Chen, S. [National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029 (China); Liu, Q.H. [Science and Technology on Electro-optical Information Security Control Laboratory, Tianjin 300300 (China); Liao, G.M.; Chen, Y.L.; Ren, H. [National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029 (China); Zou, C.W., E-mail: czou@ustc.edu.cn [National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029 (China)

    2016-09-05

    High quality VO{sub 2} films with different thickness were epitaxially grown on MgF{sub 2} (001) substrates by oxide molecular beam epitaxy method. The evolution of interfacial strain was investigated by synchrotron based grazing incidence X-ray diffraction. By adjusting the incidence angles, the penetration depth of X-ray in VO{sub 2} film could be controlled and the thickness-depend lattice distortion in the epitaxial VO{sub 2} film was investigated. Due to the lattice mismatching, the pronounced tensile strain was observed in ultra-thin VO{sub 2} film. As the film thickness increasing, the interfacial strain relaxed gradually and became fully relaxed for thick VO{sub 2} films. Combined with the electric transport measurement, it was revealed that the phase transition temperature of ultra-thin VO{sub 2} film decreased greatly. The effect of interfacial strain induced phase transition modulation and the intrinsic mechanism was systematically discussed. - Highlights: • We prepared high quality VO{sub 2} epitaxial films on MgF{sub 2} (001) substrates by oxide molecular beam epitaxy method. • Synchrotron radiation grazing incidence X-ray diffraction was employed to detect evolution of strain along depth profile. • Based on a classic band structure model, the mechanism of strain controlled phase transition of VO{sub 2} was discussed.

  14. A structural study of bone changes in knee osteoarthritis by synchrotron-based X-ray fluorescence and X-ray absorption spectroscopy techniques

    Science.gov (United States)

    Sindhupakorn, Bura; Thienpratharn, Suwittaya; Kidkhunthod, Pinit

    2017-10-01

    Osteoarthritis (OA) is characterized by degeneration of articular cartilage and thickening of subchondral bone. The present study investigated the changing of biochemical components of cartilage and bone compared between normal and OA people. Using Synchrotron-based X-ray fluorescence (SR-XRF) and X-ray absorption spectroscopy (XAS) techniquesincluding X-ray absorption near edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) were employed for the bone changes in kneeosteoarthritisstudies. The bone samples were collected from various osteoarthritis patients with both male and female in the ages range between 20 and 74 years old. SR-XRF results excited at 4240 eV for Ca elements show a majority three main groups, based on their XRF intensities, 20-36 years, 40-60 years and over 70 years, respectively. By employing XAS techniques, XANES features can be used to clearly explain in term of electronic transitions occurring in bone samples which are affected from osteoarthritis symptoms. Moreover, a structural change around Ca ions in bone samples is obviously obtained by EXAFS results indicating an increase of Ca-amorphous phase when the ages increase.

  15. The Scope Of Fourier Transform Infrared (FTIR)

    Science.gov (United States)

    Hirschfeld, T.

    1981-10-01

    Three auarters of a century after its inception, a generation after its advantages were recognized, and a decade after its first commercialization, FT-IR dominates the growth of the IR market, and reigns alone over its high performance end. What lies ahead for FT-IR now? On one hand, the boundary between it and the classical scanning spectrometers is becoming fuzzy, as gratings attempt to use as much of FT-IR's computer technology as they can handle, and smaller FT systems invade the medium cost instrument range. On the other hand, technology advances in IR detectors, non-Fourier interference devices, and the often announced tunable laser are at long last getting set to make serious inroads in the field (although not necessarily in the manner most of us expected). However, the dominance of FT-IR as the leading edge of IR spectroscopy seems assured for a good many years. The evolution of FT-IR will be dominated by demands not yet fully satisfied such as rapid sample turnover, better quantitation, automated interpretation, higher GC-IR sensitivity, improved LC-IR, and, above all else, reliability and ease of use. These developments will be based on multiple small advances in hardware, large advances in the way systems are put together, and the traditional yearly revolutionary advances of the computer industry. The big question in the field will, however, still be whether our ambition and our skill can continue to keep up with the advances of our tools. It will be fun.

  16. Study of melanoma invasion by FTIR spectroscopy

    Science.gov (United States)

    Yang, Y.; Sulé-Suso, J.; Sockalingum, G. D.

    2008-02-01

    Compared to other forms of skin cancer, a malignant melanoma has a high risk of spreading to other parts of the body. Melanoma invasion is a complex process involving changes in cell-extracellular matrix (ECM) interaction and cell-cell interactions. To fully understand the factors which control the invasion process, a human skin model system was reconstructed. HBL (a commercially available cell line) melanoma cells were seeded on a skin model with and without the presence of keratinocytes and/or fibroblasts. After 14 days culture, the skin specimens were fixed, parafin embedded and cut into 7 µm sections. The de-parafinised sections were investigated by synchrotron Fourier transformed infrared (FTIR) microspectroscopy to study skin cell invasion behaviour. The advantage of using FTIR is its ability to obtain the fingerprint information of the invading cells in terms of protein secondary structure in comparison to non-invading cells and the concentration of the enzyme (matrix-metalloproteinase) which digests protein matrix, near the invading cells. With aid of the spectral mapping images, it is possible to pinpoint the cells in non-invasion and invasion area and analyse the respective spectra. It has been observed that the protein bands in cells and matrix shifted between non-invasive and invasive cells in the reconstructed skin model. We hypothesise that by careful analysis of the FTIR data and validation by other models, FTIR studies can reveal information on which type of cells and proteins are involved in melanoma invasion. Thus, it is possible to trace the cell invasion path by mapping the spectra along the interface of cell layer and matrix body by FTIR spectroscopy.

  17. Effectiveness of respiratory-gated radiotherapy with audio-visual biofeedback for synchrotron-based scanned heavy-ion beam delivery

    Science.gov (United States)

    He, Pengbo; Li, Qiang; Zhao, Ting; Liu, Xinguo; Dai, Zhongying; Ma, Yuanyuan

    2016-12-01

    A synchrotron-based heavy-ion accelerator operates in pulse mode at a low repetition rate that is comparable to a patient’s breathing rate. To overcome inefficiencies and interplay effects between the residual motion of the target and the scanned heavy-ion beam delivery process for conventional free breathing (FB)-based gating therapy, a novel respiratory guidance method was developed to help patients synchronize their breathing patterns with the synchrotron excitation patterns by performing short breath holds with the aid of personalized audio-visual biofeedback (BFB) system. The purpose of this study was to evaluate the treatment precision, efficiency and reproducibility of the respiratory guidance method in scanned heavy-ion beam delivery mode. Using 96 breathing traces from eight healthy volunteers who were asked to breathe freely and guided to perform short breath holds with the aid of BFB, a series of dedicated four-dimensional dose calculations (4DDC) were performed on a geometric model which was developed assuming a linear relationship between external surrogate and internal tumor motions. The outcome of the 4DDCs was quantified in terms of the treatment time, dose-volume histograms (DVH) and dose homogeneity index. Our results show that with the respiratory guidance method the treatment efficiency increased by a factor of 2.23-3.94 compared with FB gating, depending on the duty cycle settings. The magnitude of dose inhomogeneity for the respiratory guidance methods was 7.5 times less than that of the non-gated irradiation, and good reproducibility of breathing guidance among different fractions was achieved. Thus, our study indicates that the respiratory guidance method not only improved the overall treatment efficiency of respiratory-gated scanned heavy-ion beam delivery, but also had the advantages of lower dose uncertainty and better reproducibility among fractions.

  18. Visualizing and Quantifying Bioaccessible Pores in Field-Aged Petroleum Hydrocarbon-Contaminated Clay Soils Using Synchrotron-based X-ray Computed Tomography

    Science.gov (United States)

    Chang, W.; Kim, J.; Zhu, N.; McBeth, J. M.

    2015-12-01

    Microbial hydrocarbon degradation is environmentally significant and applicable to contaminated site remediation practices only when hydrocarbons (substrates) are physically bioaccessible to bacteria in soil matrices. Powerful X-rays are produced by synchrotron radiation, allowing for bioaccessible pores in soil (larger than 4 microns), where bacteria can be accommodated, colonize and remain active, can be visualized at a much higher resolution. This study visualized and quantified such bioaccessible pores in intact field-aged, oil-contaminated unsaturated soil fractions, and examined the relationship between the abundance of bioaccessible pores and hydrocarbon biodegradation. Using synchrotron-based X-ray Computed Tomography (CT) at the Canadian Light Source, a large dataset of soil particle characteristics, such as pore volumes, surface areas, number of pores and pore size distribution, was generated. Duplicate samples of five different soil fractions with different soil aggregate sizes and water contents (13, 18 and 25%) were examined. The method for calculating the number and distribution of bioaccessible pores using CT images was validated using the known porosity of Ottawa sand. This study indicated that the distribution of bioaccessible pore sizes in soil fractions are very closely related to microbial enhancement. A follow-up aerobic biodegradation experiment for the soils at 17 °C (average site temperature) over 90 days confirmed that a notable decrease in hydrocarbon concentrations occurred in soils fractions with abundant bioaccessible pores and with a larger number of pores between 10 and 100 μm. The hydrocarbon degradation in bioactive soil fractions was extended to relatively high-molecular-weight hydrocarbons (C16-C34). This study provides quantitative information about how internal soil pore characteristics can influence bioremediation performance.

  19. Synchrotron-based X-Ray Spectroscopy Studies for Redox-based Remediation of Lead, Zinc, and Cadmium in Mine Waste Materials.

    Science.gov (United States)

    Karna, Ranju R; Hettiarachchi, Ganga M; Newville, Matthew; Sun, ChengJun; Ma, Qing

    2016-11-01

    Several studies have examined the effect of submergence on the mobility of metals present in mine waste materials. This study examines the effect of organic carbon (OC) and sulfur (S) additions and submergence time on redox-induced biogeochemical transformations of lead (Pb), zinc (Zn), and cadmium (Cd) present in mine waste materials collected from the Tri-State mining district located in southeastern Kansas, southwestern Missouri, and northeastern Oklahoma. A completely randomized design, with a two-way treatment structure, was used for conducting a series of column experiments. Two replicates were used for each treatment combination. Effluent samples were collected at several time points, and soil samples were collected at the end of each column experiment. Because these samples are highly heterogeneous, we used a variety of synchrotron-based techniques to identify Pb, Zn, and Cd speciation at both micro- and bulk-scale. Spectroscopic analysis results from the study revealed that the addition of OC, with and without S, promoted metal-sulfide formation, whereas metal carbonates dominated in the nonamended flooded materials and in mine waste materials only amended with S. Therefore, the synergistic effect of OC and S may be more promising for managing mine waste materials disposed of in flooded subsidence mine pits instead of individual S or OC treatments. The mechanistic understanding gained in this study is also relevant for remediation of waste materials using natural or constructed wetland systems. Copyright © by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America, Inc.

  20. Wavefront propagation simulations for a UV/soft x-ray beamline: Electron Spectro-Microscopy beamline at NSLS-II

    Science.gov (United States)

    Canestrari, N.; Bisogni, V.; Walter, A.; Zhu, Y.; Dvorak, J.; Vescovo, E.; Chubar, O.

    2014-09-01

    A "source-to-sample" wavefront propagation analysis of the Electron Spectro-Microscopy (ESM) UV / soft X-ray beamline, which is under construction at the National Synchrotron Light Source II (NSLS-II) in the Brookhaven National Laboratory, has been conducted. All elements of the beamline - insertion device, mirrors, variable-line-spacing gratings and slits - are included in the simulations. Radiation intensity distributions at the sample position are displayed for representative photon energies in the UV range (20 - 100 eV) where diffraction effects are strong. The finite acceptance of the refocusing mirrors is the dominating factor limiting the spatial resolution at the sample (by ~3 μm at 20 eV). Absolute estimates of the radiation flux and energy resolution at the sample are also obtained from the electromagnetic calculations. The analysis of the propagated UV range undulator radiation at different deflection parameter values demonstrates that within the beamline angular acceptance a slightly "red-shifted" radiation provides higher flux at the sample and better energy resolution compared to the on-axis resonant radiation of the fundamental harmonic.

  1. Size-dependent redox behavior of iron observed by in-situ single nanoparticle spectro-microscopy on well-defined model systems.

    Science.gov (United States)

    Karim, Waiz; Kleibert, Armin; Hartfelder, Urs; Balan, Ana; Gobrecht, Jens; van Bokhoven, Jeroen A; Ekinci, Yasin

    2016-01-06

    Understanding the chemistry of nanoparticles is crucial in many applications. Their synthesis in a controlled manner and their characterization at the single particle level is essential to gain deeper insight into chemical mechanisms. In this work, single nanoparticle spectro-microscopy with top-down nanofabrication is demonstrated to study individual iron nanoparticles of nine different lateral dimensions from 80 nm down to 6 nm. The particles are probed simultaneously, under same conditions, during in-situ redox reaction using X-ray photoemission electron microscopy elucidating the size effect during the early stage of oxidation, yielding time-dependent evolution of iron oxides and the mechanism for the inter-conversion of oxides in nanoparticles. Fabrication of well-defined system followed by visualization and investigation of singled-out particles eliminates the ambiguities emerging from dispersed nanoparticles and reveals a significant increase in the initial rate of oxidation with decreasing size, but the reactivity per active site basis and the intrinsic chemical properties in the particles remain the same in the scale of interest. This advance of nanopatterning together with spatially-resolved single nanoparticle X-ray absorption spectroscopy will guide future discourse in understanding the impact of confinement of metal nanoparticles and pave way to solve fundamental questions in material science, chemical physics, magnetism, nanomedicine and nanocatalysis.

  2. Size-dependent redox behavior of iron observed by in-situ single nanoparticle spectro-microscopy on well-defined model systems

    Science.gov (United States)

    Karim, Waiz; Kleibert, Armin; Hartfelder, Urs; Balan, Ana; Gobrecht, Jens; van Bokhoven, Jeroen A.; Ekinci, Yasin

    2016-01-01

    Understanding the chemistry of nanoparticles is crucial in many applications. Their synthesis in a controlled manner and their characterization at the single particle level is essential to gain deeper insight into chemical mechanisms. In this work, single nanoparticle spectro-microscopy with top-down nanofabrication is demonstrated to study individual iron nanoparticles of nine different lateral dimensions from 80 nm down to 6 nm. The particles are probed simultaneously, under same conditions, during in-situ redox reaction using X-ray photoemission electron microscopy elucidating the size effect during the early stage of oxidation, yielding time-dependent evolution of iron oxides and the mechanism for the inter-conversion of oxides in nanoparticles. Fabrication of well-defined system followed by visualization and investigation of singled-out particles eliminates the ambiguities emerging from dispersed nanoparticles and reveals a significant increase in the initial rate of oxidation with decreasing size, but the reactivity per active site basis and the intrinsic chemical properties in the particles remain the same in the scale of interest. This advance of nanopatterning together with spatially-resolved single nanoparticle X-ray absorption spectroscopy will guide future discourse in understanding the impact of confinement of metal nanoparticles and pave way to solve fundamental questions in material science, chemical physics, magnetism, nanomedicine and nanocatalysis.

  3. The Use of FTIR and Micro-FTIR Spectroscopy: An Example of Application to Cultural Heritage

    Directory of Open Access Journals (Sweden)

    Mauro Francesco La Russa

    2009-01-01

    The main components found in the samples of both monuments are: gypsum, calcium oxalate, and organic matter due to probably conservation treatments. In particular, the qualitative distribution maps of degradation products, obtained by means of micro-FTIR operating in ATR mode, revealed that the degradation process is present deep inside the stones also if it is not visible macroscopically. This process represents the main cause of crumbling of the substrate. The results of this research highlight the benefits of the -FTIR analysis providing useful insights on the polishing and consolidation processes of stone materials.

  4. Analysis of human gallstones by FTIR

    International Nuclear Information System (INIS)

    Channa, Naseem A.; Khand, Fateh D.

    2008-01-01

    The present study was aimed at determining the composition of gallstones removed from patients in Southern Sindh, Pakistan. 109 gallstone samples surgically removed from as many patients (98 females and 11 males; age range 20 to 80 years) admitted for treatment in Liaquat University hospital, Jamshsoro during 2000 to 2003, were analyzed for composition by Fourier Transform Infrared (FTIR) spectroscopy. 74 (67.9%) of the 109 gallstone samples were found to be pure cholesterol stones, 5 (4.6%) pure calcium carbonate stones, 13 (11.9%) cholesterol + calcium carbonate, 10 (9.2%) cholesterol + bilirubin and 07 (6.4%) calcium bilirubinate stones. In mixed composition gallstones cholesterol was concentrated more at periphery than in the center of stone. Cholesterol either singly (67.9%) or in combination with either calcium carbonate (11.9%) or bilirubin (9.2%) was the most predominant component of gallstones. Analysis of gallstones based on FTIR suggests that cholesterol either singly or in combination with either calcium carbonate or bilirubin is the most predominant component of gallstones from Southern Sindh, Pakistan. (author)

  5. The Use of FTIR and Micro-FTIR Spectroscopy: An Example of Application to Cultural Heritage

    International Nuclear Information System (INIS)

    La Russa, M.F.; Ruffolo, S.A.; Crisci, G.M.; Barone, G.; Mazzoleni, P.; Pezzino, A.

    2011-01-01

    Micro-FTIR and FTIR spectroscopy is useful for the study of degradation forms of cultural heritage. In particular it permits to identify the degradation phases and to establish the structural relationship between them and the substratum. In this paper, we report the results obtained on marble from a Roman sarcophagus, located in the medieval cloister of St. Cosimato Convent (Rome), and on oolitic limestone from the facade of St. Giuseppe Church in Syracuse (Sicily). The main components found in the samples of both monuments are: gypsum, calcium oxalate, and organic matter due to probably conservation treatments. In particular, the qualitative distribution maps of degradation products, obtained by means of micro-FTIR operating in ATR mode, revealed that the degradation process is present deep inside the stones also if it is not visible macroscopically. This process represents the main cause of crumbling of the substrate. The results of this research highlight the benefits of the μ-FTIR analysis providing useful insights on the polishing and consolidation processes of stone materials

  6. Comparison of two methods for minimizing the effect of delayed charge on the dose delivered with a synchrotron based discrete spot scanning proton beam.

    Science.gov (United States)

    Whitaker, Thomas J; Beltran, Chris; Tryggestad, Erik; Bues, Martin; Kruse, Jon J; Remmes, Nicholas B; Tasson, Alexandria; Herman, Michael G

    2014-08-01

    Delayed charge is a small amount of charge that is delivered to the patient after the planned irradiation is halted, which may degrade the quality of the treatment by delivering unwarranted dose to the patient. This study compares two methods for minimizing the effect of delayed charge on the dose delivered with a synchrotron based discrete spot scanning proton beam. The delivery of several treatment plans was simulated by applying a normally distributed value of delayed charge, with a mean of 0.001(SD 0.00025) MU, to each spot. Two correction methods were used to account for the delayed charge. Method one (CM1), which is in active clinical use, accounts for the delayed charge by adjusting the MU of the current spot based on the cumulative MU. Method two (CM2) in addition reduces the planned MU by a predicted value. Every fraction of a treatment was simulated using each method and then recomputed in the treatment planning system. The dose difference between the original plan and the sum of the simulated fractions was evaluated. Both methods were tested in a water phantom with a single beam and simple target geometry. Two separate phantom tests were performed. In one test the dose per fraction was varied from 0.5 to 2 Gy using 25 fractions per plan. In the other test the number fractions were varied from 1 to 25, using 2 Gy per fraction. Three patient plans were used to determine the effect of delayed charge on the delivered dose under realistic clinical conditions. The order of spot delivery using CM1 was investigated by randomly selecting the starting spot for each layer, and by alternating per layer the starting spot from first to last. Only discrete spot scanning was considered in this study. Using the phantom setup and varying the dose per fraction, the maximum dose difference for each plan of 25 fractions was 0.37-0.39 Gy and 0.03-0.05 Gy for CM1 and CM2, respectively. While varying the total number of fractions, the maximum dose difference increased at a rate

  7. Comparison of two methods for minimizing the effect of delayed charge on the dose delivered with a synchrotron based discrete spot scanning proton beam

    International Nuclear Information System (INIS)

    Whitaker, Thomas J.; Beltran, Chris; Tryggestad, Erik; Kruse, Jon J.; Remmes, Nicholas B.; Tasson, Alexandria; Herman, Michael G.; Bues, Martin

    2014-01-01

    Purpose: Delayed charge is a small amount of charge that is delivered to the patient after the planned irradiation is halted, which may degrade the quality of the treatment by delivering unwarranted dose to the patient. This study compares two methods for minimizing the effect of delayed charge on the dose delivered with a synchrotron based discrete spot scanning proton beam. Methods: The delivery of several treatment plans was simulated by applying a normally distributed value of delayed charge, with a mean of 0.001(SD 0.00025) MU, to each spot. Two correction methods were used to account for the delayed charge. Method one (CM1), which is in active clinical use, accounts for the delayed charge by adjusting the MU of the current spot based on the cumulative MU. Method two (CM2) in addition reduces the planned MU by a predicted value. Every fraction of a treatment was simulated using each method and then recomputed in the treatment planning system. The dose difference between the original plan and the sum of the simulated fractions was evaluated. Both methods were tested in a water phantom with a single beam and simple target geometry. Two separate phantom tests were performed. In one test the dose per fraction was varied from 0.5 to 2 Gy using 25 fractions per plan. In the other test the number fractions were varied from 1 to 25, using 2 Gy per fraction. Three patient plans were used to determine the effect of delayed charge on the delivered dose under realistic clinical conditions. The order of spot delivery using CM1 was investigated by randomly selecting the starting spot for each layer, and by alternating per layer the starting spot from first to last. Only discrete spot scanning was considered in this study. Results: Using the phantom setup and varying the dose per fraction, the maximum dose difference for each plan of 25 fractions was 0.37–0.39 Gy and 0.03–0.05 Gy for CM1 and CM2, respectively. While varying the total number of fractions, the maximum dose

  8. Deep Recycling of Sedimentary Lithologies in Subduction Zones: Geochemical and Physical Constraints from Phase Equilibria and Synchrotron-Based Multi-Anvil Experiments at 15-25 GPa

    Science.gov (United States)

    Rapp, R. P.; Nishiyama, N.; Irifune, T.; Inoue, T.; Yamasaki, D.

    2003-12-01

    subduction. In-situ synchrotron-based multi-anvil experiments were performed on synthetic, pure K-hollandite at pressures up to 25 GPa to determine the equation of state parameters of this phase into the lower mantle. From these experiments, we derive the bulk modulus at room temperature for K-hollandite, K0 = 183(2) GPa, and coefficient of thermal expansion, a20.5 = 2.18(3) x 10-5K-1. Although the overall buoyancy of deeply subducted metasedimentary lithologies will be determined by the modal proportions of high-pressure phases, the calculated density of K-hollandite under lower mantle conditions is less than that of Mg- or Ca-perovskite, and approximately equal to that of magnesiowustite.

  9. Synchrotron-based P K-edge XANES spectroscopy reveals rapid changes of phosphorus speciation in the topsoil of two glacier foreland chronosequences

    Science.gov (United States)

    Prietzel, Jörg; Dümig, Alexander; Wu, Yanhong; Zhou, Jun; Klysubun, Wantana

    2013-05-01

    Phosphorus (P) is a crucial element for life on Earth, and the bioavailability of P in terrestrial ecosystems, which is dependent on the soil P stock and its speciation, may limit ecosystem productivity and succession. In our study, for the first time a direct speciation of soil P in two glacier foreland chronosequences has been conducted using synchrotron-based X-ray Absorption Near-Edge Structure (XANES) spectroscopy. The chronosequences are located in the forefields of Hailuogou Glacier (Gongga Shan, China) and Damma Glacier (Swiss Alps). The age since deglaciation of the investigated soils ranges from 0 to 120 years at Hailuogou, and from 15 to >700 years at Damma. Differences in climate conditions (cooler at Damma, in contrast to Hailuogou precluding the establishment of forest in advanced ecosystem succession stages) and in the chemical composition of the parent material result in different soil contents of total P and Fe/Al oxyhydroxides, which are much smaller at Damma than at Hailuogou. Nevertheless, both chronosequences show similar trends of their topsoil P status with increasing soil age. Our study reveals a rapid change of topsoil P speciation in glacier retreat areas already during initial stages of pedogenesis: Initially dominating bedrock-derived apatite-P and Al-bound P is depleted; Fe-bound P and particularly organically-bound P is accumulated. Organic P strongly dominates in the topsoil of the mature soils outside the proglacial area of Damma Glacier (age 700-3000 years), and already 50 years after deglacation in the topsoil of the retreat area of Hailuogou Glacier. A key factor for the change in topsoil P speciation is the establishment of vegetation, resulting in soil organic matter (SOM) accumulation as well as accelerated soil acidification and apatite dissolution by organic acids, which are produced by SOM-degrading micro-organisms, mykorrhiza fungi, and plant roots. Particularly the succession of grassland to forest seems to accelerate the

  10. Evaluation of polybutadiene rubbers using FTIR spectra

    Energy Technology Data Exchange (ETDEWEB)

    Oliveira, L.N.; Schimidt, F., E-mail: lucas@ifg.edu.br [Instituto Federal de Educacao, Ciencia e Tecnologia de Goias (IFG), Goiania, GO (Brazil); Antonio, P.L.; Caldas, L.V.E. [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil); Vieira, S.L. [Universidade Federal de Goias (UFG), Goiania, GO (Brazil). Instituto de Fisica

    2017-09-01

    Radiation dosimetry for medical and industrial purposes has increasingly evolved over the last few decades with the introduction of various new detectors. Depending on the properties exhibited for radiation dosimetry, some detectors present their applications in a specific area. From a physics point of view, an ideal dosimeter should be able to measure absorbed dose. In this work, synthetic materials based on polybutadiene rubbers (PBR) were proposed as a new class of radiation detectors. The influence of radiation dose on their properties has been investigated for application in radiation dosimetry. The rubber samples were exposed to absorbed doses from 10 Gy up to 250 Gy, using a {sup 60}Co Gamma Cell-220 system. Their responses were carried out with a Fourier Transform Infrared (FTIR) Spectrometer to investigate the presence of absorbance peaks. The results suggested the existence of a relationship between the absorbed doses and the absorbance peaks associated with stretching (1300-1200 cm{sup -1}), deformation (1450-1340 cm{sup -1}) and vibration (1500-1400 cm{sup -1}) processes in the material. (author)

  11. Evaluation of polybutadiene rubbers using FTIR spectra

    International Nuclear Information System (INIS)

    Oliveira, L.N.; Schimidt, F.; Antonio, P.L.; Caldas, L.V.E.; Vieira, S.L.

    2017-01-01

    Radiation dosimetry for medical and industrial purposes has increasingly evolved over the last few decades with the introduction of various new detectors. Depending on the properties exhibited for radiation dosimetry, some detectors present their applications in a specific area. From a physics point of view, an ideal dosimeter should be able to measure absorbed dose. In this work, synthetic materials based on polybutadiene rubbers (PBR) were proposed as a new class of radiation detectors. The influence of radiation dose on their properties has been investigated for application in radiation dosimetry. The rubber samples were exposed to absorbed doses from 10 Gy up to 250 Gy, using a "6"0Co Gamma Cell-220 system. Their responses were carried out with a Fourier Transform Infrared (FTIR) Spectrometer to investigate the presence of absorbance peaks. The results suggested the existence of a relationship between the absorbed doses and the absorbance peaks associated with stretching (1300-1200 cm"-"1), deformation (1450-1340 cm"-"1) and vibration (1500-1400 cm"-"1) processes in the material. (author)

  12. Gas monitoring onboard ISS using FTIR spectroscopy

    Science.gov (United States)

    Gisi, Michael; Stettner, Armin; Seurig, Roland; Honne, Atle; Witt, Johannes; Rebeyre, Pierre

    2017-06-01

    In the confined, enclosed environment of a spacecraft, the air quality must be monitored continuously in order to safeguard the crew's health. For this reason, OHB builds the ANITA2 (Analysing Interferometer for Ambient Air) technology demonstrator for trace gas monitoring onboard the International Space Station (ISS). The measurement principle of ANITA2 is based on the Fourier Transform Infrared (FTIR) technology with dedicated gas analysis software from the Norwegian partner SINTEF. This combination proved to provide high sensitivity, accuracy and precision for parallel measurements of 33 trace gases simultaneously onboard ISS by the precursor instrument ANITA1. The paper gives a technical overview about the opto-mechanical components of ANITA2, such as the interferometer, the reference Laser, the infrared source and the gas cell design and a quick overview about the gas analysis. ANITA2 is very well suited for measuring gas concentrations specifically but not limited to usage onboard spacecraft, as no consumables are required and measurements are performed autonomously. ANITA2 is a programme under the contract of the European Space Agency, and the air quality monitoring system is a stepping stone into the future, as a precursor system for manned exploration missions.

  13. Ultra-compact MEMS FTIR spectrometer

    Science.gov (United States)

    Sabry, Yasser M.; Hassan, Khaled; Anwar, Momen; Alharon, Mohamed H.; Medhat, Mostafa; Adib, George A.; Dumont, Rich; Saadany, Bassam; Khalil, Diaa

    2017-05-01

    Portable and handheld spectrometers are being developed and commercialized in the late few years leveraging the rapidly-progressing technology and triggering new markets in the field of on-site spectroscopic analysis. Although handheld devices were commercialized for the near-infrared spectroscopy (NIRS), their size and cost stand as an obstacle against the deployment of the spectrometer as spectral sensing components needed for the smart phone industry and the IoT applications. In this work we report a chip-sized microelectromechanical system (MEMS)-based FTIR spectrometer. The core optical engine of the solution is built using a passive-alignment integration technique for a selfaligned MEMS chip; self-aligned microoptics and a single detector in a tiny package sized about 1 cm3. The MEMS chip is a monolithic, high-throughput scanning Michelson interferometer fabricated using deep reactive ion etching technology of silicon-on-insulator substrate. The micro-optical part is used for conditioning the input/output light to/from the MEMS and for further light direction to the detector. Thanks to the all-reflective design of the conditioning microoptics, the performance is free of chromatic aberration. Complemented by the excellent transmission properties of the silicon in the infrared region, the integrated solution allows very wide spectral range of operation. The reported sensor's spectral resolution is about 33 cm-1 and working in the range of 1270 nm to 2700 nm; upper limited by the extended InGaAs detector. The presented solution provides a low cost, low power, tiny size, wide wavelength range NIR spectral sensor that can be manufactured with extremely high volumes. All these features promise the compatibility of this technology with the forthcoming demand of smart portable and IoT devices.

  14. Rapid habitability assessment of Mars samples by pyrolysis-FTIR

    Science.gov (United States)

    Gordon, Peter R.; Sephton, Mark A.

    2016-02-01

    Pyrolysis Fourier transform infrared spectroscopy (pyrolysis FTIR) is a potential sample selection method for Mars Sample Return missions. FTIR spectroscopy can be performed on solid and liquid samples but also on gases following preliminary thermal extraction, pyrolysis or gasification steps. The detection of hydrocarbon and non-hydrocarbon gases can reveal information on sample mineralogy and past habitability of the environment in which the sample was created. The absorption of IR radiation at specific wavenumbers by organic functional groups can indicate the presence and type of any organic matter present. Here we assess the utility of pyrolysis-FTIR to release water, carbon dioxide, sulfur dioxide and organic matter from Mars relevant materials to enable a rapid habitability assessment of target rocks for sample return. For our assessment a range of minerals were analyzed by attenuated total reflectance FTIR. Subsequently, the mineral samples were subjected to single step pyrolysis and multi step pyrolysis and the products characterised by gas phase FTIR. Data from both single step and multi step pyrolysis-FTIR provide the ability to identify minerals that reflect habitable environments through their water and carbon dioxide responses. Multi step pyrolysis-FTIR can be used to gain more detailed information on the sources of the liberated water and carbon dioxide owing to the characteristic decomposition temperatures of different mineral phases. Habitation can be suggested when pyrolysis-FTIR indicates the presence of organic matter within the sample. Pyrolysis-FTIR, therefore, represents an effective method to assess whether Mars Sample Return target rocks represent habitable conditions and potential records of habitation and can play an important role in sample triage operations.

  15. Raman and FTIR spectroscopy of methane in olivine

    Science.gov (United States)

    Smith, A.; Oze, C.; Rossman, G. R.; Celestian, A. J.

    2017-12-01

    Olivine has been proposed to be a direct source of methane (CH4) in serpentinization systems and experiments. Here, Raman and Fourier Transform Infrared (FTIR) spectroscopy were used to verify the presence and abundance of CH4 in olivine samples from nine localities, including the San Carlos olivine. Raman analyses did not identify any methane in the olivine samples. As olivine is orthorhombic, three polarized FTIR spectra were obtained for the olivine samples. No methane was detected in any of the olivine samples using FTIR. Overall, olivine investigated in this study does not appear to be a primary source of methane.

  16. Phase formation and strain relaxation of Ga2O3 on c-plane and a-plane sapphire substrates as studied by synchrotron-based x-ray diffraction

    Science.gov (United States)

    Cheng, Zongzhe; Hanke, Michael; Vogt, Patrick; Bierwagen, Oliver; Trampert, Achim

    2017-10-01

    Heteroepitaxial Ga2O3 was deposited on c-plane and a-plane oriented sapphire by plasma-assisted molecular beam epitaxy and probed by ex-situ and in-situ synchrotron-based x-ray diffraction. The investigation on c-plane sapphire determined a critical thickness of around 33 Å, at which the monoclinic β-phase forms on top of the hexagonal α-phase. A 143 Å thick single phase α-Ga2O3 was observed on a-plane sapphire, much thicker than the α-Ga2O3 on c-plane sapphire. The α-Ga2O3 relaxed very fast in the first 30 Å in both out-of-plane and in-plane directions as measured by the in-situ study.

  17. In situ FTIR assessment of desiccation-tolerant tissues

    NARCIS (Netherlands)

    Wolkers, W.F.; Hoekstra, F.A.

    2003-01-01

    This essay shows how Fourier transform infrared (FTIR) microspectroscopy can be applied to study thermodynamic parameters and conformation of endogenous biomolecules in desiccation-tolerant biological tissues. Desiccation tolerance is the remarkable ability of some organisms to survive complete

  18. A study of Ganoderma lucidum spores by FTIR microspectroscopy

    Science.gov (United States)

    Wang, Xin; Chen, Xianliang; Qi, Zeming; Liu, Xingcun; Li, Weizu; Wang, Shengyi

    2012-06-01

    In order to obtain unique information of Ganoderma lucidum spores, FTIR microspectroscopy was used to study G. lucidum spores from Anhui Province (A), Liaoning Province (B) and Shangdong Province (C) of China. IR micro-spectra were acquired with high-resolution and well-reproducibility. The IR spectra of G. lucidum spores from different areas were similar and mainly made up of the absorption bands of polysaccharide, sterols, proteins, fatty acids, etc. The results of curve fitting indicated the protein secondary structures were dissimilar among the above G. lucidum spores. To identify G. lucidum spores from different areas, the H1078/H1640 value might be a potentially useful factor, furthermore FTIR microspectroscopy could realize this identification efficiently with the help of hierarchical cluster analysis. The result indicates FTIR microspectroscopy is an efficient tool for identification of G. lucidum spores from different areas. The result also suggests FTIR microspectroscopy is a potentially useful tool for the study of TCM.

  19. FT-IR, RAMAN AND DFT STUDIES ON THE VIBRATIONAL ...

    African Journals Online (AJOL)

    Department of Physics, Science Faculty, Anadolu University, Eskişehir, Turkey ... IR spectrum was recorded using Bruker Optics IFS66v/s FTIR spectrometer at a ... spectrum was obtained using a Bruker Senterra Dispersive Raman microscope.

  20. 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

  1. Pigmented Creatine Deposits in Amyotrophic Lateral Sclerosis Central Nervous System Tissues Identified by Synchrotron Fourier Transform Infrared Microspectroscopy and X-ray Fluorescence Spectromicroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Kastyak, M.; Szczerbowska-Boruchowska, M; Adamek, D; Tomik, B; Lankosz, M; Gough, K

    2010-01-01

    Amyotrophic Lateral Sclerosis (ALS) is an untreatable, neurodegenerative disease of motor neurons characterized by progressive muscle atrophy, limb paralysis, dysarthria, dysphagia, dyspnae and finally death. Large motor neurons in ventral horns of spinal cord and motor nuclei in brainstem, large pyramidal neurons of motor cortex and/or large myelinated axons of corticospinal tracts are affected. In recent synchrotron Fourier Transform Infrared microspectroscopy (sFTIR) studies of ALS CNS autopsy tissue, we discovered a small deposit of crystalline creatine, which has a crucial role in energy metabolism. We have now examined unfixed, snap frozen, post-autopsy tissue sections of motor cortex, brain stem, spinal cord, hippocampus and substantia nigra from six ALS and three non-degenerated cases with FTIR and micro-X-ray fluorescence (XRF). Heterogeneous pigmented deposits were discovered in spinal cord, brain stem and motor neuron cortex of two ALS cases. The FTIR signature of creatine has been identified in these deposits and in numerous large, non-pigmented deposits in four of the ALS cases. Comparable pigmentation and creatine deposits were not found in controls or in ALS hippocampus and substantia nigra. Ca, K, Fe, Cu and Zn, as determined by XRF, were not correlated with the pigmented deposits; however, there was a higher incidence of hot spots (Ca, Zn, Fe and Cu) in the ALS cases. The identity of the pigmented deposits remains unknown, although the absence of Fe argues against both erythrocytes and neuromelanin. We conclude that elevated creatine deposits may be indicators of dysfunctional oxidative processes in some ALS cases.

  2. THE FTIR STUDIES OF PHOTO-OXIDATIVE DEGRADATION OF POLYPROPYLENE

    Institute of Scientific and Technical Information of China (English)

    WEN Zaiqing; HU Xingzhou; SHEN Deyan

    1988-01-01

    The photo-oxidative degradation process of polypropylene film containing iron ions was investigated via FTIR and absorbance substraction technique. It is shown that the iron ions play an important role in the decomposition of hydroperoxide and the increase of the degradation rate of polypropylene film. Theamorphous region of PP film undergoes degradation prior to the crystalline one.

  3. Vibrational microspectroscopy of food. Raman vs. FT-IR

    DEFF Research Database (Denmark)

    Thygesen, Lisbeth Garbrecht; Løkke, Mette Marie; Micklander, Elisabeth

    2003-01-01

    . The high spatial resolution makes it possible to study areas down to approximately 10x10 mum with FT-IR microspectroscopy and approximately 1 x 1 mum with Raman microspectroscopy. This presentation highlights the advantages and disadvantages of the two microspectroscopic techniques when applied...

  4. Fourier transform infrared (FTIR) spectroscopy for identification of ...

    African Journals Online (AJOL)

    Fourier transform infrared (FTIR) spectroscopy was used in this study to identify and determine spectral features of Chlorella vulgaris Beijerinck 1890 and Scenedesmus obliquus (Turpin) Kützing 1833. Two cultures were grown in a chemically-defined media under photoautotrophic culture conditions isolated from eutrophic ...

  5. FTIR Laboratory in Support of the PV Program

    International Nuclear Information System (INIS)

    Keyes, B. M.; Gedvilas, L. M.; Bhattacharya, R.; Xu, Y.; Li, X.; Wang, Q.

    2005-01-01

    The Fourier Transform Infrared Spectroscopy (FTIR) Laboratory supports the Solar Energy Technologies Program through the measurement and characterization of solar energy-related materials and devices. The FTIR technique is a fast, accurate, and reliable method for studying molecular structure and composition. This ability to identify atomic species and their bonding environment is a powerful combination that finds use in many research and development efforts. A brief overview of the technical approach used is contained in Section 2 of this report. Because of its versatility and accessibility, the FTIR Laboratory is a valuable contributor to the Solar Energy Technologies Program. The laboratory provides support for, and collaborates with, several in-house programs as well as our industry and university partners. By the end of FY 2004, the FTIR Laboratory performed over 1100 measurements on PV-related materials. These contributions resulted in conference and workshop presentations and several peer-reviewed publications. A brief summary of a few of these efforts is contained in Section 3 of this report

  6. FT-IR Microspectroscopy of Rat Ear Cartilage.

    Directory of Open Access Journals (Sweden)

    Benedicto de Campos Vidal

    Full Text Available Rat ear cartilage was studied using Fourier transform-infrared (FT-IR microspectroscopy to expand the current knowledge which has been established for relatively more complex cartilage types. Comparison of the FT-IR spectra of the ear cartilage extracellular matrix (ECM with published data on articular cartilage, collagen II and 4-chondroitin-sulfate standards, as well as of collagen type I-containing dermal collagen bundles (CBs with collagen type II, was performed. Ear cartilage ECM glycosaminoglycans (GAGs were revealed histochemically and as a reduction in ECM FT-IR spectral band heights (1140-820 cm-1 after testicular hyaluronidase digestion. Although ear cartilage is less complex than articular cartilage, it contains ECM components with a macromolecular orientation as revealed using polarization microscopy. Collagen type II and GAGs, which play a structural role in the stereo-arrangement of the ear cartilage, contribute to its FT-IR spectrum. Similar to articular cartilage, ear cartilage showed that proteoglycans add a contribution to the collagen amide I spectral region, a finding that does not recommend this region for collagen type II quantification purposes. In contrast to articular cartilage, the symmetric stretching vibration of -SO3- groups at 1064 cm-1 appeared under-represented in the FT-IR spectral profile of ear cartilage. Because the band corresponding to the asymmetric stretching vibration of -SO3- groups (1236-1225 cm-1 overlapped with that of amide III bands, it is not recommended for evaluation of the -SO3- contribution to the FT-IR spectrum of the ear cartilage ECM. Instead, a peak (or shoulder at 1027-1016 cm-1 could be better considered for this intent. Amide I/amide II ratios as calculated here and data from the literature suggest that protein complexes of the ear cartilage ECM are arranged with a lower helical conformation compared to pure collagen II. The present results could motivate further studies on this tissue

  7. Applications of FT-IR spectrophotometry in cancer diagnostics.

    Science.gov (United States)

    Bunaciu, Andrei A; Hoang, Vu Dang; Aboul-Enein, Hassan Y

    2015-01-01

    This review provides a brief background to the application of infrared spectroscopy, including Fourier transform-infrared spectroscopy, in biological fluids. It is not meant to be complete or exhaustive but to provide the reader with sufficient background for selected applications in cancer diagnostics. Fourier transform-infrared spectroscopy (FT-IR) is a fast and nondestructive analytical method. The infrared spectrum of a mixture serves as the basis to quantitate its constituents, and a number of common clinical chemistry tests have proven to be feasible using this approach. This review focuses on biomedical FT-IR applications, published in the period 2009-2013, used for early detection of cancer through qualitative and quantitative analysis.

  8. Effect of jitter on an imaging FTIR spectrometer

    Energy Technology Data Exchange (ETDEWEB)

    Bennett, C. L., LLNL

    1997-04-01

    Line of sight (LOS) jitter produces temporal modulations of the signals which are detected in the focal plane of a temporally modulated imaging Fourier Transform Spectrometer. A theoretical treatment of LOS jitter effects is given, and is compared with the results of measurements with LIFTIRS1 (the Livermore Imaging Fourier Transform InfraRed Spectrometer). The identification, isolation, quantification and removal of jitter artifacts in hyperspectral imaging data by means of principal components analysis is discussed. The theoretical distribution of eigenvalues expected from principal components analysis is used to determine the level of significance of spatially coherent instrumental artifacts in general, including jitter as a representative example. It is concluded that an imaging FTIR spectrometer is much less seriously impacted by a given LOS jitter level than a non imaging FTIR spectrometer.

  9. FT-IR spectroscopy of lipoproteins—A comparative study

    Science.gov (United States)

    Krilov, Dubravka; Balarin, Maja; Kosović, Marin; Gamulin, Ozren; Brnjas-Kraljević, Jasminka

    2009-08-01

    FT-IR spectra, in the frequency region 4000-600 cm -1, of four major lipoprotein classes: very low density lipoprotein (VLDL), low density lipoprotein (LDL) and two subclasses of high density lipoproteins (HDL 2 and HDL 3) were analyzed to obtain their detailed spectral characterization. Information about the protein domain of particle was obtained from the analysis of amide I band. The procedure of decomposition and curve fitting of this band confirms the data already known about the secondary structure of two different apolipoproteins: apo A-I in HDL 2 and HDL 3 and apo B-100 in LDL and VLDL. For information about the lipid composition and packing of the particular lipoprotein the well expressed lipid bands in the spectra were analyzed. Characterization of spectral details in the FT-IR spectrum of natural lipoprotein is necessary to study the influence of external compounds on its structure.

  10. Laser Spark Formamide Decomposition Studied by FT-IR Spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Ferus, Martin; Kubelík, Petr; Civiš, Svatopluk

    2011-01-01

    Roč. 115, č. 44 (2011), s. 12132-12141 ISSN 1089-5639 R&D Projects: GA AV ČR IAA400400705; GA AV ČR IAAX00100903; GA ČR GAP208/10/2302 Institutional research plan: CEZ:AV0Z40400503 Keywords : FT-IR spectroscopy * high-power laser * induced dielectric-breakdown Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.946, year: 2011

  11. In situ analysis of foliar zinc absorption and short-distance movement in fresh and hydrated leaves of tomato and citrus using synchrotron-based X-ray fluorescence microscopy

    Science.gov (United States)

    Du, Yumei; Kopittke, Peter M.; Noller, Barry N.; James, Simon A.; Harris, Hugh H.; Xu, Zhi Ping; Li, Peng; Mulligan, David R.; Huang, Longbin

    2015-01-01

    Background and Aims Globally, zinc deficiency is one of the most important nutritional factors limiting crop yield and quality. Despite widespread use of foliar-applied zinc fertilizers, much remains unknown regarding the movement of zinc from the foliar surface into the vascular structure for translocation into other tissues and the key factors affecting this diffusion. Methods Using synchrotron-based X-ray fluorescence microscopy (µ-XRF), absorption of foliar-applied zinc nitrate or zinc hydroxide nitrate was examined in fresh leaves of tomato (Solanum lycopersicum) and citrus (Citrus reticulatus). Key Results The foliar absorption of zinc increased concentrations in the underlying tissues by up to 600-fold in tomato but only up to 5-fold in citrus. The magnitude of this absorption was influenced by the form of zinc applied, the zinc status of the treated leaf and the leaf surface to which it was applied (abaxial or adaxial). Once the zinc had moved through the leaf surface it appeared to bind strongly, with limited further redistribution. Regardless of this, in these underlying tissues zinc moved into the lower-order veins, with concentrations 2- to 10-fold higher than in the adjacent tissues. However, even once in higher-order veins, the movement of zinc was still comparatively limited, with concentrations decreasing to levels similar to the background within 1–10 mm. Conclusions The results advance our understanding of the factors that influence the efficacy of foliar zinc fertilizers and demonstrate the merits of an innovative methodology for studying foliar zinc translocation mechanisms. PMID:25399024

  12. FTIR- Microspectroscopy as diagnostic method for cancer cells

    International Nuclear Information System (INIS)

    Vitaly Erukhimovitch, Vitaly; Mukmenev, Igor; Huleihel, Mahmoud

    2010-01-01

    In the present study we have compared the spectral behavior of malignant cells with normal un transformed cells using microscopic Fourier-Transform Infrared (FTIR-M) spectroscopy in order to evaluate the potential of this technique for early detection of cancer cells. Cells were transformed by infection with murine sarcoma virus (MuSV) and examined at various times post infection (p. i) by FTIR M. Our results showed significant and consistent differences between the normal cells and malignant cells. A considerable decrease in carbohydrates and phosphates levels was seen in malignant cells compared to the normal cells. In addition, the peak attributed to the PO2- symmetric stretching mode at 1082 cm-1 in normal cells was shifted significantly to 1087 cm-1 in malignant cells. These spectral changes in addition to others were seen already about 24 h p.i., while no morphological changes were observed at this time by optical microscope. These results in addition to further differences in the shapes of various bands may indicate for promising potential of FTIR microscopy technique for detection of malignant cells at early stages of malignant transformation.(Author)

  13. Air Contamination Quantification by FTIR with Gas Cell

    Science.gov (United States)

    Freischlag, Jason

    2017-01-01

    Air quality is of utmost importance in environmental studies and has many industrial applications such as aviators grade breathing oxygen (ABO) for pilots and breathing air for fire fighters. Contamination is a major concern for these industries as identified in MIL-PRF-27210, CGA G-4.3, CGA G-7.1, and NFPA 1989. Fourier Transform Infrared Spectroscopy (FTIR) is a powerful tool that when combined with a gas cell has tremendous potential for gas contamination analysis. Current procedures focus mostly on GC-MS for contamination quantification. Introduction of this topic will be done through a comparison of the currently used deterministic methods for gas contamination with those of FTIR gas analysis. Certification of the mentioned standards through the ISOIEC 17065 certifying body A2LA will be addressed followed by an evaluation of quality information such as the determinations of linearity and the limits of detection and quantitation. Major interferences and issues arising from the use of the FTIR for accredited work with ABO and breathing air will be covered.

  14. Characterization and identification of microorganisms by FT-IR microspectrometry

    Science.gov (United States)

    Ngo-Thi, N. A.; Kirschner, C.; Naumann, D.

    2003-12-01

    We report on a novel FT-IR approach for microbial characterization/identification based on a light microscope coupled to an infrared spectrometer which offers the possibility to acquire IR-spectra of microcolonies containing only few hundred cells. Microcolony samples suitable for FT-IR microspectroscopic measurements were obtained by a replica technique with a stamping device that transfers spatially accurate cells of microcolonies growing on solid culture plates to a special, IR-transparent or reflecting stamping plate. High quality spectra could be recorded either by applying the transmission/absorbance or the reflectance/absorbance mode of the infrared microscope. Signal to noise ratios higher than 1000 were obtained for microcolonies as small as 40 μm in diameter. Reproducibility levels were established that allowed species and strain identification. The differentiation and classification capacity of the FT-IR microscopic technique was tested for different selected microorganisms. Cluster and factor analysis methods were used to evaluate the complex spectral data. Excellent discrimination between bacteria and yeasts, and at the same time Gram-negative and Gram-positive bacterial strains was obtained. Twenty-two selected strains of different species within the genus Staphylococcus were repetitively measured and could be grouped into correct species cluster. Moreover, the results indicated that the method allows also identifications at the subspecies level. Additionally, the new approach allowed spectral mapping analysis of single colonies which provided spatially resolved characterization of growth heterogeneity within complex microbial populations such as colonies.

  15. 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.

  16. Photoacoustic FTIR spectroscopic study of undisturbed nacre from red abalone

    Science.gov (United States)

    Verma, Devendra; Katti, Kalpana; Katti, Dinesh

    2006-07-01

    In this work, photoacoustic Fourier transform infrared (PA-FTIR) spectroscopy has been utilized to study interfacial interactions of undisturbed nacre and nacre powder from red abalone shell. The spectra of both undisturbed nacre and nacre powder showed characteristic bands of aragonite and proteins. Although nacre powder and undisturbed nacre are chemically identical, PA-FTIR spectrum of undisturbed nacre is found to be significantly different from that of nacre powder. A broad and strong band is observed at around 1485 cm -1 in nacre powder. The intensity of this band is notably reduced in undisturbed nacre. This result is explained on the basis of interfacial interactions between aragonite platelets and acidic proteins. It is also observed that band at around 1788 cm -1 originates from three overlapping bands 1797, 1787 and 1778 cm -1. The band at around 1787 cm -1 is assigned to C dbnd O stretching of carboxylate groups of acidic proteins. The other two bands at 1797 and 1778 cm -1, originate from aragonite and have been assigned to combination bands, ν 3 + ν 4a and ν 3 + ν 4b, respectively. For the study of stratification in undisturbed nacre, PA-FTIR spectra have been collected in step scan mode. The variation in spectra with depth can be attributed to changes in conformation of proteins as well as interfacial interactions.

  17. HIDE working groups: synchrotron based system: summary

    International Nuclear Information System (INIS)

    Barton, M.Q.

    1978-01-01

    A brief overview is given of the work resulting from a one-week workshop on the use of synchrotrons in heavy ion fusion, i.e., a Heavy Ion Demonstration Experiment (HIDE). Topics discussed concerned the number of beams on target, space charge limitations, choice of ion charge state, and areas identified as needing further work

  18. HIDE working groups. A. Synchrotron based system

    International Nuclear Information System (INIS)

    Barton, M.Q.

    1977-01-01

    A summary is given of a week's discussions on an ion source to target scenario for a synchrotron for heavy ion fusion. Topics considered include: the number of beams on the target; beam dynamics; and a number of areas explicitly identified as needing further work

  19. Thyroid lesions diagnosis by Fourier transformed infrared absorption spectroscopy (FTIR)

    International Nuclear Information System (INIS)

    Albero, Felipe Guimaraes

    2009-01-01

    Thyroid nodules are a common disorder, with 4-7% of incidence in the Brazilian population. Although the fine needle aspiration (FNA) is an accurate method for thyroid tumors diagnosis, the discrimination between benign and malignant neoplasm is currently not possible in some cases with high incidence of false negative diagnosis, leading to a surgical intervention due to the risk of carcinomas. The aim of this study was to verify if the Fourier Transform infrared spectroscopy (FTIR) can contribute to the diagnosis of thyroid carcinomas and goiters, using samples of tissue and aspirates. Samples of FNA, homogenates and tissues of thyroid nodules with histopathological diagnosis were obtained and prepared for FTIR spectroscopy analysis. The FNA and homogenates samples were measured by μ-FTIR (between 950 . 1750 cm -1 ), at a nominal resolution of 4 cm -1 and 120 scans). Tissue samples were analyzed directly by ATR-FTIR technique, at a resolution 2 cm -1 , with 60 scans in the same region. All spectra were corrected by the baseline and normalized by amides area (1550-1640 cm -1 ) in order to minimize variations of sample homogeneity. Then, spectra were converted into second derivatives using the Savitzk-Golay algorithm with a 13 points window. The Ward's minimum variance algorithm and Euclidean distances among the points were used for cluster analysis. Some FNA samples showed complex spectral pattern. All samples showed some cell pellets and large amount of hormone, represented by the bands of 1545 and 1655 cm -1 . Bands in 1409, 1412, 1414, 1578 and 1579 cm -1 were also found, indicating possible presence of sugar, DNA, citric acid or metabolic products. In this study, it was obtained an excellent separation between goiter and malign lesion for the samples of tissues, with 100% of specificity in specific cluster and 67% sensibility and 50 of specificity. In homogenate and FNA samples this sensibility and specificity were lower, because among these samples, it were

  20. Differentiation of Leishmania species by FT-IR spectroscopy

    Science.gov (United States)

    Aguiar, Josafá C.; Mittmann, Josane; Ferreira, Isabelle; Ferreira-Strixino, Juliana; Raniero, Leandro

    2015-05-01

    Leishmaniasis is a parasitic infectious disease caused by protozoa that belong to the genus Leishmania. It is transmitted by the bite of an infected female Sand fly. The disease is endemic in 88 countries Desjeux (2001) [1] (16 developed countries and 72 developing countries) on four continents. In Brazil, epidemiological data show the disease is present in all Brazilian regions, with the highest incidences in the North and Northeast. There are several methods used to diagnose leishmaniasis, but these procedures have many limitations, are time consuming, have low sensitivity, and are expensive. In this context, Fourier Transform Infrared Spectroscopy (FT-IR) analysis has the potential to provide rapid results and may be adapted for a clinical test with high sensitivity and specificity. In this work, FT-IR was used as a tool to investigate the promastigotes of Leishmaniaamazonensis, Leishmaniachagasi, and Leishmaniamajor species. The spectra were analyzed by cluster analysis and deconvolution procedure base on spectra second derivatives. Results: cluster analysis found four specific regions that are able to identify the Leishmania species. The dendrogram representation clearly indicates the heterogeneity among Leishmania species. The band deconvolution done by the curve fitting in these regions quantitatively differentiated the polysaccharides, amide III, phospholipids, proteins, and nucleic acids. L. chagasi and L. major showed a greater biochemistry similarity and have three bands that were not registered in L. amazonensis. The L. amazonensis presented three specific bands that were not recorded in the other two species. It is evident that the FT-IR method is an indispensable tool to discriminate these parasites. The high sensitivity and specificity of this technique opens up the possibilities for further studies about characterization of other microorganisms.

  1. Preliminary Discrimination of Cheese Adulteration by FT-IR Spectroscopy

    Directory of Open Access Journals (Sweden)

    Lucian Cuibus

    2014-11-01

    Full Text Available The present work describes a preliminary study to compare some traditional Romanian cheeses and adulterated cheeses using Attenuated Total Reflectance-Fourier transform infrared spectroscopy (ATR-FTIR. For PLS model calibration (6 concentration levels and validation (5 concentration levels sets were prepared from commercial Dalia Cheese from different manufacturers by spiking it with palm oil at concentrations ranging 2-50 % and 5-40 %, respectively. Fifteen Dalia Cheese were evaluated as external set. The spectra of each sample, after homogenization, were acquired in triplicate using a FTIR Shimatsu Prestige 21 Spectrophotometer, with a horizontal diamond ATR accessory in the MIR region 4000-600 cm-1. Statistical methods as PLS were applied using MVC1 routines written for Matlab R2010a. As first step the optimal condition for PLS model were obtained using cross-validation on the Calibration set. Spectral region in 3873-652 cm-1, and 3 PLS-factors were stated as the best conditions and showed an R2 value of 0.9338 and a relative error in the calibration of 17.2%. Then validation set was evaluated, obtaining good recovery rates (108% and acceptable dispersion of the data (20%. The curve of actual vs. predicted values shows slope near to 1 and origin close to 0, with an R2 of 0.9695. When the external sample set was evaluated, samples F19, F21, F22 and F24, showed detectable levels of palm fats. The results proved that FTIR-PLS is a reliable non-destructive technique for a rapid quantification the level of adulteration in cheese.  The spectroscopic methods could assist the quality control authority, traders and the producers to discriminate the adulterated cheeses with palm oil.

  2. The study of efficiency of endogenous and exogenous preventive methods of tooth enamel remineralisation by FTIR microscopy using synchrotron radiation

    International Nuclear Information System (INIS)

    Goloshchapov, D L; Kashkarov, V M; Seredin, P V; Ippolitov, Y A; Plotnikova, Y A; Bambery, K

    2016-01-01

    The efficiency carious preventive methods was detected with the use of equipment for IR-spectromicroscopy and high-intensive synchrotron radiation. The results of the experiment are indicative of the use of exogenous caries prevention alone (use of a toothpaste) being inadequate in saturating hard dental tissues by mineral groups and, thus, keeping teeth healthy, as this method is only short-lived. The use of endogenous methods (mineral tablets based on calcium glycerophosphate) in combination with exogenous prevention enhances prevention as part of remineralisation of dental tissues. (paper)

  3. Validation and application of FTIR spectroscopy in raw milk analysis

    Directory of Open Access Journals (Sweden)

    Kučević Denis S.

    2017-01-01

    Full Text Available The aim of this study was to investigate whether FTIR spectroscopy is an accurate and valid technique for the assessment of quality parameters in raw cow's milk: fat, protein, lactose, and total solids. The assessment was based on calibration series and comparison with reference material. Furthermore, it takes into account the results obtained in the inter-laboratory comparisons (proficiency testing. The calibration samples were purchased from the accredited regional reference laboratories. The validation parameters included linearity, accuracy, repeatability, reproducibility, and robustness. The linearity ratio was 0.95%. The biases calculated for the fat, protein, lactose and dry matter were -0.33, 0.31, -0.25, and 0.06 respectively. The F value from the F-test was used to determine the significant differences between two independent sets of the results. The obtained results were as follows: 1.469 for fat, 1.634 for protein, 1.192 for lactose, and 0.528 for dry matter. The intra-laboratory reproducibility calculated as the Horwitz Ratios for all parameters were within the criterion limits (0.5 to 0.8. The data obtained for carry-over were 0.27% for fat, 0.52% for protein, 0.47% for lactose, and 0.47% for dry matter. Based on the obtained results it can be concluded that the FTIR spectroscopy is a reliable instrumental technique for the determination of fat, protein, lactose and total solids in raw cow's milk.

  4. Assessment of nonenzymatic glycation in protein by FTIR spectroscopy

    Science.gov (United States)

    Otero de Joshi, Virginia; Joshi, Narahari V.; Gil, Herminia; Velasquez, William; Contreras, Silvia; Marquez, Glevis

    1999-04-01

    Detection of nonenzymatic glycated proteins is a very significant feature in diabetes, aging and related diseases, therefore we have carried out an FTIR spectroscopic study for glycated and native proteins such as (gamma) -globulin, human serum albumin. For this purpose, commercially available proteins were glycated by a usual procedure and their FTIR spectra were recorded together with that of the native ones. In order to follow the changes in time, (gamma) -globulin was glycated during 1, 2, 3, 5 and 8 weeks and their spectra were recorded. Direct verification was obtained by examining a model unit where the -NH2 group was attached to glucose. The spectrum shows a strong peak at 3500 cm-1 confirming the observed variation in time dependent spectra. The general features of the spectra are very similar and there was no additional structure or change in the peaks. This is understandable as not all the lysine residues are glycated, only a small fraction. Glucose is attached to the (epsilon) -amino group of lysine to form Amadori products, and therefore, the vibrational modes corresponding to the (epsilon) -NH2 unit of lysine are expected to be altered. This region exactly lies in the Amide I region of protein structure. Careful investigation of this part, indeed, shows a complex structure originated from alternations of -NH2 group. Thus, the present investigation indicates that an optical approach could be a rapid and effective method to identify the nonenzymatic glycation process.

  5. Sem-edx and ftir studies of chlorinated rubber coating

    International Nuclear Information System (INIS)

    Bano, H.; Khan, M.I.

    2013-01-01

    Summary: Anticorrosive performance of chlorinated rubber coating has been investigated by visual examination, Scanning electron microscopy (SEM)/Energy dispersive X-ray (EDX) analysis and Fourier transform infrared (FTIR) spectroscopy. After surface preparation, commercially available coating system based on chlorinated rubber (primer)/chlorinated rubber (topcoat) formulation was applied on mild steel test panels (10cm x 15cm sizes). Prepared coated panels were exposed at marine, industrial and urban test sites located in Karachi, Pakistan according to ISO 8565 norm. Accelerated testing was performed by using a salt spray chamber (ASTM B117 norm). Accelerated weathering methods are the methods in which the factors responsible for the degradation of coatings are artificially intensified in order to achieve the rapid degradation of coatings. Visual examination of blistering and rusting as well as SEM micrographs indicated a more severe degradation of the coating surface characteristics at natural exposure testing sites (particularly at marine test site) than for accelerated (salt spray) testing. EDX determination of the Oxygen/Carbon (O/C) ratios also indicated increased degradation at natural test sites compared to the accelerated (salt spray) testing. Photooxidation of the binder results in the formation of carbonyl compounds as revealed by FTIR spectroscopy which also indicated dehydrochlorination. (author)

  6. High-density polyethylene dosimetry by transvinylene FTIR analysis

    DEFF Research Database (Denmark)

    McLaughlin, W.L.; Silverman, J.; Al-Sheikhly, M.

    1999-01-01

    and electrons. The useful dose range of 0.053 cm thick high-density polyethylene film (rho = 0.961 g cm(-3); melt index = 0.8 dg min(-1)), for irradiations by (60)Co gamma radiation and 2.0 and 0.4 MeV electron beams in deaerated atmosphere (Na gas), is about 50-10(3) kGy for FTIR transvinylene......The formation of transvinylene unsaturation, -CH=CH-, due to free-radical or cationic-initiated dehydrogenation by irradiation, is a basic reaction in polyethylene and is useful for dosimetry at high absorbed doses. The radiation-enhanced infrared absorption having a maximum at nu = 965 cm......(-l) (lambda = 10.36 mu m) is stable in air and can be measured by Fourier-transform infrared (FTIR) spectrophotometry. The quantitative analysis is a useful means of product end-point dosimetry for radiation processing with gamma rays and electrons, where polyethylene is a component of the processed product...

  7. The Designing of Magnetic-Driven Micromirror for Portable FTIRs

    Directory of Open Access Journals (Sweden)

    Shaoxi Wang

    2018-01-01

    Full Text Available Fourier transform infrared spectroscopy is a widely used instrument to analyze and test different materials including organic and inorganic. Most of current commercial Fourier transform infrared spectrometers are limited in miniaturization and scanning velocity by their macroscopic components. MEMS FTIR spectroscopy is one of the important applications of translational actuator-driven systems by using MEMS technology. The critical component in MEMS FTIRs is the large displacement translating micromirror and its actuator. The paper presents a large displacement and high-surface quality micromirror. The micromirror consists of a micromagnetic actuator and a micromirror plate. The mirror plate and the actuator are fabricated separately and bonded together afterwards, and its size is 3.6 × 3.6 mm2 high-surface quality square mirror plate and a 1cm2 moving part. The microactuator’s moving part is fabricated using MetalMUMPS, and its fixed part includes a ring permanent magnet and a solenoid to realize a large displacement. The mirror plate is fabricated using polished silicon coated with metal layer with high-surface prototypes that are fabricated and experimentally tested. A maximum stroke of 400 μm has been achieved in pull-in whereas only 140 μm stroke have been measured for a 4 to 5-volt DC-controlled displacement, and the resonance frequency is 10 Hz.

  8. Degradation process of lead chromate in paintings by Vincent van Gogh studied by means of synchrotron X-ray spectromicroscopy and related methods. 1. Artificially aged model samples.

    Science.gov (United States)

    Monico, Letizia; Van der Snickt, Geert; Janssens, Koen; De Nolf, Wout; Miliani, Costanza; Verbeeck, Johan; Tian, He; Tan, Haiyan; Dik, Joris; Radepont, Marie; Cotte, Marine

    2011-02-15

    On several paintings by artists of the end of the 19th century and the beginning of the 20th Century a darkening of the original yellow areas, painted with the chrome yellow pigment (PbCrO(4), PbCrO(4)·xPbSO(4), or PbCrO(4)·xPbO) is observed. The most famous of these are the various Sunflowers paintings Vincent van Gogh made during his career. In the first part of this work, we attempt to elucidate the degradation process of chrome yellow by studying artificially aged model samples. In view of the very thin (1-3 μm) alteration layers that are formed, high lateral resolution spectroscopic methods such as microscopic X-ray absorption near edge (μ-XANES), X-ray fluorescence spectrometry (μ-XRF), and electron energy loss spectrometry (EELS) were employed. Some of these use synchrotron radiation (SR). Additionally, microscopic SR X-ray diffraction (SR μ-XRD), μ-Raman, and mid-FTIR spectroscopy were employed to completely characterize the samples. The formation of Cr(III) compounds at the surface of the chrome yellow paint layers is particularly observed in one aged model sample taken from a historic paint tube (ca. 1914). About two-thirds of the chromium that is present at the surface has reduced from the hexavalent to the trivalent state. The EELS and μ-XANES spectra are consistent with the presence of Cr(2)O(3)·2H(2)O (viridian). Moreover, as demonstrated by μ-XANES, the presence of another Cr(III) compound, such as either Cr(2)(SO(4))(3)·H(2)O or (CH(3)CO(2))(7)Cr(3)(OH)(2) [chromium(III) acetate hydroxide], is likely.

  9. Hydrogenated fullerenes in space: FT-IR spectra analysis

    International Nuclear Information System (INIS)

    El-Barbary, A. A.

    2016-01-01

    Fullerenes and hydrogenated fullerenes are found in circumstellar and interstellar environments. But the determination structures for the detected bands in the interstellar and circumstellar space are not completely understood so far. For that purpose, the aim of this article is to provide all possible infrared spectra for C 20 and C 60 fullerenes and their hydrogenated fullerenes. Density Functional theory (DFT) is applied using B3LYP exchange-functional with basis set 6–31G(d, p). The Fourier transform infrared spectroscopy (FT-IR) is found to be capable of distinguishing between fullerenes, mono hydrogenated fullerenes and fully hydrogenated fullerenes. In addition, deposition of one hydrogen atom outside the fully hydrogenated fullerenes is found to be distinguished by forming H 2 molecule at peak around 4440 cm −1 . However, deposition of one hydrogen atom inside the fully hydrogenated fullerenes cannot be distinguished. The obtained spectral structures are analyzed and are compared with available experimental results.

  10. [Application of FTIR micro-spectroscopy in the tribology].

    Science.gov (United States)

    Hu, Zhi-meng

    2002-10-01

    The wave number of characteristic absorption peak nu asC-O-C of the polyester formed on the frictional process were determined by Fourier Transform Infrared (FTIR) Micro-spectroscopy, and the wave number displacement of characteristic absorption peak nu asC-O-C was analyzed based on the conversion mass of polyester formed. The internal relations between anti-wear order rule of hydroxyl fatty acids and vibration absorption peak nu asC-O-C of polyester formed by hydroxyl fatty acids was deduced according to these results, and the anti-wear order of hydroxyl fatty acids was reasonably explained, that is 13, 14-di-hydroxydocosanoic acid > 13 (14)-monohydroxydocosanoic acid = 9,10-dihydroxyoctadecanoic acid > 9,10,12-trihydroxyoctadecanoic acid > 9(10)-monohydroxyoctadecanoic acid. A net polyester film is formed by 13, 14-dihydroxydocosanoic acid and a linear polyester film is formed by 9, (10)-monohydroxyoctadecanoic acid and 13(14)-monohydroxydocosanoic acid.

  11. Ftir study of gamma irradiation LDPE film in air

    International Nuclear Information System (INIS)

    Moura, Esperidiana A.B.; Silva, Andre L.A.; Gouvea, Paulo H.D.; Silva, Leonardo G. Andrade e; Gouvea, Douglas; Castro, Ricardo H.R.; Wiebeck, Helio; Kawano, Yoshio

    2003-01-01

    The use of the ionizing radiation for application in plastic packaging, to improve some of properties and for radiation sterilization, has been gaining popularity in the packaging industry. As a consequence of the irradiation, plastic packaging materials can undergo some chemical and physical alterations in their basic function, mainly concerning the protection characteristics. Since changes in physical properties of irradiated packaging films reflect radiation-induced chemical changes in molecular structure, in this work, an investigation was performed by Ftir analysis of LDPE film before and after radiation. Film samples were irradiated with doses between 0 Gy and 100 kGy, at room temperature and in the presence of air. The results showed alterations in the molecular structure, according to the absorbed radiation dose. (author)

  12. BET, thermal degradation, and FTIR spectras of triazine polyamine polymers.

    Science.gov (United States)

    Can, Mustafa

    2017-04-01

    Here we show effect of the polyamine polymer chain length to BET isotherms. According to IUPAC classification [1], all three polymers are fitting type 1 physical adsorption isotherm with H3 hysteresis (except for EDA having H2 hysteresis). Moreover, TG and TGA analysis of polymers triazine-ethylenediamine (EDA) and triazine-triethylenetetramine (TETA) are provided. Due to the similarities of the structure, main decomposition temperatures are close to each other (between 593 K and 873 K). In order to understand change of FTIR spectra with adsorption and stripping Au(III), fresh, Au(III) adsorbed and recycled spectras of polymers measured. For further discussions about the effect of chain length to adsorption of Au(III) onto triazine polyamine polymer particles "Au (III) Uptake by Triazine Polyamine Polymers: Mechanism, Kinetic and Equilibrium Studies" Can et al. [2] (article in press).

  13. FTIR Drug-Polymer Interactions Studies of Perindopril Erbumine

    International Nuclear Information System (INIS)

    Modni, A.; Ahmad, S.; Din, I.; Hussain, Z.

    2014-01-01

    The present study was carried out to prepare different combinations of Perindopril Erbumine with different polymers like Hydroxy propyl methyl cellulose, Hydroxy propyl methyl cellulose K4M, Hydroxy propyl methyl cellulose K15M, Xanthan gum and Ethyl cellulose, thereby to determine any possible interactions between Perindopril erbumine and polymers. The analytical technique Fourier Transform Infrared (FTIR) spectroscopy was used to take spectra of individual drug, polymers and combination of drug with polymers. The results were analyzed to find out any interactions of Perindopril erbumine and polymers. From this study it was concluded that there were no any significant changes in characteristic peaks of drug after combinations with polymers which indicated no interaction between Perindopril erbumine and polymers. (author)

  14. Photoacoustic Fourier Transform Infrared (FTIR) Spectroscopy Of Solids

    Science.gov (United States)

    Vidrine, D. Warren

    1981-10-01

    After discovering the photoacoustic effect, Alexander Graham Bell predicted its use in spectrometers, and that it would find its greatest utility "in the ultra-red." More than ninety years were required to fulfil his first prediction, and the second is still a prophecy. There is no record whether he ever imagined that an invention being developed that same winter by a young protege of his named Albert Michelson would ever be combined with his photoacoustic effect. A century later, the combination was made by Farrow Burnham, and Eyring, using a visible-range interferometer spectrometer of their own design. Soon afterwards, Rockley and myself, working independently, applied the technique to infrared measurements of solid samples. Photoacoustic cells are now commercially available as FT-IR accessories, and the technique is in use in the field.

  15. [Raman, FTIR spectra and normal mode analysis of acetanilide].

    Science.gov (United States)

    Liang, Hui-Qin; Tao, Ya-Ping; Han, Li-Gang; Han, Yun-Xia; Mo, Yu-Jun

    2012-10-01

    The Raman and FTIR spectra of acetanilide (ACN) were measured experimentally in the regions of 3 500-50 and 3 500-600 cm(-1) respectively. The equilibrium geometry and vibration frequencies of ACN were calculated based on density functional theory (DFT) method (B3LYP/6-311G(d, p)). The results showed that the theoretical calculation of molecular structure parameters are in good agreement with previous report and better than the ones calculated based on 6-31G(d), and the calculated frequencies agree well with the experimental ones. Potential energy distribution of each frequency was worked out by normal mode analysis, and based on this, a detailed and accurate vibration frequency assignment of ACN was obtained.

  16. Application of microfluidic devices for time resolved FTIR spectroscopy

    International Nuclear Information System (INIS)

    Wagner, C.

    2012-01-01

    Within this thesis, micro fluidic mixers, operated in continuous flow mode, were used for time resolved FTIR studies of chemical reactions in aqueous solution. Any chemical reaction, that can be started upon mixing two reagents, can be examined with this technique. The mixing channel also serves as the observation window for the IR measurements. The actual measurements take place at well defined spots along this channel, corresponding to specific reaction times: moving the measurement spot (100 × 100 μm 2 ) towards the entry yields shorter reaction times, moving it towards the channel's end gives longer reaction times. The temporal resolution of the experiment depends on the flow rate inside the mixing channel and the spacing between subsequent measurement points. Fast flow rates, limited by the back pressure of the mixer leading to leakages, allow time resolutions in the sub-millisecond time range using a standard FTIR microscope, whereas slow flow rates allow the measurement of reaction times up to 1000 ms. Evaluating the mixer using a fast chemical reaction resulted in mixing times of approximately 5 ms and a homogeneous distribution of the liquids across the width of the mixing channel. The mixer was then used for the measurement of the H/D exchange on carbohydrates, the complex formaldehyde sulfite clock reaction, and the folding of the protein ubiquitin from its native to the ''A'' state, induced by mixing it with an acidified methanol solution. For cleaning the mixer a software tool, called ATLAS, was developed in LabVIEW, which was used to automatize the necessary cleaning steps performed by a dedicated flow system. Additionally, the micro mixer technology was combined with the step scan measurement technique using a beam condenser focusing the IR beam of an FTIR spectrometer down to a spot size of 1 mm diameter and through the mixer. The laser light, initiating the chemical reaction inside the mixing channel, was coupled into the focusing unit using a

  17. Study of the deuterated albumin by FT-IR spectroscopy

    International Nuclear Information System (INIS)

    Stoenescu, Daniela; Sahini, V.E.

    2000-01-01

    The albumin is a protein from the soluble or corpuscular protein class, which exists in cells, in dissolved state or in form of a hydrated gel. Proteins are essential constituents beside water, inorganic salts, lipids, carbon hydrates, vitamins, enzymes. The albumin is also a protein soluble in water and in diluted electrolyte solutions (acids, bases and salts). The investigation of the vibration isotopic effect has a great importance both for the diatomic molecules and for the polyatomic molecules. This paper is the first from a series of works which are intended to study the physico-chemical properties of the deuterated albumin and of the albumin solutions in heavy water by an isotopic exchange method. To put in evidence H-D exchange, the FT-IR spectroscopy is used when the deuterated albumin has different layer thickness. It is also of interest to elucidate the isotopic exchange between the hydrogen and oxygen atoms in bovine serum albumin macromolecules. (authors)

  18. [FTIR study on the finger nail with carcinoma of nasopharynx].

    Science.gov (United States)

    Dong, Qin; Liu, Gang; Liu, Tian-hui

    2004-12-01

    Finger nails from twenty normal people and three with carcinoma of nasopharynx were studied by Fourier Transform Infrared (FTIR) technique. The results showed that there are obvious differences between FTIR spectra of them in spectral parameters such as frequency, intensity and band shape etc. The most striking differences in the spectra were observed in the change of amide II, the disappearance of delta(s) (CH3) peak, and at 874.0 cm(-1) whether appeared an absorption peak. The changes involving the phosphate symmetric stretching nu(s, PO2-) and asynmmetric stretching nu(as, PO2-) modes, the CH3 and CH2 groups stretching (v(s, CH2), nu(as, CH3)) bending (delta (CH3)) modes and the C-O stretching nu (C-O) mode were discussed. In addition, the changes of structure of hydrogen-bonding of nucleic acid and cell proteins and the packing and the conformational structure of the membrane lipids were analysed. The average wave number of band of nu(s) (PO2-) shifted from 1080.0 to 1077.6 cm(-1) and that of nu(as) (PO2-) shifted from 1239.4 to 1238.4 cm(-1), which indicated that the degree of hydrogen-bonding formed by oxygen atom of the phosphodiester groups of nucleic acids was weakened. The average wave number of band of delta (CH2) of membrane lipids shifted from 1453.1 to 1453.7 cm(-1), and its peak intensity was slightly enhanced, which suggested that the conformational structure of the methylene chains of membrane lipids is more disordered than in normal nail.

  19. [FTIR study on the normal and cancerous stomach tissues].

    Science.gov (United States)

    Tong, Y; Lin, Y

    2001-06-01

    Tissues of cancerous and corresponding normal stomach were studied by FTIR technique. The results showed that there are obvious differences between FTIR spectra of them in spectral parameters such as frequency, intensity and band shape etc. The changes involving the phosphate symmetric stretching nu s, PO2- and asymmetric stretching nu as, PO2- modes, the CH3 and CH2 groups stretching (nu s, CH2, nu as, CH3) and bending (delta CH2) modes and the C-O stretching nu C-O mode were discussed. In addition, the changes of structure of hydrogen-bonding of nucleic acid and cell proteins and the packing and the conformational structure of the membrance lipids were analysed further. The average wavenumber of band of nu s, PO2- shifted from 1,080.92 cm-1 to 1,085.93 cm-1 and that of nu as, PO2- shifted from 1,239.64 cm-1 to 1,238.73 cm-1 which indicated that the degree of hydrogen-bonding formed by oxygen atom of the phosphodiester groups of nucleic acids was increased. The average wavenumber of band of delta CH2 of membrance lipids shifted from 1,455.23 cm-1 to 1,457.37 cm-1 that suggested that the conformational structure of the methylene chains of membrance lipids is more disordered than in normal tissues. The shift of band of nu C-O of cell proteins from 1,166.08 cm-1 to 1,166.58 cm-1 indicated that the hydrogen-bond of cell proteins become weaker.

  20. [Effect of Long-Term Fertilization on Organic Nitrogen Functional Groups in Black Soil as Revealed by Synchrotron-Based X-Ray Absorption Near-Edge Structure Spectroscopy].

    Science.gov (United States)

    Li, Hui; Gao, Qiang; Wang, Shuai; Zhu, Ping; Zhang, Jin-jing; Zhao, Yi-dong

    2015-07-01

    Nitrogen (N) is a common limiting nutrient in crop production. The N content of soil has been used as an important soil fertility index. Organic N is the major form of N in soil. In most agricultural surface soils, more than 90% of total N occurs in organic forms. Therefore, understanding the compositional characteristics of soil organic N functional groups can provide the scientific basis for formulating the reasonable farmland management strategies. Synchrotron radiation soft X-ray absorption near-edge structure (N K-edge XANES) spectroscopy is the most powerful tool to characterize in situ organic N functional groups compositions in soil. However, to our most knowledge, no studies have been conducted to examine the organic N functional groups compositions of soil using N K-edge XANES spectroscopy under long-term fertilization practices. Based on a long-term field experiment (started in 1990) in a black soil (Gongzhuling, Northeast China), we investigated the differences in organic N functional groups compositions in bulk soil and clay-size soil fraction among fertilization patterns using synchrotron-based N K- edge XANES spectroscopy. Composite soil samples (0-20 cm) were collected in 2008. The present study included six treatments: farmland fallow (FALL), no-fertilization control (CK), chemical nitrogen, phosphorus, and potassium fertilization (NPK), NPK in combination with organic manure (NPKM), 1.5 times of NPKM (1.5 NPKM), and NPK in combination with maize straw (NPKS). The results showed that N K-edge XANES spectra of all the treatments under study exhibited characteristic absorption peaks in the ranges of 401.2-401.6 and 402.7-403.1 eV, which were assigned as amides/amine-N and pyrrole-N, respectively. These characteristic absorption peaks were more obvious in clay-size soil fraction than in bulk soil. The results obtained from the semi-quantitative analysis of N K-edge XANES spectra indicated that the relative proportion of amides/amine-N was the highest

  1. Developing of FTIR- and new probe technique for combustion gas analysis; Utveckling av FTIR- och sondteknik foer gasanalys i foerbraenningsrum

    Energy Technology Data Exchange (ETDEWEB)

    Johansson, Annika; Andersson, Christer [Vattenfall Utveckling AB, Stockholm (Sweden); Thulin, C [Swedish National Testing and Research Inst., Boraas (Sweden); Karlsson, Maria; Aamand, L E [Chalmers Univ. of Technology, Goeteborg (Sweden)

    1996-08-01

    The objective of the reported project has been to develop and field test a versatile measurement system for combustion gases based on the FTIR technique. The project has included the following stages: Development of gas sampling methods, Further development of the FTIR technique, Field testing of the measurement system. The development of evaluation routines based on CLS and PLS methods has lead to the conclusion that both methods are well suited for the application in question, which enables an automation of the evaluation procedure. However, the elaboration of versatile and quality controlled methods is time consuming and the application requires a qualified user. With the dilution probe prototype, a satisfactory rejection of particles is achieved at the same time as a good mixing of the dilution gas and the sample gas takes place. Sampling is performed without using a filter at the probe tip. The intended function of the probe requires that most particles can be rejected without giving rise to a too high dilution ratio. This was achieved in the middle and upper part of the CFB boiler. Comparisons of measurement data from field measurements with the developed probe concept and the `conventional` CTH extractive probe show that the results are in good agreement in many cases, but also that interesting discrepancies exist. Sampling artefacts have been noticed for the gases HCN and SO{sub 2}, where HCN and SO{sub 2} are found in higher concentrations when sampling with the dilution probe. Analyzed concentrations of CO and hydrocarbons (methane, ethene and acetylene) are throughout all the measurements lower when the dilution probe is used. 21 refs, 34 figs, 29 tabs

  2. 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)

  3. Diffuse reflectance FTIR of stains on grit blasted metals

    Energy Technology Data Exchange (ETDEWEB)

    Powell, G.L.; Hallman, R.L. Jr.; Cox, R.L. [Oak Ridge Centers for Manufacturing Technologies, TN (United States)

    1997-08-09

    Diffuse reflectance mid-infrared Fourier transform (DRIFT) spectroscopy has been applied to the detection of oil contamination on grit-blasted metals. The object of this application is to detect and discriminate between silicone and hydrocarbon oil contamination at levels approaching 10 mg/m{sup 2}. A portable FTIR spectrometer with dedicated diffuse reflectance optics was developed for this purpose. Using translation devices positioned by instructions from the spectrometer operating system, images of macroscopic substrates were produced with millimeter spatial resolution. The pixels that comprise an image are each a full mid-infrared spectrum with excellent signal-to-noise, each determined as individual files and uniquely saved to disc. Reduced spectra amplitudes, based on peak height, area, or other chemometric techniques, mapped as a function of the spatial coordinates of the pixel are used to display the image. This paper demonstrates the application of the technique to the analysis of stains on grit-blasted metals, including the calibration of the method, the inspection of substrates, and the migration of oil contamination.

  4. Hydration of amino acids: FTIR spectra and molecular dynamics studies.

    Science.gov (United States)

    Panuszko, Aneta; Adamczak, Beata; Czub, Jacek; Gojło, Emilia; Stangret, Janusz

    2015-11-01

    The hydration of selected amino acids, alanine, glycine, proline, valine, isoleucine and phenylalanine, has been studied in aqueous solutions by means of FTIR spectra of HDO isotopically diluted in H2O. The difference spectra procedure and the chemometric method have been applied to remove the contribution of bulk water and thus to separate the spectra of solute-affected HDO. To support interpretation of obtained spectral results, molecular dynamics simulations of amino acids were performed. The structural-energetic characteristic of these solute-affected water molecules shows that, on average, water affected by amino acids forms stronger and shorter H-bonds than those in pure water. Differences in the influence of amino acids on water structure have been noticed. The effect of the hydrophobic side chain of an amino acid on the solvent interactions seems to be enhanced because of the specific cooperative coupling of water strong H-bond chain, connecting the carboxyl and amino groups, with the clathrate-like H-bond network surrounding the hydrocarbon side chain. The parameter derived from the spectral data, which corresponds to the contributions of the population of weak hydrogen bonds of water molecules which have been substituted by the stronger ones in the hydration sphere of amino acids, correlated well with the amino acid hydrophobicity indexes.

  5. 3-Iodobenzaldehyde: XRD, FT-IR, Raman and DFT studies.

    Science.gov (United States)

    Kumar, Chandraju Sadolalu Chidan; Parlak, Cemal; Tursun, Mahir; Fun, Hoong-Kun; Rhyman, Lydia; Ramasami, Ponnadurai; Alswaidan, Ibrahim A; Keşan, Gürkan; Chandraju, Siddegowda; Quah, Ching Kheng

    2015-06-15

    The structure of 3-iodobenzaldehyde (3IB) was characterized by FT-IR, Raman and single-crystal X-ray diffraction techniques. The conformational isomers, optimized geometric parameters, normal mode frequencies and corresponding vibrational assignments of 3IB were examined using density functional theory (DFT) method, with the Becke-3-Lee-Yang-Parr (B3LYP) functional and the 6-311+G(3df,p) basis set for all atoms except for iodine. The LANL2DZ effective core basis set was used for iodine. Potential energy distribution (PED) analysis of normal modes was performed to identify characteristic frequencies. 3IB crystallizes in monoclinic space group P21/c with the O-trans form. There is a good agreement between the theoretically predicted structural parameters, and vibrational frequencies and those obtained experimentally. In order to understand halogen effect, 3-halogenobenzaldehyde [XC6H4CHO; X=F, Cl and Br] was also studied theoretically. The free energy difference between the isomers is small but the rotational barrier is about 8kcal/mol. An atypical behavior of fluorine affecting conformational preference is observed. Copyright © 2015 Elsevier B.V. All rights reserved.

  6. Hydrogenated fullerenes in space: FT-IR spectra analysis

    Energy Technology Data Exchange (ETDEWEB)

    El-Barbary, A. A. [Physics Department, Faculty of Education, Ain-Shams University, Cairo, Egypt Physics Department, Faculty of Science, Jazan University, Jazan (Saudi Arabia)

    2016-06-10

    Fullerenes and hydrogenated fullerenes are found in circumstellar and interstellar environments. But the determination structures for the detected bands in the interstellar and circumstellar space are not completely understood so far. For that purpose, the aim of this article is to provide all possible infrared spectra for C{sub 20} and C{sub 60} fullerenes and their hydrogenated fullerenes. Density Functional theory (DFT) is applied using B3LYP exchange-functional with basis set 6–31G(d, p). The Fourier transform infrared spectroscopy (FT-IR) is found to be capable of distinguishing between fullerenes, mono hydrogenated fullerenes and fully hydrogenated fullerenes. In addition, deposition of one hydrogen atom outside the fully hydrogenated fullerenes is found to be distinguished by forming H{sub 2} molecule at peak around 4440 cm{sup −1}. However, deposition of one hydrogen atom inside the fully hydrogenated fullerenes cannot be distinguished. The obtained spectral structures are analyzed and are compared with available experimental results.

  7. Analysis of contaminants on electronic components by reflectance FTIR spectroscopy

    International Nuclear Information System (INIS)

    Griffith, G.W.

    1982-09-01

    The analysis of electronic component contaminants by infrared spectroscopy is often a difficult process. Most of the contaminants are very small, which necessitates the use of microsampling techniques. Beam condensers will provide the required sensitivity but most require that the sample be removed from the substrate before analysis. Since it can be difficult and time consuming, it is usually an undesirable approach. Micro ATR work can also be exasperating, due to the difficulty of positioning the sample at the correct place under the ATR plate in order to record a spectrum. This paper describes a modified reflection beam condensor which has been adapted to a Nicolet 7199 FTIR. The sample beam is directed onto the sample surface and reflected from the substrate back to the detector. A micropositioning XYZ stage and a close-focusing telescope are used to position the contaminant directly under the infrared beam. It is possible to analyze contaminants on 1 mm wide leads surrounded by an epoxy matrix using this device. Typical spectra of contaminants found on small circuit boards are included

  8. Impedance Spectroscopy and FTIR Studies of PEG - Based Polymer Electrolytes

    Directory of Open Access Journals (Sweden)

    Anji Reddy Polu

    2011-01-01

    Full Text Available Ionic conductivity of poly(ethylene glycol (PEG - ammonium chloride (NH4Cl based polymer electrolytes can be enhanced by incorporating ceramic filler TiO2 into PEG-NH4Cl matrix. The electrolyte samples were prepared by solution casting technique. FTIR studies indicates that the complex formation between the polymer, salt and ceramic filler. The ionic conductivity was measured using impedance spectroscopy technique. It was observed that the conductivity of the electrolyte varies with TiO2 concentration and temperature. The highest room temperature conductivity of the electrolyte of 7.72×10−6 S cm-1 was obtained at 15% by weight of TiO2 and that without TiO2 filler was found to be 9.58×10−7 S cm−1. The conductivity has been improved by 8 times when the TiO2 filler was introduced into the PEG–NH4Cl electrolyte system. The conductance spectra shows two distinct regions: a dc plateau and a dispersive region. The temperature dependence of the conductivity of the polymer electrolytes seems to obey the VTF relation. The conductivity values of the polymer electrolytes were reported and the results were discussed. The imaginary part of dielectric constant (εi decreases with increase in frequency in the low frequency region whereas frequency independent behavior is observed in the high frequency region.

  9. A chemometric method for correcting FTIR spectra of biomaterials for interference from water in KBr discs

    Science.gov (United States)

    FTIR analysis of solid biomaterials by the familiar KBr disc technique is very often frustrated by water interference in the important protein (amide I) and carbohydrate (hydroxyl) regions of their spectra. A method was therefore devised that overcomes the difficulty and measures FTIR spectra of so...

  10. FTIR spectra of whey and casein hydrolysates in relation to their functional properties

    NARCIS (Netherlands)

    Ven, van der C.; Muresan, S.; Gruppen, H.; Bont, D.B.A.; Merck, K.B.; Voragen, A.G.J.

    2002-01-01

    Mid-infrared spectra of whey and casein hydrolysates were recorded using Fourier transform infrared (FTIR) spectroscopy. Multivariate data analysis techniques were used to investigate the capacity of FTIR spectra to classify hydrolysates and to study the ability of the spectra to predict bitterness,

  11. Validation of the CrIS fast physical NH3 retrieval with ground-based FTIR

    NARCIS (Netherlands)

    Dammers, E.; Shephard, M.W.; Palm, M.; Cady-Pereira, K.; Capps, S.; Lutsch, E.; Strong, K.; Hannigan, J.W.; Ortega, I.; Toon, G.C.; Stremme, W.; Grutter, M.; Jones, N.; Smale, D.; Siemons, J.; Hrpcek, K.; Tremblay, D.; Schaap, M.; Notholt, J.; Willem Erisman, J.

    2017-01-01

    Presented here is the validation of the CrIS (Cross-track Infrared Sounder) fast physical NH3 retrieval (CFPR) column and profile measurements using ground-based Fourier transform infrared (FTIR) observations. We use the total columns and profiles from seven FTIR sites in the Network for the

  12. Vacuum FTIR study on the hygroscopicity of magnesium acetate aerosols

    Science.gov (United States)

    Wang, Na; Cai, Chen; He, Xiang; Pang, Shu-Feng; Zhang, Yun-Hong

    2018-03-01

    Hygroscopicity and volatility of secondary organic aerosol (SOA) are two important properties, which determine the composition, concentration, size, phase state of SOA and thus chemical and optical properties for SOA. In this work, magnesium acetate (Mg(Ac)2) aerosol was used as a simple SOA model in order to reveal relationship between hygroscopicity and volatility. A novel approach was set up based on a combination of a vacuum FTIR spectrometer and a home-made relative humidity (RH) controlling system. The striking advantage of this approach was that the RH and the compositions of aerosols could be obtained from a same IR spectrum, which guaranteed the synchronism between RH and spectral features on a sub-second scale. At the constant RH of 90% and 80% for 3000 s, the water content within Mg(Ac)2 aerosol particles decreased about 19.0% and 9.4% while there were 13.4% and 6.0% of acetate loss. This was attributed to a cooperation between volatile of acetic acid and Mg2 + hydrolysis in Mg(Ac)2 aerosols, which greatly suppressed the hygroscopicity of Mg(Ac)2 aerosols. When the RH changed with pulsed mode between 70% and 90%, hygroscopicity relaxation was observed for Mg(Ac)2 aerosols. Diffuse coefficient of water in the relaxation process was estimated to be 5 × 10- 12 m2·s- 1 for the Mg(Ac)2 aerosols. Combining the IR spectra analysis, the decrease in the diffuse coefficient of water was due to the formation of magnesium hydroxide accompanying acetic acid evaporation in the aerosols.

  13. Water in Tektites and Impact Glasses by FTIR Spectrometry

    Science.gov (United States)

    Beran, Anton; Koeberl, Christian

    1997-03-01

    To improve the scarce data base of water content in tektites and impact glasses, we analyzed 26 tektites from all four strewn fields and 25 impact glass samples for their water content. We used the fourier transformed IR (FTIR) spectrometry method, which permits measurement of areas of about 40 mm in diameter. Our results show that the tektites have water contents ranging from 0.002 to 0.030 wt% (average 0.014+/-0.008 wt%). Ivory Coast tektites have the lowest water abundances (0.002-0.003 wt%), and Muong Nong-type indochinites and some North American tektites having the highest contents (up to about 0.03 wt%). Impact glass samples (from the Zhamanshin, Aouelloul, and Rio Cuarto craters) yielded water contents of 0.008 to 0.13 wt% H2O. Typical impact glasses from the Aouelloul and Zhamanshin craters have low water contents (0.008 to 0.063 wt%). Libyan Desert Glasses and Rio Cuarto glasses have higher water contents (about 0.11 wt%). We also analyzed glasses of unknown origin (e.g., urengoites; glass fragments from Tikal), which showed very low water contents, in agreement with an origin by impact. Our data confirm that all tektites found on land have very low water contents (<0.03 wt% water), while impact glasses have slightly higher water contents. Both glass types are very dry compared to volcanic glasses. This study confirms that the low water contents (<0.05 wt%) of such glasses can be considered good evidence for an origin by impact.

  14. Compositional characterization of carbon electrode material: A study using simultaneous TG-DTA-FTIR

    International Nuclear Information System (INIS)

    Raje, Naina; Aacherekar, Darshana A.; Reddy, A.V.R.

    2009-01-01

    Present work describes the application of thermal methods, especially the evolved gas analysis (EGA) for the compositional characterization of carbon electrode material with respect to its organic, amorphous and graphitic carbon content. Trace levels of organic carbon present in the amorphous carbon samples were determined qualitatively by using FTIR absorption spectroscopy. Amorphous and graphitic carbon content in synthetic mixture samples were determined quantitatively using simultaneous TG-DTA-FTIR measurements. FTIR system was calibrated using the measured absorption signal of the evolved carbon dioxide due to the decomposition of cadmium carbonate. Inter-comparison studies using TG-FTIR measurements show that simultaneous FTIR spectroscopy is an effective complementary quantitative measurement technique for thermogravimetric analysis involving the complex decomposition reaction processes.

  15. Observation and simulation of ethane at 23 FTIR sites

    Science.gov (United States)

    Bader, W. M. J.; Mahieu, E.; Franco, B.; Pozzer, A.; Taraborrelli, D.; Prignon, M.; Servais, C. P.; De Maziere, M.; Vigouroux, C.; Mengistu Tsidu, G.; Sufa, G.; Mellqvist, J.; Blumenstock, T.; Hase, F.; Schneider, M.; Sussmann, R.; Nagahama, T.; Sudo, K.; Hannigan, J. W.; Ortega, I.; Morino, I.; Nakajima, H.; Smale, D.; Makarova, M.; Poberovsky, A.; Murata, I.; Grutter de la Mora, M.; Guarin, C. A.; Stremme, W.; Té, Y.; Jeseck, P.; Notholt, J.; Palm, M.; Conway, S. A.; Lutsch, E.; Strong, K.; Griffith, D. W. T.; Jones, N. B.; Paton-Walsh, C.; Friedrich, M.; Smeekes, S.

    2017-12-01

    Ethane is the most abundant non-methane hydrocarbon (NMHC) in the Earth atmosphere. Its main sources are of anthropogenic origin, with globally 62% from leakage during production and transport of natural gas, 20% from biofuel combustion and 18% from biomass burning. In the Southern hemisphere, anthropogenic emissions are lower which makes biomass burning emissions a more significant source. The main removal process is oxidation by the hydroxyl radical (OH), leading to a mean atmospheric lifetime of 2 months. Until recently, a prolonged decrease of its abundance has been documented, at rates of -1 to -2.7%/yr, with global emissions dropping from 14 to 11 Tg/yr over 1984-2010 owing to successful measures reducing fugitive emissions from its fossil fuel sources. However, subsequent investigations have reported on an upturn in the ethane trend, characterized by a sharp rise from about 2009 onwards. The ethane increase is attributed to the oil and natural gas production boom in North America, although significant changes in OH could also be at play. In the present contribution, we report the trend of ethane at 23 ground-based Fourier Transform Infrared (FTIR) sites spanning the 80ºN to 79ºS latitude range. Over 2010-2015, a significant ethane rise of 3-5%/yr is determined for most sites in the Northern Hemisphere, while for the Southern hemisphere the rates of changes are not significant at the 2-sigma uncertainty level . Dedicated model simulations by EMAC (ECHAM5/MESSy Atmospheric Chemistry; 1.8×1.8 degrees) implementing various emission scenarios are included in order to support data interpretation. The usual underestimation of the NMHCs emissions in the main inventories is confirmed here for RCP85 (Representative Concentration Pathway Database v8.5). Scaling them by 1.5 is needed to capture the background levels of atmospheric ethane. Moreover, additional and significant emissions ( 7 Tg over 2009-2015) are needed to capture the ethane rise in the Northern

  16. Synchrotron FTIR Imaging For The Identification Of Cell Types Within Human Tissues

    International Nuclear Information System (INIS)

    Walsh, Michael J.; Pounder, F. Nell; Nasse, Michael J.; Macias, Virgilia; Kajdacsy-Balla, Andre; Hirschmugl, Carol; Bhargava, Rohit

    2010-01-01

    The use of synchrotron Fourier Transform Infrared spectroscopy (S-FTIR) has been shown to be a very promising tool for biomedical research. S-FTIR spectroscopy allows for the fast acquisition of infrared (IR) spectra at a spatial resolution approaching the IR diffraction limit. The development of the Infrared Environmental Imaging (IRENI) beamline at the Synchrotron Radiation Center (SRC) at the University of Wisconsin-Madison has allowed for diffraction limited imaging measurements of cells in human prostate and breast tissues. This has allowed for the identification of cell types within tissues that would otherwise not have been resolvable using conventional FTIR sources.

  17. Determination of drug content in semisolid formulations by non-invasive spectroscopic methods: FTIR - ATR, - PAS, - Raman and PDS

    International Nuclear Information System (INIS)

    Gotter, B; Hein, J; Neubert, R H H; Faubel, W; Heissler, St

    2010-01-01

    This study elucidates the potential use of photothermal deflection spectroscopy (PDS), FTIR photoacoustic (FTIR-PAS), FT Raman, and FTIR-attenuated total reflection (FTIR-ATR) spectroscopy as analytical tools for investigating the drug content in semisolid formulations. Regarding the analytical parameters, this study demonstrates the photothermal beam deflection to be definitely comparable to well established spectroscopic methods for this purpose. The correlation coefficients range from 0.990 to 0.999. Likewise, repeatability and limit of detection are comparable.

  18. Heavy fuel oil pyrolysis and combustion: kinetics and evolved gases investigated by TGA-FTIR

    KAUST Repository

    Abdul Jameel, Abdul Gani; Han, Yunqing; Brignoli, Omar; Telalovic, Selvedin; Elbaz, Ayman M.; Im, Hong G.; Roberts, William L.; Sarathy, Mani

    2017-01-01

    investigated using non-isothermal thermo-gravimetric analysis (TGA) coupled with a Fourier-transform infrared (FTIR) spectrometer. TG and DTG (differential thermo-gravimetry) were used for the kinetic analysis and to study the mass loss characteristics due

  19. A Synchrotron FTIR Microspectroscopy Investigation of Fungal Hyphae Grown under Optimal and Stressed Conditions

    International Nuclear Information System (INIS)

    Szeghalmi, A.; Kaminskyj, S.; Gough, K.

    2007-01-01

    Synchrotron FTIR can provide high spatial resolution ( o C but have growth defects at 42 o C. We have also investigated Neurospora and Rhizopus cultures grown in media with optimal or elevated pH. Significant differences between the spectra of the three fungi are likely related to differences in composition and structure. In addition, high spatial resolution synchrotron FTIR spectroscopy provides an outstanding method for monitoring subtle subcellular changes that accompany environmental stress

  20. 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.

  1. Probing plasma fluorinated graphene via spectromicroscopy.

    Science.gov (United States)

    Struzzi, C; Scardamaglia, M; Reckinger, N; Sezen, H; Amati, M; Gregoratti, L; Colomer, J-F; Ewels, C; Snyders, R; Bittencourt, C

    2017-11-29

    Plasma fluorination of graphene is studied using a combination of spectroscopy and microscopy techniques, giving insight into the yield and fluorination mechanism for functionalization of supported graphene with both CF 4 and SF 6 gas precursors. Ion acceleration during fluorination is used to probe the effect on grafting functionalities. Adatom clustering, which occurs with CF 4 plasma treatment, is suppressed when higher kinetic energy is supplied to the ions. During SF 6 plasma functionalization, the sulfur atoms tend to bond to bare copper areas instead of affecting the graphene chemistry, except when the kinetic energy of the ions is restricted. Using scanning photoelectron microscopy, with a 100 nm spatial resolution, the chemical bonding environment is evaluated in the fluorinated carbon network at selected regions and the functionalization homogeneity is controlled in individual graphene flakes.

  2. Spectromicroscopy of self-assembled protein clusters

    Energy Technology Data Exchange (ETDEWEB)

    Schonschek, O.; Hormes, J.; Herzog, V. [Univ. of Bonn (Germany)

    1997-04-01

    The aim of this project is to use synchrotron radiation as a tool to study biomedical questions concerned with the thyroid glands. The biological background is outlined in a recent paper. In short, Thyroglobulin (TG), the precursor protein of the hormone thyroxine, forms large (20 - 500 microns in diameter) clusters in the extracellular lumen of thyrocytes. The process of the cluster formation is still not well understood but is thought to be a main storage mechanism of TG and therefore thyroxine inside the thyroid glands. For human thyroids, the interconnections of the proteins inside the clusters are mainly disulfide bondings. Normally, sulfur bridges are catalyzed by an enzyme called Protein Disulfide Bridge Isomerase (PDI). While this enzyme is supposed to be not present in any extracellular space, the cluster formation of TG takes place in the lumen between the thyrocytes. A possible explanation is the autocatalysis of TG.

  3. XRD and FTIR crystallinity indices in sound human tooth enamel and synthetic hydroxyapatite

    International Nuclear Information System (INIS)

    Reyes-Gasga, José; Martínez-Piñeiro, Esmeralda L.; Rodríguez-Álvarez, Galois; Tiznado-Orozco, Gaby E.; García-García, Ramiro

    2013-01-01

    The crystallinity index (CI) is a measure of the percentage of crystalline material in a given sample and it is also correlated to the degree of order within the crystals. In the literature two ways are reported to measure the CI: X-ray diffraction and infrared spectroscopy. Although the CI determined by these techniques has been adopted in the field of archeology as a structural order measure in the bone with the idea that it can help e.g. in the sequencing of the bones in chronological and/or stratigraphic order, some debate remains about the reliability of the CI values. To investigate similarities and differences between the two techniques, the CI of sound human tooth enamel and synthetic hydroxyapatite (HAP) was measured in this work by X-ray diffraction (XRD) and Fourier Transform Infrared spectroscopy (FTIR), at room temperature and after heat treatment. Although the (CI) XRD index is related to the crystal structure of the samples and the (CI) FTIR index is related to the vibration modes of the molecular bonds, both indices showed similar qualitative behavior for heat-treated samples. At room temperature, the (CI) XRD value indicated that enamel is more crystalline than synthetic HAP, while (CI) FTIR indicated the opposite. Scanning (SEM) and transmission (TEM) images were also used to corroborate the measured CI values. - Highlights: • XRD and FTIR crystallinity indices for tooth enamel and synthetic HAP were obtained. • SEM and TEM images were more correlated with (CI) XRD than with (CI) FTIR . • Regardless of the temperature, (CI) XRD and (CI) FTIR showed similar behavior. • XRD and FTIR crystallinity indices resulted in a fast and qualitative measurement

  4. XRD and FTIR crystallinity indices in sound human tooth enamel and synthetic hydroxyapatite

    Energy Technology Data Exchange (ETDEWEB)

    Reyes-Gasga, José, E-mail: jreyes@fisica.unam.mx [Instituto de Física, UNAM, Circuito de la Investigación Científica s/n., Cd. Universitaria, Coyoacán 04510, México, D.F. (Mexico); Martínez-Piñeiro, Esmeralda L., E-mail: esmemapi@gmail.com [Instituto de Física, UNAM, Circuito de la Investigación Científica s/n., Cd. Universitaria, Coyoacán 04510, México, D.F. (Mexico); Rodríguez-Álvarez, Galois, E-mail: galoisborre@yahoo.com [Instituto de Física, UNAM, Circuito de la Investigación Científica s/n., Cd. Universitaria, Coyoacán 04510, México, D.F. (Mexico); Tiznado-Orozco, Gaby E., E-mail: gab0409@yahoo.com.mx [Unidad Académica de Odontología, Universidad Autónoma de Nayarit, Edificio E7, Ciudad de la Cultura “Amado Nervo”, C.P. 63190 Tepic, Nayarit (Mexico); García-García, Ramiro, E-mail: ramiro@fisica.unam.mx [Instituto de Física, UNAM, Circuito de la Investigación Científica s/n., Cd. Universitaria, Coyoacán 04510, México, D.F. (Mexico); and others

    2013-12-01

    The crystallinity index (CI) is a measure of the percentage of crystalline material in a given sample and it is also correlated to the degree of order within the crystals. In the literature two ways are reported to measure the CI: X-ray diffraction and infrared spectroscopy. Although the CI determined by these techniques has been adopted in the field of archeology as a structural order measure in the bone with the idea that it can help e.g. in the sequencing of the bones in chronological and/or stratigraphic order, some debate remains about the reliability of the CI values. To investigate similarities and differences between the two techniques, the CI of sound human tooth enamel and synthetic hydroxyapatite (HAP) was measured in this work by X-ray diffraction (XRD) and Fourier Transform Infrared spectroscopy (FTIR), at room temperature and after heat treatment. Although the (CI){sub XRD} index is related to the crystal structure of the samples and the (CI){sub FTIR} index is related to the vibration modes of the molecular bonds, both indices showed similar qualitative behavior for heat-treated samples. At room temperature, the (CI){sub XRD} value indicated that enamel is more crystalline than synthetic HAP, while (CI){sub FTIR} indicated the opposite. Scanning (SEM) and transmission (TEM) images were also used to corroborate the measured CI values. - Highlights: • XRD and FTIR crystallinity indices for tooth enamel and synthetic HAP were obtained. • SEM and TEM images were more correlated with (CI){sub XRD} than with (CI){sub FTIR}. • Regardless of the temperature, (CI){sub XRD} and (CI){sub FTIR} showed similar behavior. • XRD and FTIR crystallinity indices resulted in a fast and qualitative measurement.

  5. Application of Fourier transform infrared (FT-IR) spectroscopy in determination of microalgal compositions.

    Science.gov (United States)

    Meng, Yingying; Yao, Changhong; Xue, Song; Yang, Haibo

    2014-01-01

    Fourier transform infrared spectroscopy (FT-IR) was applied in algal strain screening and monitoring cell composition dynamics in a marine microalga Isochrysis zhangjiangensis during algal cultivation. The content of lipid, carbohydrate and protein of samples determined by traditional methods had validated the accuracy of FT-IR method. For algal screening, the band absorption ratios of lipid/amide I and carbo/amide I from FT-IR measurements allowed for the selection of Isochrysis sp. and Tetraselmis subcordiformis as the most potential lipid and carbohydrate producers, respectively. The cell composition dynamics of I. zhangjiangensis measured by FT-IR revealed the diversion of carbon allocation from protein to carbohydrate and neutral lipid when nitrogen-replete cells were subjected to nitrogen limitation. The carbo/amide I band absorption ratio had also been demonstrated to depict physiological status under nutrient stress in T. subcordiformis. FT-IR serves as a tool for the simultaneous measurement of lipid, carbohydrate, and protein content in cell. Copyright © 2013 Elsevier Ltd. All rights reserved.

  6. Ground-based FTIR retrievals of SF6 on Reunion Island

    Science.gov (United States)

    Zhou, Minqiang; Langerock, Bavo; Vigouroux, Corinne; Wang, Pucai; Hermans, Christian; Stiller, Gabriele; Walker, Kaley A.; Dutton, Geoff; Mahieu, Emmanuel; De Mazière, Martine

    2018-02-01

    SF6 total columns were successfully retrieved from FTIR (Fourier transform infrared) measurements (Saint Denis and Maïdo) on Reunion Island (21° S, 55° E) between 2004 and 2016 using the SFIT4 algorithm: the retrieval strategy and the error budget were presented. The FTIR SF6 retrieval has independent information in only one individual layer, covering the whole of the troposphere and the lower stratosphere. The trend in SF6 was analysed based on the FTIR-retrieved dry-air column-averaged mole fractions (XSF6) on Reunion Island, the in situ measurements at America Samoa (SMO) and the collocated satellite measurements (Michelson Interferometer for Passive Atmospheric Sounding, MIPAS, and Atmospheric Chemistry Experiment Fourier Transform Spectrometer, ACE-FTS) in the southern tropics. The SF6 annual growth rate from FTIR retrievals is 0.265 ± 0.013 pptv year-1 for 2004-2016, which is slightly weaker than that from the SMO in situ measurements (0.285 ± 0.002 pptv year-1) for the same time period. The SF6 trend in the troposphere from MIPAS and ACE-FTS observations is also close to the ones from the FTIR retrievals and the SMO in situ measurements.

  7. Analysis of environmental microplastics by vibrational microspectroscopy: FTIR, Raman or both?

    Science.gov (United States)

    Käppler, Andrea; Fischer, Dieter; Oberbeckmann, Sonja; Schernewski, Gerald; Labrenz, Matthias; Eichhorn, Klaus-Jochen; Voit, Brigitte

    2016-11-01

    The contamination of aquatic ecosystems with microplastics has recently been reported through many studies, and negative impacts on the aquatic biota have been described. For the chemical identification of microplastics, mainly Fourier transform infrared (FTIR) and Raman spectroscopy are used. But up to now, a critical comparison and validation of both spectroscopic methods with respect to microplastics analysis is missing. To close this knowledge gap, we investigated environmental samples by both Raman and FTIR spectroscopy. Firstly, particles and fibres >500 μm extracted from beach sediment samples were analysed by Raman and FTIR microspectroscopic single measurements. Our results illustrate that both methods are in principle suitable to identify microplastics from the environment. However, in some cases, especially for coloured particles, a combination of both spectroscopic methods is necessary for a complete and reliable characterisation of the chemical composition. Secondly, a marine sample containing particles microplastics as well as spectra quality, measurement time and handling. We show that FTIR imaging leads to significant underestimation (about 35 %) of microplastics compared to Raman imaging, especially in the size range microplastics fraction into 500-50 μm (rapid and reliable analysis by FTIR imaging) and into 50-1 μm (detailed and more time-consuming analysis by Raman imaging). Graphical Abstract Marine microplastic sample (fraction <400 μm) on a silicon filter (middle) with the corresponding Raman and IR images.

  8. Ground-based FTIR retrievals of SF6 on Reunion Island

    Directory of Open Access Journals (Sweden)

    M. Zhou

    2018-02-01

    Full Text Available SF6 total columns were successfully retrieved from FTIR (Fourier transform infrared measurements (Saint Denis and Maïdo on Reunion Island (21° S, 55° E between 2004 and 2016 using the SFIT4 algorithm: the retrieval strategy and the error budget were presented. The FTIR SF6 retrieval has independent information in only one individual layer, covering the whole of the troposphere and the lower stratosphere. The trend in SF6 was analysed based on the FTIR-retrieved dry-air column-averaged mole fractions (XSF6 on Reunion Island, the in situ measurements at America Samoa (SMO and the collocated satellite measurements (Michelson Interferometer for Passive Atmospheric Sounding, MIPAS, and Atmospheric Chemistry Experiment Fourier Transform Spectrometer, ACE-FTS in the southern tropics. The SF6 annual growth rate from FTIR retrievals is 0.265 ± 0.013 pptv year−1 for 2004–2016, which is slightly weaker than that from the SMO in situ measurements (0.285 ± 0.002 pptv year−1 for the same time period. The SF6 trend in the troposphere from MIPAS and ACE-FTS observations is also close to the ones from the FTIR retrievals and the SMO in situ measurements.

  9. Methodological effects in Fourier transform infrared (FTIR) spectroscopy: Implications for structural analyses of biomacromolecular samples

    Science.gov (United States)

    Kamnev, Alexander A.; Tugarova, Anna V.; Dyatlova, Yulia A.; Tarantilis, Petros A.; Grigoryeva, Olga P.; Fainleib, Alexander M.; De Luca, Stefania

    2018-03-01

    A set of experimental data obtained by Fourier transform infrared (FTIR) spectroscopy (involving the use of samples ground and pressed with KBr, i.e. in a polar halide matrix) and by matrix-free transmission FTIR or diffuse reflectance infrared Fourier transform (DRIFT) spectroscopic methodologies (involving measurements of thin films or pure powdered samples, respectively) were compared for several different biomacromolecular substances. The samples under study included poly-3-hydroxybutyrate (PHB) isolated from cell biomass of the rhizobacterium Azospirillum brasilense; dry PHB-containing A. brasilense biomass; pectin (natural carboxylated heteropolysaccharide of plant origin; obtained from apple peel) as well as its chemically modified derivatives obtained by partial esterification of its galacturonide-chain hydroxyl moieties with palmitic, oleic and linoleic acids. Significant shifts of some FTIR vibrational bands related to polar functional groups of all the biomacromolecules under study, induced by the halide matrix used for preparing the samples for spectroscopic measurements, were shown and discussed. A polar halide matrix used for preparing samples for FTIR measurements was shown to be likely to affect band positions not only per se, by affecting band energies or via ion exchange (e.g., with carboxylate moieties), but also by inducing crystallisation of metastable amorphous biopolymers (e.g., PHB of microbial origin). The results obtained have important implications for correct structural analyses of polar, H-bonded and/or amphiphilic biomacromolecular systems using different methodologies of FTIR spectroscopy.

  10. FTIR analysis of flue gases - combined in-situ and dry extractive gas sampling; Kombination av in-situ och kallextraktiv roekgasmaetning med FTIR

    Energy Technology Data Exchange (ETDEWEB)

    Andersson, Christer; Soederbom, J [Vattenfall Utveckling AB, Aelvkarleby (Sweden)

    1996-10-01

    Fourier Transform Infra Red (FTIR) spectroscopy is a promising and versatile technique for gas analysis which lately has moved from the laboratory to industrial applications such as emission monitoring of combustion plants. This has been made possible by recent developments of spectrometers and software. The single most important advantage of the FTIR is its capability to simultaneously analyse virtually all gas species of interest in flue gas applications. The project has studied the feasibility of using the technique as a multi-component emission monitoring system. A specific aim was to evaluate different implementations of the technique to flue gas analysis: in-situ, hot/dry and cold extraction or combinations of these. The goal was to demonstrate a system in which gas components that normally require hot extraction (NH{sub 3}, HCl, H{sub 2}O) could instead be measured in-situ. In this way potential sampling artefacts e.g. for ammonia monitoring, can be avoided. The remaining gas components are measured using cold extraction and thereby minimizing interference from water. The latter advantage can be crucial for the accuracy of e.g. NO{sub x} measurements. Prior to the project start in-situ monitoring using FTIR was, a to a large extent, an untried method. The fact that broad band IR radiation can not be guided through optical fibres, presented a major technical obstacle. An `in-situ probe` was developed to serve the purpose. The probe is equipped with a gold plated mirror at the end and is mounted on the support structure of the FTIR-spectrometer. The arrangement proved to be a robust solution without being unnecessary complex or cumbersome to use. 10 refs, 45 figs, 10 tabs

  11. Time-resolved FTIR [Fourier transform infrared] emission studies of laser photofragmentation and chain reactions

    International Nuclear Information System (INIS)

    Leone, S.R.

    1990-01-01

    Recent progress is described resulting from the past three years of DOE support for studies of combustion-related photofragmentation dynamics, energy transfer, and reaction processes using a time-resolved Fourier transform infrared (FTIR) emission technique. The FTIR is coupled to a high repetition rate excimer laser which produces radicals by photolysis to obtain novel, high resolution measurements on vibrational and rotational state dynamics. The results are important for the study of numerous radical species relevant to combustion processes. The method has been applied to the detailed study of photofragmentation dynamics in systems such as acetylene, which produces C 2 H; chlorofluoroethylene to study the HF product channel; vinyl chloride and dichloroethylene, which produce HCl; acetone, which produces CO and CH 3 ; and ammonia, which produces NH 2 . In addition, we have recently demonstrated use of the FTIR technique for preliminary studies of energy transfer events under near single collision conditions, radical-radical reactions, and laser-initiated chain reaction processes

  12. Direct detection of saponins in crude extracts of soapnuts by FTIR.

    Science.gov (United States)

    Almutairi, Meshari Saad; Ali, Muhammad

    2015-01-01

    Direct detection of saponins in soapnuts (Sapindus mukorossi) using Fourier transform infrared (FTIR) spectroscopy is investigated in this project. Potassium bromide powder was mixed with extracted powder of soapnuts and compressed to a thin pellet for examination process. The outcome of the FTIR spectra of saponin demonstrated characteristic triterpenoid saponin absorptions of OH, C = O, C-H, and C = C, while the glycoside linkages to the sapogenins were indicated by the absorptions of C-O. The significance of this study is that saponin absorption peaks are directly detectable in crude aqueous and 95% ethanol extracts of soapnuts powder using FTIR spectroscopy, thereby eliminating the need of further expensive and exhaustive purification steps. The extracts of soapnuts were screened for saponins along with controls by phytochemical tests, and advanced spectroscopic techniques such as ultra fast liquid chromatography and ultra performance liquid chromatography quadrupole-time of flight-mass spectrometry were also implemented to validate the saponins.

  13. DFT, FT-IR, FT-Raman and vibrational studies of 3-methoxyphenyl boronic acid

    Science.gov (United States)

    Patil, N. R.; Hiremath, Sudhir M.; Hiremath, C. S.

    2018-05-01

    The aim of this work is to study the possible stable, geometrical molecular structure, experimental and theoretical FT-IR and FT-Raman spectroscopic methods of 3-Methoxyphenyl boronic acid (3MPBA). FT-IR and FT-Raman spectra were recorded in the region of 4000-400 cm-1 and 40000-50 cm-1 respectively. The optimized geometric structure and vibrational wavenumbers of the title compound were searched by B3LYP hybrid density functional theory method with 6-311++G (d, p) basis set. The Selectedexperimentalbandswereassignedandcharacterizedonthebasisofthescaledtheoreticalwavenumbersby their potential energy distribution (PED) of the vibrational modes obtained from VEDA 4 program. Finally, the predicted calculation results were applied to simulated FT-IR and FT-Raman spectra of the title compound, which show agreement with the observed spectra. Whereas, it is observed that, the theoretical frequencies are more than the experimental one for O-H stretching vibration modes of the title molecule.

  14. Off-line real-time FTIR analysis of a process step in imipenem production

    Science.gov (United States)

    Boaz, Jhansi R.; Thomas, Scott M.; Meyerhoffer, Steven M.; Staskiewicz, Steven J.; Lynch, Joseph E.; Egan, Richard S.; Ellison, Dean K.

    1992-08-01

    We have developed an FT-IR method, using a Spectra-Tech Monit-IR 400 systems, to monitor off-line the completion of a reaction in real-time. The reaction is moisture-sensitive and analysis by more conventional methods (normal-phase HPLC) is difficult to reproduce. The FT-IR method is based on the shift of a diazo band when a conjugated beta-diketone is transformed into a silyl enol ether during the reaction. The reaction mixture is examined directly by IR and does not require sample workup. Data acquisition time is less than one minute. The method has been validated for specificity, precision and accuracy. The results obtained by the FT-IR method for known mixtures and in-process samples compare favorably with those from a normal-phase HPLC method.

  15. [Relationship between PMI and ATR-FTIR Spectral Changes in Swine Costal Cartilages and Ribs].

    Science.gov (United States)

    Yao, Yao; Wang, Qi; Jing, Xiao-li; Li, Bing; Zhang, Yin-ming; Wang, Zhi-jun; Li, Cheng-zhi; Lin, Han-cheng; Zhang, Ji; Huang, Ping; Wang, Zhen-yuan

    2016-02-01

    To analyze postmortem chemical changes in Landrace costal cartilages and ribs using attenuated total reflection-Fourier transform infrared (ATR-FTIR) spectroscopy, and to provide a novel technique for estimation of postmortem interval (PMI). The swines were sacrificed by hemorrhage and their costal cartilages and ribs were kept in 20 degrees C. The chemical analysis of the costal cartilages and ribs were performed using ATR-FTIR every 72 h. The correlation between the certain spectral parameters and PMI was also analyzed. The time-dependent changes of costal cartilages were more significant than ribs. There were no obvious changes for the main absorbance bands position, and some absorbance band ratios showed time-dependent changes and significant correlations with the PMI. ATR-FTIR has the ability to analyze postmortem chemical changes of the swine costal cartilages and ribs, and it can be a new method to estimate PMI based on spectroscopy.

  16. FTIR characterization of Mexican honey and its adulteration with sugar syrups by using chemometric methods

    Energy Technology Data Exchange (ETDEWEB)

    Rios-Corripio, M A; Rojas-Lopez, M; Delgado-Macuil, R [CIBA-Tlaxcala, IPN, Tlaxcala, Tlax. (Mexico); Rios-Leal, E [CINVESTAV, Zacatenco, Mexico D.F. (Mexico)

    2011-01-01

    A chemometric analysis of adulteration of Mexican honey by sugar syrups such as corn syrup and cane sugar syrup was realized. Fourier transform infrared spectroscopy (FTIR) was used to measure the absorption of a group of bee honey samples from central region of Mexico. Principal component analysis (PCA) was used to process FTIR spectra to determine the adulteration of bee honey. In addition to that, the content of individual sugars from honey samples: glucose, fructose, sucrose and monosaccharides was determined by using PLS-FTIR analysis validated by HPLC measurements. This analytical methodology which is based in infrared spectroscopy and chemometry can be an alternative technique to characterize and also to determine the purity and authenticity of nutritional products as bee honey and other natural products.

  17. FT-IR spectrum of grape seed oil and quantum models of fatty acids triglycerides

    Science.gov (United States)

    Berezin, K. V.; Antonova, E. M.; Shagautdinova, I. T.; Chernavina, M. L.; Dvoretskiy, K. N.; Grechukhina, O. N.; Vasilyeva, L. M.; Rybakov, A. V.; Likhter, A. M.

    2018-04-01

    FT-IR spectra of grape seed oil and glycerol were registered in the 650-4000 cm-1 range. Molecular models of glycerol and some fatty acids that compose the oil under study - linoleic, oleic, palmitic and stearic acids - as well as their triglycerides were developed within B3LYP/6-31G(d) density functional model. A vibrating FT-IR spectrum of grape seed oil was modeled on the basis of calculated values of vibrating wave numbers and IR intensities of the fatty acids triglycerides and with regard to their percentage. Triglyceride spectral bands that were formed by glycerol linkage vibrations were revealed. It was identified that triglycerol linkage has a small impact on the structure of fatty acids and, consequently, on vibrating wave numbers. The conducted molecular modeling became a basis for theoretical interpretation on 10 experimentally observed absorption bands in FT-IR spectrum of grape seed oil.

  18. Outdoor chamber measurements of biological aerosols with a passive FTIR spectrometer

    Science.gov (United States)

    D'Amico, Francis M.; Emge, Darren K.; Roelant, Geoffrey J.

    2004-02-01

    Outdoor measurements of dry bacillus subtilis (BG) spores were conducted with a passive Fourier transform infrared (FTIR) spectrometer using two types of chambers. One was a large open-ended cell, and the other was a canyon of similar dimensions. The canyon exposes the aerosol plume to downwelling sky radiance, while the open-ended cell does not. The goal of the experiments was to develop a suitable test methodology for evaluation of passive standoff detectors for open-air aerosol measurements. Dry BG aerosol particles were dispersed with a blower through an opening in the side of the chamber to create a pseudo-stationary plume, wind conditions permitting. Numerous trials were performed with the FTIR spectrometer positioned to view mountain, sky and mixed mountain-sky backgrounds. This paper will discuss the results of the FTIR measurements for BG and Kaolin dust releases.

  19. Prediction of Pectin Yield and Quality by FTIR and Carbohydrate Microarray Analysis

    DEFF Research Database (Denmark)

    Baum, Andreas; Dominiak, Malgorzata Maria; Vidal-Melgosa, Silvia

    2017-01-01

    and carbohydrate microarray analysis were performed directly on the crude lime peel extracts during the time course of the extractions. Multivariate analysis of the data was carried out to predict final pectin yields. Fourier transform infrared spectroscopy (FTIR) was found applicable for determining the optimal...... extraction time for the enzymatic and acidic extraction processes, respectively. The combined results of FTIR and carbohydrate microarray analysis suggested major differences in the crude pectin extracts obtained by enzymatic and acid extraction, respectively. Enzymatically extracted pectin, thus, showed......, and that FTIR and carbohydrate microarray analysis have potential to be developed into online process analysis tools for prediction of pectin extraction yields and pectin features from measurements on crude pectin extracts....

  20. Thyroid lesions diagnosis by Fourier transformed infrared absorption spectroscopy (FTIR); Diagnostico de lesoes da tireoide pela espectroscopia de absorcao no infravermelho por transformada de Fourier - FTIR

    Energy Technology Data Exchange (ETDEWEB)

    Albero, Felipe Guimaraes

    2009-07-01

    Thyroid nodules are a common disorder, with 4-7% of incidence in the Brazilian population. Although the fine needle aspiration (FNA) is an accurate method for thyroid tumors diagnosis, the discrimination between benign and malignant neoplasm is currently not possible in some cases with high incidence of false negative diagnosis, leading to a surgical intervention due to the risk of carcinomas. The aim of this study was to verify if the Fourier Transform infrared spectroscopy (FTIR) can contribute to the diagnosis of thyroid carcinomas and goiters, using samples of tissue and aspirates. Samples of FNA, homogenates and tissues of thyroid nodules with histopathological diagnosis were obtained and prepared for FTIR spectroscopy analysis. The FNA and homogenates samples were measured by {mu}-FTIR (between 950 . 1750 cm{sup -1}), at a nominal resolution of 4 cm{sup -1} and 120 scans). Tissue samples were analyzed directly by ATR-FTIR technique, at a resolution 2 cm{sup -1}, with 60 scans in the same region. All spectra were corrected by the baseline and normalized by amides area (1550-1640 cm{sup -1}) in order to minimize variations of sample homogeneity. Then, spectra were converted into second derivatives using the Savitzk-Golay algorithm with a 13 points window. The Ward's minimum variance algorithm and Euclidean distances among the points were used for cluster analysis. Some FNA samples showed complex spectral pattern. All samples showed some cell pellets and large amount of hormone, represented by the bands of 1545 and 1655 cm{sup -1}. Bands in 1409, 1412, 1414, 1578 and 1579 cm{sup -1} were also found, indicating possible presence of sugar, DNA, citric acid or metabolic products. In this study, it was obtained an excellent separation between goiter and malign lesion for the samples of tissues, with 100% of specificity in specific cluster and 67% sensibility and 50 of specificity. In homogenate and FNA samples this sensibility and specificity were lower

  1. Analysis of an Alanine/Arginine Mixture by Using TLC/FTIR Technique

    Directory of Open Access Journals (Sweden)

    Jun Liu

    2014-01-01

    Full Text Available We applied TLC/FTIR coupled with mapping technique to analyze an alanine/arginine mixture. Narrow band TLC plates prepared by using AgI as a stationary phase were used to separate alanine and arginine. The distribution of alanine and arginine spots was manifested by a 3D chromatogram. Alanine and arginine can be successfully separated by the narrow band TLC plate. In addition, the FTIR spectra of the separated alanine and arginine spots on the narrow band TLC plate are roughly the same as the corresponding reference IR spectra.

  2. Physics and forensics

    International Nuclear Information System (INIS)

    Wilkinson, T.J.; Perry, D.L.; Martin, M.C.; McKinney, W.R.

    2001-01-01

    This popular article in Physics World reviews the application of Fourier Transform Infrared Spectromicroscopy to Forensics, and predicts further applications due to the high inherent signal to noise available for FTIR microscopy at synchrotron sources

  3. Evaluation of Fungal Deterioration in Liquidambar orientalis Mill. heartwood by FT-IR and light microscopy.

    Science.gov (United States)

    Nural Yilgor; Dilek Dogu; Roderquita Moore; Evren Terzi; S. Nami Kartal

    2013-01-01

    The chemical and morphological changes in heartwood specimens of Liquidambar orientalis Mill. caused by the white-rot fungus Trametes versicolor and the brown-rot fungi Tyromyces palustris and Gloeophyllum trabeum were studied by wet chemistry, FT-IR, GC-MS analyses, and photo-...

  4. Assessment of Azithromycin in Pharmaceutical Formulation by Fourier-transform Infrared (FT-IR Transmission Spectroscopy

    Directory of Open Access Journals (Sweden)

    Muhammad Ali Mallah

    2011-12-01

    Full Text Available A simple, rapid and economical method for azithromycin quantification in solid tablet and capsule formulations has been developed by applying Fourier-transform Infrared (FT-IR transmission spectroscopy for regular quality monitoring. The newly developed method avoids the sample preparation, except grinding for pellet formation and does not involve consumption of any solvent as it absolutely eliminates the need of extraction. KBr pellets were employed for the appraisal of azithromycin while acquiring spectra of standards as well as samples on FT-IR. By selecting the FT-IR carbonyl band (C=O in the region 1,744–1,709 cm−1 the calibration model was developed based on simple Beer’s law. The excellent regression coefficient (R2 0.999 was accomplished for calibration set having standard error of calibration equal to 0.01 mg. The current work exposes that transmission FT-IR spectroscopy can definitely be applied to determine the exact amount of azithromycin to control the processing and quality of solid formulations with reduced cost and short analysis time.

  5. Quantitative analysis of Sudan dye adulteration in paprika powder using FTIR spectroscopy

    Science.gov (United States)

    The presence of Sudan dye used illegally for coloring in food stuffs has become a point of food safety concern, especially in paprika- and chili-containing food products. Fourier transform infrared (FTIR) spectroscopy has been extensively used as an analytical method for quality control and safety m...

  6. Kvantitativní FTIR spektrometrie huminových látek

    Czech Academy of Sciences Publication Activity Database

    Novák, F.; Machovič, Vladimír; Hrabalová, H.; Novotná, M.

    2017-01-01

    Roč. 111, č. 6 (2017), s. 363-373 ISSN 0009-2770 Institutional support: RVO:67985891 Keywords : FTIR * humic substances * infrared-spectroscopy * structure Subject RIV: DD - Geochemistry OBOR OECD: Analytical chemistry Impact factor: 0.387, year: 2016

  7. Applications of Micro-Fourier Transform Infrared Spectroscopy (FTIR) in the Geological Sciences—A Review

    Science.gov (United States)

    Chen, Yanyan; Zou, Caineng; Mastalerz, Maria; Hu, Suyun; Gasaway, Carley; Tao, Xiaowan

    2015-01-01

    Fourier transform infrared spectroscopy (FTIR) can provide crucial information on the molecular structure of organic and inorganic components and has been used extensively for chemical characterization of geological samples in the past few decades. In this paper, recent applications of FTIR in the geological sciences are reviewed. Particularly, its use in the characterization of geochemistry and thermal maturation of organic matter in coal and shale is addressed. These investigations demonstrate that the employment of high-resolution micro-FTIR imaging enables visualization and mapping of the distributions of organic matter and minerals on a micrometer scale in geological samples, and promotes an advanced understanding of heterogeneity of organic rich coal and shale. Additionally, micro-FTIR is particularly suitable for in situ, non-destructive characterization of minute microfossils, small fluid and melt inclusions within crystals, and volatiles in glasses and minerals. This technique can also assist in the chemotaxonomic classification of macrofossils such as plant fossils. These features, barely accessible with other analytical techniques, may provide fundamental information on paleoclimate, depositional environment, and the evolution of geological (e.g., volcanic and magmatic) systems. PMID:26694380

  8. Application of FTIR Spectroscopy and Chemometrics for Halal Authentication of Beef Meatball Adulterated with Dog Meat

    Directory of Open Access Journals (Sweden)

    Wiranti Sri Rahayu

    2018-05-01

    Full Text Available Beef meatball is one of the favorite meat-based food products among Indonesian community. Currently, beef is very expensive in Indonesian market compared to other common meat types such as chicken and lamb. This situation has intrigued some unethical meatball producers to replace or adulterate beef with lower priced-meat like dog meat. The objective of this study was to evaluate the capability of FTIR spectroscopy combined with chemometrics for identification and quantification of dog meat (DM in beef meatball (BM. Meatball samples were prepared by adding DM into BM ingredients in the range of 0–100% wt/wt and were subjected to extraction using Folch method. Lipid extracts obtained from the samples were scanned using FTIR spectrophotometer at 4000–650 cm-1. Partial least square (PLS calibration was used to quantify DM in the meatball. The results showed that combined frequency regions of 1782–1623 cm-1 and 1485-659 cm-1 using detrending treatment gave optimum prediction of DM in BM. Coefficient of determination (R2 for correlation between the actual value of DM and FTIR predicted value was 0.993 in calibration model and 0.995 in validation model. The root mean square error of calibration (RMSEC and standard error of cross validation (SECV were 1.63% and 2.68%, respectively. FTIR spectroscopy combined with multivariate analysis can serve as an accurate and reliable method for analysis of DM in meatball.

  9. Limitations and potential of spectral subtractions in fourier-transform infrared (FTIR) spectroscopy of soil samples

    Science.gov (United States)

    Soil science research is increasingly applying Fourier transform infrared (FTIR) spectroscopy for analysis of soil organic matter (SOM). However, the compositional complexity of soils and the dominance of the mineral component can limit spectroscopic resolution of SOM and other minor components. The...

  10. ANN-based calibration model of FTIR used in transformer online monitoring

    Science.gov (United States)

    Li, Honglei; Liu, Xian-yong; Zhou, Fangjie; Tan, Kexiong

    2005-02-01

    Recently, chromatography column and gas sensor have been used in online monitoring device of dissolved gases in transformer oil. But some disadvantages still exist in these devices: consumption of carrier gas, requirement of calibration, etc. Since FTIR has high accuracy, consume no carrier gas and require no calibration, the researcher studied the application of FTIR in such monitoring device. Experiments of "Flow gas method" were designed, and spectrum of mixture composed of different gases was collected with A BOMEM MB104 FTIR Spectrometer. A key question in the application of FTIR is that: the absorbance spectrum of 3 fault key gases, including C2H4, CH4 and C2H6, are overlapped seriously at 2700~3400cm-1. Because Absorbance Law is no longer appropriate, a nonlinear calibration model based on BP ANN was setup to in the quantitative analysis. The height absorbance of C2H4, CH4 and C2H6 were adopted as quantitative feature, and all the data were normalized before training the ANN. Computing results show that the calibration model can effectively eliminate the cross disturbance to measurement.

  11. Combination of FTIR and SEM for Identifying Freshwater-Cultured Pearls from Different Quality

    Science.gov (United States)

    Satitkune, Somruedee; Monarumit, Natthapong; Boonmee, Chakkrich; Phlayrahan, Aumaparn; Promdee, Kittiphop; Won-in, Krit

    2016-03-01

    The freshwater-cultured pearl ( Chamberlainia hainesiana species) is an organic gemstone mainly composed of calcium carbonate mineral including calcite, aragonite and vaterite phases. Generally, the quality of freshwater-cultured pearl is based on its luster. The high luster pearl is full of the aragonite phase without vaterite phase. On the other hand, the low luster pearl consists of aragonite and vaterite phases. These data could be proved by the Fourier Transform Infrared (FTIR) spectroscopy combined with the scanning electron microscopy (SEM). As the results, the high luster pearl similarly shows the FTIR spectrum of aragonite phase, and also, it shows the hexagonal shape of aragonite for the SEM image. On the other hand, the FTIR spectrum of low luster pearl has been pointed to the mixture component among aragonite and vaterite phases, and based on the SEM image; the irregular form is also interpreted to the mixture of aragonite and vaterite phases. This research concludes that the quality of freshwater-cultured pearls can be identified by the combination data of FTIR spectra and SEM images. These techniques are suitable for applied gemology.

  12. Using FTIR-photoacoustic spectroscopy for phosphorus speciation analysis of biochars

    DEFF Research Database (Denmark)

    Bekiaris, Georgios; Peltre, Clément; Jensen, Lars Stoumann

    2016-01-01

    In the last decade, numerous studies have evaluated the benefits of biochar for improving soil quality. The purposes of the current study were to use Fourier transform infrared-photoacoustic spectroscopy (FTIR-PAS) to analyse P species in biochar and to determine the effect of pyrolysis temperatu...

  13. TG-FTIR Study of the Influence of potassium Chloride on Wheat Straw Pyrolysis

    DEFF Research Database (Denmark)

    Jensen, Anker; Dam-Johansen, Kim; Wójtowicz, M.A.

    1998-01-01

    of products into char, tar and gas. In this work, a combination of thermogravimetry and evolved gas analysis by Fourier transform infrared analysis (TG-FTIR) has been applied to study the influence of potassium chloride (KCl) on wheat straw pyrolysis. Raw straw, washed straw and washed straw impregnated...

  14. Interaction of procyanidin B-3 with membrane lipids Fluorescence, DSC and FTIR studies

    Czech Academy of Sciences Publication Activity Database

    Cyboran-Mikolajczyk, S.; Zylka, R.; Jurkiewicz, Piotr; Pruchnik, H.; Oszmianski, J.; Hof, M.; Kleszczynska, H.

    2017-01-01

    Roč. 1859, č. 8 (2017), s. 1362-1371 ISSN 0005-2736 Institutional support: RVO:61388955 Keywords : FTIR * Fluidity * Hydration * dmpc Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 3.498, year: 2016

  15. In-situ ATR-FTIR for characterization of thin biorelated polymer films

    International Nuclear Information System (INIS)

    Müller, M.; Torger, B.; Bittrich, E.; Kaul, E.; Ionov, L.; Uhlmann, P.; Stamm, M.

    2014-01-01

    We present and review in-situ-attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopic data from thin biorelated polymer films useful for the modification and functionalization of polymer and inorganic materials and discuss their applications related to life sciences. A special ATR mirror attachment operated by the single-beam-sample-reference (SBSR) concept and housing a homebuilt thermostatable flow cell was used, which allows for appropriate background compensation and signal to noise ratio. ATR-FTIR data on the reactive deposition of dopamine on inorganic model surfaces are shown. Information on the structure and deposition pathway for such bioinspired melanin-like films is provided. ATR-FTIR data on thermosensitive polymer brushes of poly(N-isopropylacrylamide) (PNIPAAM) is then presented. The thermotropic hydration and hydrogen bonding behavior of PNIPAAM brush films is described. Finally, ATR-FTIR data on biorelated polyelectrolyte multilayers (PEM) are given together with details on PEM growth and detection. Applications of these latter films for biopassivation/activation and local drug delivery are addressed

  16. The application of FT-IR spectrum method in photocuring process for polyester acrylate

    International Nuclear Information System (INIS)

    Cao Jin; Lu Xianliang; Zhang Zhenli

    1995-01-01

    This paper describes that the UV curing process of polyester acrylate can be monitored by measuring the degree of double bonds conversion with FT-IR spectroscopy. The various factors effect the UV curing rate. The relation between the curing rate and the concentration of photoinitiator, crosslinking agent, UV light intensity was discussed. (author)

  17. Stability studies and degradation analysis of plastic solar cell materials by FTIR spectroscopy

    NARCIS (Netherlands)

    Neugebauer, H.; Brabec, C.J.; Hummelen, J.C.; Janssen, R.A.J.; Sariciftci, N.S.

    1999-01-01

    Results of controlled degradation experiments performed with the individual components and with the actual mixture used in plastic solar cells are shown. A testing procedure for the stability and for degradation effects under illumination in controlled atmosphere using FTIR-ATR spectroscopy is

  18. Applications of Micro-Fourier Transform Infrared Spectroscopy (FTIR in the Geological Sciences—A Review

    Directory of Open Access Journals (Sweden)

    Yanyan Chen

    2015-12-01

    Full Text Available Fourier transform infrared spectroscopy (FTIR can provide crucial information on the molecular structure of organic and inorganic components and has been used extensively for chemical characterization of geological samples in the past few decades. In this paper, recent applications of FTIR in the geological sciences are reviewed. Particularly, its use in the characterization of geochemistry and thermal maturation of organic matter in coal and shale is addressed. These investigations demonstrate that the employment of high-resolution micro-FTIR imaging enables visualization and mapping of the distributions of organic matter and minerals on a micrometer scale in geological samples, and promotes an advanced understanding of heterogeneity of organic rich coal and shale. Additionally, micro-FTIR is particularly suitable for in situ, non-destructive characterization of minute microfossils, small fluid and melt inclusions within crystals, and volatiles in glasses and minerals. This technique can also assist in the chemotaxonomic classification of macrofossils such as plant fossils. These features, barely accessible with other analytical techniques, may provide fundamental information on paleoclimate, depositional environment, and the evolution of geological (e.g., volcanic and magmatic systems.

  19. Acidic and Catalytic Properties of Mo-MCM-22 in Methane Aromatization: An FTIR Study

    Czech Academy of Sciences Publication Activity Database

    Sobalík, Zdeněk; Tvarůžková, Zdenka; Wichterlová, Blanka; Fíla, V.; Špatenka, Š.

    2003-01-01

    Roč. 253, - (2003), s. 271-282 ISSN 0926-860X R&D Projects: GA ČR GA104/99/0432 Institutional research plan: CEZ:AV0Z4040901 Keywords : methane aromatization * FTIR technique * MCM-22 Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.825, year: 2003

  20. Diamond/carbon nanotube composites: Raman, FTIR and XPS spectroscopic studies

    Czech Academy of Sciences Publication Activity Database

    Varga, Marián; Ižák, Tibor; Vretenár, V.; Kozak, Halyna; Holovský, Jakub; Artemenko, Anna; Hulman, M.; Skákalová, V.; Lee, D. S.; Kromka, Alexander

    2016-01-01

    Roč. 111, Jan (2016), s. 54-61 ISSN 0008-6223 R&D Projects: GA ČR GC15-22102J; GA MŠk(CZ) 7AMB14SK037 Institutional support: RVO:68378271 Keywords : diamond * carbon nanotubes * spectroscopy * Raman * FTIR * XPS Subject RIV: JI - Composite Materials Impact factor: 6.337, year: 2016

  1. Advanced sampling techniques for hand-held FT-IR instrumentation

    Science.gov (United States)

    Arnó, Josep; Frunzi, Michael; Weber, Chris; Levy, Dustin

    2013-05-01

    FT-IR spectroscopy is the technology of choice to identify solid and liquid phase unknown samples. The challenging ConOps in emergency response and military field applications require a significant redesign of the stationary FT-IR bench-top instruments typically used in laboratories. Specifically, field portable units require high levels of resistance against mechanical shock and chemical attack, ease of use in restrictive gear, extreme reliability, quick and easy interpretation of results, and reduced size. In the last 20 years, FT-IR instruments have been re-engineered to fit in small suitcases for field portable use and recently further miniaturized for handheld operation. This article introduces the HazMatID™ Elite, a FT-IR instrument designed to balance the portability advantages of a handheld device with the performance challenges associated with miniaturization. In this paper, special focus will be given to the HazMatID Elite's sampling interfaces optimized to collect and interrogate different types of samples: accumulated material using the on-board ATR press, dispersed powders using the ClearSampler™ tool, and the touch-to-sample sensor for direct liquid sampling. The application of the novel sample swipe accessory (ClearSampler) to collect material from surfaces will be discussed in some detail. The accessory was tested and evaluated for the detection of explosive residues before and after detonation. Experimental results derived from these investigations will be described in an effort to outline the advantages of this technology over existing sampling methods.

  2. Study of cancer cell lines with Fourier transform infrared (FTIR)/vibrational absorption (VA) spectroscopy

    DEFF Research Database (Denmark)

    Uceda Otero, E. P.; Eliel, G. S. N.; Fonseca, E. J. S.

    2013-01-01

    In this work we have used Fourier transform infrared (FTIR) / vibrational absorption (VA) spectroscopy to study two cancer cell lines: the Henrietta Lacks (HeLa) human cervix carcinoma and 5637 human bladder carcinoma cell lines. Our goal is to experimentally investigate biochemical changes...

  3. Distinction of broken cellular wall Ganoderma lucidum spores and G. lucidum spores using FTIR microspectroscopy

    Science.gov (United States)

    Chen, Xianliang; Liu, Xingcun; Sheng, Daping; Huang, Dake; Li, Weizu; Wang, Xin

    2012-11-01

    In this paper, FTIR microspectroscopy was used to identify broken cellular wall Ganoderma lucidum spores and G. lucidum spores. For IR spectra, broken cellular wall G. lucidum spores and G. lucidum spores were mainly different in the regions of 3000-2800, 1660-1600, 1400-1200 and 1100-1000 cm-1. For curve fitting, the results showed the differences in the protein secondary structures and the polysaccharide structures/content between broken cellular wall G. lucidum spores and G. lucidum spores. Moreover, the value of A1078/A1741 might be a potentially useful factor to distinguish broken cellular wall G. lucidum spores from G. lucidum spores. Additionally, FTIR microspectroscopy could identify broken cellular wall G. lucidum spores and G. lucidum spores accurately when it was combined with hierarchical cluster analysis. The result suggests FTIR microspectroscopy is very simple and efficient for distinction of broken cellular wall G. lucidum spores and G. lucidum spores. The result also indicates FTIR microspectroscopy may be useful for TCM identification.

  4. Multivariate analysis of ATR-FTIR spectra for assessment of oil shale organic geochemical properties

    Science.gov (United States)

    Washburn, Kathryn E.; Birdwell, Justin E.

    2013-01-01

    In this study, attenuated total reflectance (ATR) Fourier transform infrared spectroscopy (FTIR) was coupled with partial least squares regression (PLSR) analysis to relate spectral data to parameters from total organic carbon (TOC) analysis and programmed pyrolysis to assess the feasibility of developing predictive models to estimate important organic geochemical parameters. The advantage of ATR-FTIR over traditional analytical methods is that source rocks can be analyzed in the laboratory or field in seconds, facilitating more rapid and thorough screening than would be possible using other tools. ATR-FTIR spectra, TOC concentrations and Rock–Eval parameters were measured for a set of oil shales from deposits around the world and several pyrolyzed oil shale samples. PLSR models were developed to predict the measured geochemical parameters from infrared spectra. Application of the resulting models to a set of test spectra excluded from the training set generated accurate predictions of TOC and most Rock–Eval parameters. The critical region of the infrared spectrum for assessing S1, S2, Hydrogen Index and TOC consisted of aliphatic organic moieties (2800–3000 cm−1) and the models generated a better correlation with measured values of TOC and S2 than did integrated aliphatic peak areas. The results suggest that combining ATR-FTIR with PLSR is a reliable approach for estimating useful geochemical parameters of oil shales that is faster and requires less sample preparation than current screening methods.

  5. Antioxidant activity and FT-IR analysis of Datura innoxia and Datura ...

    African Journals Online (AJOL)

    Materials and Methods: Determination of total phenolic content and total flavonoid content and antioxidant activity in terms of total antioxidant assay, ABTS assay, DPPH assay and in-vitro lipid peroxidation inhibiting activity were determined along with the FT-IR (Fourier transform infrared spectroscopy) analysis of the ...

  6. Distinction of broken cellular wall Ganoderma lucidum spores and G. lucidum spores using FTIR microspectroscopy.

    Science.gov (United States)

    Chen, Xianliang; Liu, Xingcun; Sheng, Daping; Huang, Dake; Li, Weizu; Wang, Xin

    2012-11-01

    In this paper, FTIR microspectroscopy was used to identify broken cellular wall Ganoderma lucidum spores and G. lucidum spores. For IR spectra, broken cellular wall G. lucidum spores and G. lucidum spores were mainly different in the regions of 3000-2800, 1660-1600, 1400-1200 and 1100-1000 cm(-1). For curve fitting, the results showed the differences in the protein secondary structures and the polysaccharide structures/content between broken cellular wall G. lucidum spores and G. lucidum spores. Moreover, the value of A1078/A1741 might be a potentially useful factor to distinguish broken cellular wall G. lucidum spores from G. lucidum spores. Additionally, FTIR microspectroscopy could identify broken cellular wall G. lucidum spores and G. lucidum spores accurately when it was combined with hierarchical cluster analysis. The result suggests FTIR microspectroscopy is very simple and efficient for distinction of broken cellular wall G. lucidum spores and G. lucidum spores. The result also indicates FTIR microspectroscopy may be useful for TCM identification. Copyright © 2012 Elsevier B.V. All rights reserved.

  7. Rapid examination of the kinetic process of intramolecular lactamization of gabapentin using DSC-FTIR

    International Nuclear Information System (INIS)

    Hsu, C.-H.; Lin, S.-Y.

    2009-01-01

    The thermal stability and thermodynamics of gabapentin (GBP) in the solid state were investigated by DSC and TG techniques, and FTIR microspectroscopy. The detailed intramolecular lactamization process of GBP to form gabapentin-lactam (GBP-L) was also determined by thermal FTIR microspectroscopy. GBP exhibited a DSC endothermic peak at 169 deg. C. The weight loss in TG curve of GBP suggested that the evaporation process of water liberated via intramolecular lactamization was simultaneously combined with the evaporation process of GBP-L having a DSC endothermic peak at 91 deg. C. A thermal FTIR microspectroscopy clearly evidenced the IR spectra at 3350 cm -1 for water liberated and at 1701 cm -1 for lactam structure formed due to the lactam formation of GBP. This study indicates that the activation energy for combined processes of intramolecular lactamization of GBP and evaporation of GBP-L was about 114.3 ± 23.3 kJ/mol, but for the evaporation of GBP-L alone was 76.2 ± 1.5 kJ/mol. A powerful simultaneous DSC-FTIR combined technique was easily used to quickly examine the detailed kinetic processes of intramolecular cyclization of GPB and evaporation of GBP-L in the solid state

  8. Human papillomavirus detection using PCR and ATR-FTIR for cervical cancer screening

    Science.gov (United States)

    Rymsza, Taciana; Ribeiro, Eliane Aline; de Carvalho, Luis Felipe das Chagas e. Silva; Bhattacharjee, Tanmoy; de Azevedo Canevari, Renata

    2018-05-01

    The human papillomavirus (HPV) genital infection is considered one of the most common sexually transmitted diseases worldwide, and has been associated with cervical cancer. The objective of this study was to investigate the efficacy of the diagnostic methods: polymerase chain reaction (PCR) and Fourier transform infrared (FTIR) equipped with an ATR (Attenuated Total Reflectance) unit (Pike Tech) spectroscopy, to diagnose HPV infection in women undergoing gynecological examination. Seventeen patients (41.46%) of the 41 patients analyzed were diagnosed with exophytic/condyloma acuminate lesions by clinical analysis, 29 patients (70.7%) (G1 group) of the 41 patients, showed positive result for HPV cell injury by oncotic colpocitology and 12 patients (29.3%) (G2 group), presented negative result for cellular lesion and absence of clinical HPV lesion. Four samples were obtained per patient, which were submitted oncotic colpocitology analysis (Papanicolau staining, two samples), PCR (one sample) and ATR-FTIR analysis (one sample). L1 gene was amplified by PCR technique with specific GP5+/GP6+ and MY09/MY11 primers. PCR results were uniformly positive for presence of HPV in all analyzed samples. Multivariate analysis of ATR-FTIR spectra suggests no significant biochemical changes between groups and no clustering formed, concurring with results of PCR. This study suggests that PCR and ATR-FTIR are highly sensitive technique for HPV detection.

  9. Hydration induced material transfer in membranes of osmotic pump tablets measured by synchrotron radiation based FTIR.

    Science.gov (United States)

    Wu, Li; Yin, Xianzhen; Guo, Zhen; Tong, Yajun; Feng, Jing; York, Peter; Xiao, Tiqiao; Chen, Min; Gu, Jingkai; Zhang, Jiwen

    2016-03-10

    Osmotic pump tablets are reliable oral controlled drug delivery systems based on their semipermeable membrane coating. This research used synchrotron radiation-based Fourier transform infrared (SR-FTIR) microspectroscopy and imaging to investigate the hydration induced material transfer in the membranes of osmotic pump tablets. SR-FTIR was applied to record and map the chemical information of a micro-region of the membranes, composed of cellulose acetate (CA, as the water insoluble matrix) and polyethylene glycol (PEG, as the soluble pore forming agent and plasticizing agent). The microstructure and chemical change of membranes hydrated for 0, 5, 10 and 30min were measured using SR-FTIR, combined with scanning electronic microscopy and atom force microscopy. The SR-FTIR microspectroscopy results indicated that there was a major change at the absorption range of 2700-3100cm(-1) in the membranes after different periods of hydration time. The absorption bands at 2870-2880cm(-1) and 2950-2960cm(-1) were assigned to represent CA and PEG, respectively. The chemical group signal distribution illustrated by the ratio of PEG to CA demonstrated that the trigger of drug release in the preliminary stage was due to the rapid transfer of PEG into liquid medium with a sharp decrease of PEG in the membranes. The SR-FTIR mapping results have demonstrated the hydration induced material transfer in the membranes of osmotic pump tablets and enabled reassessment of the drug release mechanism of membrane controlled osmotic pump systems. Copyright © 2016 Elsevier B.V. All rights reserved.

  10. Collaborative Student Laboratory Exercise Using FT-IR Spectroscopy for the Kinetics Study of a Biotin Analogue

    Science.gov (United States)

    Leong, Jhaque; Ackroyd, Nathan C.; Ho, Karen

    2014-01-01

    The synthesis of N-methoxycarbonyl-2-imidazolidone, an analogue of biotin, was conducted by organic chemistry students and confirmed using FT-IR and H NMR. Spectroscopy students used FT-IR to measure the rate of hydrolysis of the product and determined the rate constant for the reaction using the integrated rate law. From the magnitude of the rate…

  11. Using MicroFTIR to Map Mineral Distributions in Serpentinizing Systems

    Science.gov (United States)

    Johnson, A.; Kubo, M. D.; Cardace, D.

    2016-12-01

    Serpentinization, the water-rock reaction forming serpentine mineral assemblages from ultramafic precursors, can co-occur with the production of hydrogen, methane, and diverse organic compounds (McCollom and Seewald, 2013), evolving water appropriate for carbonate precipitation, including in ophiolite groundwater flow systems and travertine-producing seeps/springs. Serpentinization is regarded as a geologic process important to the sustainability of the deep biosphere (Schrenk et al., 2013) and the origin of life (Schulte et al., 2006). In this study, we manually polished wafers of ultramafic rocks/associated minerals (serpentinite, peridotite, pyroxenite, dunite; olivine, diopside, serpentine, magnetite), and travertine/constituent minerals (carbonate crusts; calcite, dolomite), and observed mineral boundaries and interfaces using µFTIR analysis in reflection mode. We used a Thermo Nicolet iS50 FTIR spectrometer coupled with a Continuum IR microscope to map minerals/boundaries. We identify, confirm, and document FTIR wavenumber regions linked to serpentinite- and travertine-associated minerals by referencing IR spectra (RRUFF) and aligning with x-ray diffraction. The ultramafic and carbonate samples are from the following field localities: McLaughlin Natural Reserve - a UC research reserve, Lower Lake, CA; Zambales, PH; Ontario, CA; Yellow Dog, MI; Taskesti, TK; Twin Sisters Range, WA; Sharon, MA; Klamath Mountains, CA; Dun Mountain, NZ; and Sussex County, NJ. Our goals are to provide comprehensive µFTIR characterization of mineral profiles important in serpentinites and related rocks, and evaluate the resolving power of µFTIR for the detection of mineral-encapsulated, residual organic compounds from biological activity. We report on µFTIR data for naturally occurring ultramafics and travertines and also estimate the limit of detection for cell membrane components in mineral matrices, impregnating increasing mass proportions of xanthan gum in a peridotite sand

  12. Validation of the CrIS fast physical NH3 retrieval with ground-based FTIR

    Directory of Open Access Journals (Sweden)

    E. Dammers

    2017-07-01

    Full Text Available Presented here is the validation of the CrIS (Cross-track Infrared Sounder fast physical NH3 retrieval (CFPR column and profile measurements using ground-based Fourier transform infrared (FTIR observations. We use the total columns and profiles from seven FTIR sites in the Network for the Detection of Atmospheric Composition Change (NDACC to validate the satellite data products. The overall FTIR and CrIS total columns have a positive correlation of r  =  0.77 (N  =  218 with very little bias (a slope of 1.02. Binning the comparisons by total column amounts, for concentrations larger than 1.0  ×  1016 molecules cm−2, i.e. ranging from moderate to polluted conditions, the relative difference is on average ∼ 0–5 % with a standard deviation of 25–50 %, which is comparable to the estimated retrieval uncertainties in both CrIS and the FTIR. For the smallest total column range (< 1.0  × 1016 molecules cm−2 where there are a large number of observations at or near the CrIS noise level (detection limit the absolute differences between CrIS and the FTIR total columns show a slight positive column bias. The CrIS and FTIR profile comparison differences are mostly within the range of the single-level retrieved profile values from estimated retrieval uncertainties, showing average differences in the range of  ∼ 20 to 40 %. The CrIS retrievals typically show good vertical sensitivity down into the boundary layer which typically peaks at  ∼ 850 hPa (∼ 1.5 km. At this level the median absolute difference is 0.87 (std  =  ±0.08 ppb, corresponding to a median relative difference of 39 % (std  =  ±2 %. Most of the absolute and relative profile comparison differences are in the range of the estimated retrieval uncertainties. At the surface, where CrIS typically has lower sensitivity, it tends to overestimate in low-concentration conditions and underestimate

  13. Signal-to-noise ratio of FT-IR CO gas spectra

    DEFF Research Database (Denmark)

    Bak, J.; Clausen, Sønnik

    1999-01-01

    in emission and transmission spectrometry, an investigation of the SNR in CO gas spectra as a function of spectral resolution has been carried out. We present a method to (1) determine experimentally the SNR at constant throughput, (2) determine the SNR on the basis of measured noise levels and Hitran......The minimum amount of a gaseous compound which can be detected and quantified with Fourier transform infrared (FT-IR) spectrometers depends on the signal-to-noise ratio (SNR) of the measured gas spectra. In order to use low-resolution FT-IR spectrometers to measure combustion gases like CO and CO2...... simulated signals, and (3) determine the SNR of CO from high to low spectral resolutions related to the molecular linewidth and vibrational-rotational lines spacing. In addition, SNR values representing different spectral resolutions but scaled to equal measurement times were compared. It was found...

  14. Application of FTIR Spectrometry Using Multivariate Analysis For Prediction Fuel in Engine Oil

    Directory of Open Access Journals (Sweden)

    Marie Sejkorová

    2017-01-01

    Full Text Available This work presents the potentiality of partial least squares (PLS regression associated with Fourier transform infrared spectroscopy (FTIR spectrometry for detecting penetration of diesel fuel into the mineral engine oil SAE 15W‑40 in the concentration range from 0 % to 9.5 % (w/w. As a best practice has proven FTIR‑PLS model, which uses the data file in the spectral range 835 – 688 cm−1.The quality of the model was evaluated using the root mean square error of calibration (RMSEC and cross validation (RMSECV. A correlation coefficient R = 0.999 and values of RMSEC, RMSECV were obtained 0.11 % and 0.38 % respectively. After the calibration of the FTIR spectrometer, the contamination engine oil with diesel fuel could be obtained in 1 – 2 min per sample.

  15. Reconciling FTIR Spectroscopy with Top-off Operations at the Advanced Light Source

    International Nuclear Information System (INIS)

    Vernoud, Laetitia; Bechtel, Hans A.; Borondics, Ferenc; Martin, Michael C.

    2009-01-01

    Top-off operations is a quasi-continuous injection mode that increases the flux and brightness of a synchrotron source and improves thermal stability of optical components by maintaining a constant current in the storage ring. Although the increased and constant flux is advantageous for FTIR measurements, the frequent injections (about one every 30 seconds in the ALS case) introduce artifacts into the spectrum by creating spikes in the interferogram data. These spikes are caused by brief beam motion during the injection event. Here, we describe our efforts to minimize the effects of top-off generated interferogram spikes on several FTIR spectrometers. They include using a fast feedback mirror system to correct for beam motion and a gating signal to inhibit interferogram collection during a top-off injection.

  16. Distinction of leukemia patients' and healthy persons' serum using FTIR spectroscopy

    Science.gov (United States)

    Sheng, Daping; Liu, Xingcun; Li, Weizu; Wang, Yuchan; Chen, Xianliang; Wang, Xin

    2013-01-01

    In this paper, FTIR spectroscopy was applied to compare the serum from leukemia patients with the serum from healthy persons. IR spectra of leukemia patients' serum were similar with IR spectra of healthy persons' serum, and they were all made up of proteins, lipids and nucleic acids, etc. In order to identify leukemia patients' serum and healthy persons' serum, the H1075/H1542, H1045/H1467, H2959/H2931 ratios were measured. The H2959/H2931 ratio had the highest significant difference among these ratios and might be a useful factor for identifying leukemia patients' serum and healthy persons' serum. Furthermore, from curve fitting, the RNA/DNA (A1115/A1028) ratios were observed to be lower in leukemia patients' serum than those in healthy persons' serum. The results indicated FTIR spectroscopic study of serum might be a useful tool in the field of leukemia research and diagnosis.

  17. Characteristic Study of Some Different Kinds of Coal Particles Combustion with Online TG-MS-FTIR

    Science.gov (United States)

    Pan, Guanfu

    2018-01-01

    Four kinds of pulverized coal samples from China and Indonesia were studied by thermogravimetry coupled with mass spectrometry and fourier transform infrared spectroscopy (TG-MS-FTIR). The thermal behaviors and gaseous emissions of these coals were analyzed in this work. The results indicate that the relative lower values of H/C ratios, which normally represent the degree of aromatization and ring condensation in coal samples, could lead to the relative more intense thermal reaction. The time-evolved profiles of some typical gas products (i.e., CO, SO2, CH4, NO, NO2, NH3 and etc.) were provided by TG-MS-FTIR, and their variations are different. For all the samples, the releases of SO2 and COS can be found at lower temperature than those of NO and CO. As the temperature increases, the possible conversion of NO2 and NH3 to NO is deduced in this work.

  18. A FTIR study water in membrane of nitrocellulose prepared by phase inversion

    International Nuclear Information System (INIS)

    Benosmane, N.; Boutemeur, B.; Hamdi, M.

    2004-01-01

    Full text.Cellulose derivates were the first biopolymers used to produce synthesis membranes for technical applications, in this study the state of water in asymmetric membrane of nitrocellulose, prepared by the phase inversion process, was investigated using infrared spectroscopy (FTIR), after membrane preparation by the wet inversion process in acetone, the spectre FTIR of wet asymmetric membrane of nitrocellulose after immersion in water (after one week) is compared to the spectre of dried asymmetric membrane of nitrocellulose, the difference in spectre of dried and wet membrane indicate a weakly hydrogen-bonded to the polymer hydroxyl groups between water and hydroxyl groups in surface of membrane, the results demonstrate the amount of water species present in the surface of asymmetric membrane and heterogeneous of surface

  19. FTIR Analysis of Phenolic Compound as Pancreatic Lipase Inhibitor from Inoculated Aquilaria Malaccensis

    International Nuclear Information System (INIS)

    Nur Fahana Jamahseri; Miradatul Najwa Mohd Rodhi; Nur Hidayah Zulkarnain; Nursyuhada Che Husain; Ahmad Fakhri Syahmi Masruddin

    2014-01-01

    This research aimed to discover the potential of inoculated Aquilaria malaccensis extract as a new and safe lipase inhibitor. The phenolic compounds in this plant are expected to promote inhibitory activity towards pancreatic lipase enzyme. Inoculated Aquilaria malaccensis was selected for this research, wherein the parts of this species (bark and leaves) were extracted via hydro distillation process. The extracts of this plant which are hydrosol, oil, and leaves were analyzed for phyto chemical compound via Fourier Transform Infrared Spectroscopy (FTIR). FTIR analysis of the extracts of inoculated Aquilaria malccensis revealed the presence of hydroxyl functional group in both leaves and hydrosol extracts but absence in oil. This validate the presence of phenolic compound in hydrosol and leaves extract. Therefore, the leaves and hydrosol extracts have potential as an anti-obesity agent by inhibiting pancreatic lipase. (author)

  20. Prediction of the lifetime of nitrile-butadiene rubber by FT-IR.

    Science.gov (United States)

    Kawashima, Tetsuya; Ogawa, Toshio

    2005-12-01

    A quantitative measurement method with FT-IR was proposed for a thermal degradation analysis of nitrile-butadiene rubber (NBR). An NBR film was prepared as a model sample on a barium fluoride (BaF2) crystal plate, which was subjected to a heat treatment. The absorbances of various functional groups were measured directly by FT-IR after thermal degradation at high temperatures. By measuring the absorbances, it was possible to readily determine quantitatively each of the functional groups after the degradation of NBR. By assuming that the NBR lifetime was the point at which the absorbance of a carbon-carbon double bond reaches 45% of that prior to thermal treatment, a method for predicting the lifetime of NBR heated below 150 degrees C was proposed, by using an Arrhenius plot of the heating time versus heating temperature.

  1. Karakteristik Beberapa Jenis Antibiotik Berdasarkan Pola Difraksi Sinar-X (XRD Dan Spektrum FTIR

    Directory of Open Access Journals (Sweden)

    Mirzan T Razzak

    2017-03-01

    Full Text Available Telah dilakukan pengukuran karakteristik difraksi sinar-x (XRD terhadap beberapa jenisantibiotik. Penelitian ini bertujuan untuk memahami karakteristik difraksi sinar-x suatuantibiotik sebagai upaya untuk identifikasi antibiotik secara cepat. Dalam penelitian ini diamatikarakteristik difraksi sinar-x dari 15 (lima belas antibiotik yang tersedia di pasaran. SpektrumXRD diukur pada sudut 2 antara 5 – 75 untuk dibandingkan dan dievaluasi mengenai bentukkristalnya. Selanjutnya diukur pula spektrum XRD dari pencampuran antibiotik dengan tepungtapioka. Pengukuran spektrum infrared dengan FTIR juga dilakukan untuk menguji konsistensihasil evaluasi spektrum XRD. Hasil penelitian menunjukkan bahwa amoxicillin dan ampicillinmempunyai struktur kristal yang sama, yaitu orthorombic primitif. Sayangnya baik XRDmaupun FTIR, tidak memberikan nilai kuantitatif pada antibiotik. Oleh sebab itu, perbedaankonsentrasi dengan pencampuran tepung tapioka tidak dapat dideteksi. Walaupun demikian,metode ini terbukti dapat digunakan untuk membedakan komposisi zat penyusun antibiotiksecara cepat dan akurat.

  2. Identification Content of the Red Dragon Fruit Extract Skin Using Fourier Transform Infrared (FTIR and Phytochemistry

    Directory of Open Access Journals (Sweden)

    Muhammad Ilham Noor

    2016-08-01

    Full Text Available Corrosion is a decline in the quality of the metal due to electrochemical reaction between the metal by a corrosive medium. One effort to reduce the rate of corrosion is by adding inhibitors. Organic inhibitors that can be used include antioxidants and vitamin C. To determine both the content of the test method is used Fourier Transform Infrared (FTIR and phytochemicals. FTIR is a method to measure used to determine the group and the type of bonding of a compound based on the value of the wave number of a plant. Phytochemical screening is a test of the qualitative secondary metabolites biologically active compounds found in plants. In this study used a sample of red dragon fruit. The results of the analysis provide information regarding the types of biologically active compounds and levels of the active compound contained in the red dragon fruit.

  3. Application of FT-IR Classification Method in Silica-Plant Extracts Composites Quality Testing

    Science.gov (United States)

    Bicu, A.; Drumea, V.; Mihaiescu, D. E.; Purcareanu, B.; Florea, M. A.; Trică, B.; Vasilievici, G.; Draga, S.; Buse, E.; Olariu, L.

    2018-06-01

    Our present work is concerned with the validation and quality testing efforts of mesoporous silica - plant extracts composites, in order to sustain the standardization process of plant-based pharmaceutical products. The synthesis of the silica support were performed by using a TEOS based synthetic route and CTAB as a template, at room temperature and normal pressure. The silica support was analyzed by advanced characterization methods (SEM, TEM, BET, DLS and FT-IR), and loaded with Calendula officinalis and Salvia officinalis standardized extracts. Further desorption studies were performed in order to prove the sustained release properties of the final materials. Intermediate and final product identification was performed by a FT-IR classification method, using the MID-range of the IR spectra, and statistical representative samples from repetitive synthetic stages. The obtained results recommend this analytical method as a fast and cost effective alternative to the classic identification methods.

  4. 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.

  5. FTIR and structural properties of co-precipitated cobalt ferrite nano particles

    International Nuclear Information System (INIS)

    Hutamaningtyas, E.; Utari; Suharyana; Purnama, B.; Wijayanta, A. T.

    2016-01-01

    The FTIR and structural properties in co-precipitated cobalt ferrite (CoFe 2 O 4 ) nanoparticles are discussed in this paper. The synthesis was conducted at temperatures of 75°C and 95°C following post annealing at 1200°C for 5 hours. Other modification samples were synthesis at temperature of 95°C and then annealing at temperature of 1000°C and 1200°C for 5 hours. For both modification of synthesis and annealing temperature, FTIR result showed a metal oxide at a wave number of 590 cm -1 which indicated cobalt ferrite nanoparticles. The crystalline structure was confirmed using x-ray diffraction that the high purity of cobalt ferrite was realized. Calculation of the cation distribution by using comparison I 220 /I 222 and I 422 /I 222 show that the synthesis and annealing temperature succesfully modify cation occupy the site octahedral and tetrahedral. (paper)

  6. Ion-induced molecular emission of polymers: analytical potentialities of FTIR and mass spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Picq, V.; Balanzat, E. E-mail: balanzat@ganil.fr

    1999-05-02

    The release of small gaseous molecules is a general phenomenon of irradiated polymers. Polyethylene (PE), polypropylene (PP) and polybutene (PB) were irradiated with ions of different electronic stopping power. We show that the gas emission can provide important information on the damage process if a reliable chemical identification of the molecules released and accurate yield values are obtained. The outgassing products were analysed by two techniques: (1) by a novel set-up using a Fourier Transform Infrared (FTIR) analysis of the gas mixture released from the polymer film and (2) by residual gas analysis (RGA) with a quadrupole mass spectrometer. Comparing the analytical potentialities of both methods we come to the conclusion that the FTIR method gives a more straightforward and accurate determination of the chemical nature and of the yield of most of the released molecules. However, RGA provides complementary information on the gas release kinetics and also on the release of heavy hydrocarbon molecules and symmetric molecules like molecular hydrogen.

  7. HPTLC Hyphenated with FTIR: Principles, Instrumentation and Qualitative Analysis and Quantitation

    Science.gov (United States)

    Cimpoiu, Claudia

    In recent years, much effort has been devoted to the coupling of high-performance thin-layer chromatography (HPTLC) with spectrometric methods because of the robustness and simplicity of HPTLC and the need for detection techniques that provide identification and determination of sample constituents. IR is one of the spectroscopic methods that have been coupled with HPTLC. IR spectroscopy has a high potential for the elucidation of molecular structures, and the characteristic absorption bands can be used for compound-specific detection. HPTLC-FTIR coupled method has been widely used in the modern laboratories for the qualitative and quantitative analysis. The potential of this method is demonstrated by its application in different fields of analysis such as drug analysis, forensic analysis, food analysis, environmental analysis, biological analysis, etc. The hyphenated HPTLC-FTIR technique will be developed in the future with the aim of taking full advantage of this method.

  8. Study of the Pyrrol/Diphenylamine Copolymer by FT-IR spectroscopy and conductivity

    Directory of Open Access Journals (Sweden)

    Carlos Alberto Perez

    2004-01-01

    Full Text Available The main goal of this study was to analyze the physical properties of the copolymer formed by the electrochemical deposition of the polydiphenylamine (PDPA on polypyrrole (Ppy and Ppy on PDPA, in different conditions, through the characterization of the materials formed by the resonant Raman, FT-IR and conductivity techniques. The interactions among the species which are present in the new copolymer structure and the changes in electronic conductivity, were verified. The copolymer was also synthesized electrochemically in the presence of iodide species and the material was characterized by FT-IR spectroscopy and conductivity. The role of the dopant was studied in the process of charge transfer between the copolymer-dopant, acting in the stabilization of the species in the polymer backbone and the increase of the electronic conductivity.

  9. Comparison of serum from gastric cancer patients and from healthy persons using FTIR spectroscopy

    Science.gov (United States)

    Sheng, Daping; Wu, Yican; Wang, Xin; Huang, Dake; Chen, Xianliang; Liu, Xingcun

    2013-12-01

    Since serum can reflect human beings' physiological and pathological conditions, FTIR spectroscopy was used to compare gastric cancer patients' serum with healthy persons' serum in this study. The H2959/H2931, H1646/H1550, H1314/H1243, H1453/H1400 and H1080/H1550 ratios were calculated, among these ratios, the H2959/H2931 ratio might be a standard for distinguishing gastric cancer patients from healthy persons. Then curve fitting was processed using Gaussian curves in the 1140-1000 cm-1 region, and the result showed that the RNA/DNA ratios of gastric cancer patients' serum were obviously lower than those of healthy persons' serum. The results suggest that FTIR spectroscopy may be a potentially useful tool for diagnosis of gastric cancer.

  10. Rietveld refinement and FTIR analysis of bulk ceramic Co3-xMnxO4 compositions

    Science.gov (United States)

    Meena, P. L.; Kumar, Ravi; Sreenivas, K.

    2013-02-01

    Co3-xMnxO4 (x = 0.0, 0.6, 1.2) prepared by solid state reaction method and characterized by powder X-ray diffraction (XRD) and Fourier transform infrared (FTIR). Lattice parameters (a), oxygen parameter (u), and ionic radii of cations have been determined through Rietveld analysis. Both a and u parameters are related to expansion of octahedral site as Mn content in Co3O4. Analysis of XRD data show that Mn (x ≤ 1.2) is accommodated at the octahedral site, while retaining the cubic spinel structure. FTIR results also confirm the same and signify strong interactions due to overlapping of Co and Mn octahedra.

  11. Interpretation FTIR spectrum of seawater and sediment in the Ambon Bay (TAD)

    Science.gov (United States)

    Patty, Diana Julaidy; Loupatty, Grace; Sopalauw, Fitria

    2017-01-01

    Research has done to interpretated FTIR spectrum of seawaters and sediment of the Ambon Bay (TAD). Analysis of samples of sediment and seawater using FTIR spectroscopy. The results showed the sand sediment samples identified Stretch bond OH group (3600-3500 cm-1), N-H Stretch (3400-3300 cm-1), C≡N (2250 cm-1), and NH bending (1640 to 1550 cm-1). And for seawater samples identified bonding group that is N-H Stretch (3400-3350 cm-1), N-H bending (1640 to 1550 cm-1) and C=O (1670-1640 cm-1). The existence of functional groups, carbonyl (C=O), alcohol (OH), carboxyl (COOH) can cause the complexation of metal cations. And the results showed analysis group N-O bond-containing compounds Nitro indicate heavy metal content of Lead (Pb) and group N-H bond-containing compound Amina indicate heavy metal content of Cadmium (Cd).

  12. FTIR, FT-Raman, FT-NMR and quantum chemical investigations of 3-acetylcoumarin

    Science.gov (United States)

    Arjunan, V.; Sakiladevi, S.; Marchewka, M. K.; Mohan, S.

    2013-05-01

    3-Acetylcoumarin (3AC) was synthesised by a Knoevenagel reaction. Conformational analysis using the B3LYP method was also carried out to determine the most stable conformation of the compound. FTIR and FT-Raman spectra of 3AC have been recorded in the range 4000-400 and 4000-100 cm-1, respectively. 1H and 13C NMR spectra have also been recorded. The complete vibrational assignment and analysis of the fundamental modes of the compound were carried out using the experimental FTIR and FT-Raman data and quantum mechanical studies. The experimental vibrational frequencies were compared with the wavenumbers obtained theoretically from the DFT-B3LYP/B3PW91 gradient calculations employing the standard 6-31G**, high level 6-311++G** and cc-pVTZ basis sets for optimised geometry of the compound. The frontier molecular orbital energies of the compound are determined by DFT method.

  13. Preliminary study of corrosion mechanisms of actinides alloys: calibration of FT-IR spectroscopy

    International Nuclear Information System (INIS)

    Magnien, Veronique; Cadignan, Marx; Faivret, Olivier; Rosa, Gaelle

    2008-01-01

    In situ analyzes of gaseous atmospheres could be performed by FT-IR spectroscopy in order to study the corrosion reactions of actinides. Nevertheless experimental conditions and the nature of studied species have a strong effect on IR absorption laws. Thus a prior calibration of our set-up is required to obtain an accurate estimation of gas concentration. For this purpose, the behavior of several air pure gases has been investigated according to their concentration from IR spectra. Reproducible results revealed subsequent increases of the most significant peak areas with gas pressure and small deviations from Beer Lambert's law. This preliminary work allowed to determine precise absorption laws for each studied pure gas in our in situ experimental conditions. Besides our FT-IR set-up was well suitable to quantitative analysis of gaseous atmosphere during corrosion reactions. Finally the effect of foreign gas will be investigated through more complex air mixtures to obtain a complete calibration network. (authors)

  14. FTIR spectroscopy measurements and CFD simulations of the pollutants arising from unflued combustion in a room

    International Nuclear Information System (INIS)

    Chen, J.; Fletcher, D.F.; Haynes, B.S.; Duffy, B.; Nelson, P.

    2001-01-01

    This paper reports on a study of indoor air quality in a simulated kitchen environment. Combustion products from unflued combustion from a gas cook-top in a ventilated room were measured using an extractive FTIR technique. Results were compared with those from conventional instruments and the FTIR technique was shown to give good agreement. Detection limits and the effects of H 2 O and CO 2 in obscuring the spectrum were studied. In addition, Computational Fluid Dynamics (CFD) was used to explore the conditions in the room and to assist with experimental design. This revealed a complex flow situation that can arise when the plume from the cook top interacts with the extraction hood. (Author)

  15. Organic and inorganic content of fluorotic rat incisors measured by FTIR spectroscopy

    Science.gov (United States)

    Porto, Isabel Maria; Saiani, Regina Aparecida; Chan, K. L. Andrew; Kazarian, Sergei G.; Gerlach, Raquel Fernanda; Bachmann, Luciano

    2010-09-01

    Details on how fluoride interferes in enamel mineralization are still controversial. Therefore, this study aimed at analyzing the organic contents of fluorosis-affected teeth using Fourier Transformation Infrared spectroscopy. To this end, 10 male Wistar rats were divided into two groups: one received 45 ppm fluoride in distilled water for 60 days; the other received distilled water only. Then, the lower incisors were removed and prepared for analysis by two FTIR techniques namely, transmission and micro-ATR. For the first technique, the enamel was powdered, whereas in the second case one fluorotic incisor was cut longitudinally for micro-ATR. Using transmission and powdered samples, FTIR showed a higher C-H content in the fluorotic enamel compared with control enamel ( p amelogenesis. Further studies along this line may definitely answer some questions regarding protein content in fluorotic enamel as well as their origin.

  16. Camtracker: a new camera controlled high precision solar tracker system for FTIR-spectrometers

    Directory of Open Access Journals (Sweden)

    M. Gisi

    2011-01-01

    Full Text Available A new system to very precisely couple radiation of a moving source into a Fourier Transform Infrared (FTIR Spectrometer is presented. The Camtracker consists of a homemade altazimuthal solar tracker, a digital camera and a homemade program to process the camera data and to control the motion of the tracker. The key idea is to evaluate the image of the radiation source on the entrance field stop of the spectrometer. We prove that the system reaches tracking accuracies of about 10 arc s for a ground-based solar absorption FTIR spectrometer, which is significantly better than current solar trackers. Moreover, due to the incorporation of a camera, the new system allows to document residual pointing errors and to point onto the solar disk center even in case of variable intensity distributions across the source due to cirrus or haze.

  17. Application of Fourier transform infrared (FTIR) spectroscopy for the identification of wheat varieties.

    Science.gov (United States)

    Amir, Rai Muhammad; Anjum, Faqir Muhammad; Khan, Muhammad Issa; Khan, Moazzam Rafiq; Pasha, Imran; Nadeem, Muhammad

    2013-10-01

    Quality characteristics of wheat are determined by different physiochemical and rheological analysis by using different AACC methods. AACC methods are expensive, time consuming and cause destruction of samples. Fourier transforms infrared (FTIR) spectroscopy is one of the most important and emerging tool used for analyzing wheat for different quality parameters. This technique is rapid and sensitive with a great variety of sampling techniques. In the present study different wheat varieties were analyzed for quality assessment and were also characterized by using AACC methods and FTIR technique. The straight grade flour was analyzed for physical, chemical and rheological properties by standard methods and results were obtained. FTIR works on the basis of functional groups and provide information in the form of peaks. On basis of peaks the value of moisture, protein, fat, ash, carbohydrates and hardness of grain were determined. Peaks for water were observed in the range 1,640 cm(-1) and 3,300 cm(-1) on the basis of functional group H and OH. Protein was observed in the range from 1,600 cm(-1) to 1,700 cm(-1) and 1,550 cm(-1) to 1,570 cm(-1) on the basis of bond amide I and amide II respectively. Fat was also observed within these ranges but on the basis of C-H bond and also starch was observed in the range from 2,800 and 3,000 cm(-1) (C-H stretch region) and in the range 3,000 and 3,600 cm(-1) (O-H stretch region). As FTIR is a fast tool it can be easily emplyed for wheat varieties identification according to a set criterion.

  18. FTIR study of the photoreaction of bovine rhodopsin in the presence of hydroxylamine.

    Science.gov (United States)

    Katayama, Kota; Furutani, Yuji; Kandori, Hideki

    2010-07-15

    In bovine rhodopsin, 11-cis-retinal forms a Schiff base linkage with Lys296. The Schiff base is not reactive to hydroxylamine in the dark, which is consistent with the well-protected retinal binding site. In contrast, under illumination it easily forms all-trans retinal oxime, resulting in the loss of color. This suggests that activation of rhodopsin creates a specific reaction channel for hydroxylamine or loosens the chromophore binding pocket. In the present study, to extract structural information on the Schiff base vicinity and to understand the changes upon activation of rhodopsin, we compared light-induced FTIR difference spectra of bovine rhodopsin in the presence and absence of hydroxylamine under physiological pH (approximately 7). Although the previous FTIR study did not observe the complex formation between rhodopsin and G-protein transducin in hydrated films, the present study clearly shows that hydrated films can be used for studies of the interaction between rhodopsin and hydroxylamine. Hydroxylamine does not react with the Schiff base of Meta-I intermediate trapped at 240 K, possibly because of decreased conformational motions under the frozen environment, while FTIR spectroscopy showed that hydroxylamine affects the hydrogen bonds of the Schiff base and water molecules in Meta-I. In contrast, formation of the retinal oxime was clearly observed at 280 K, the characteristic temperature of Meta-II accumulation in the absence of hydroxylamine, and time-dependent formation of retinal oxime was observed from Meta-II at 265 K as well. The obtained difference FTIR spectra of retinal oxime and opsin are different from that of Meta-II. It is likely that the antiparallel beta-sheet constituting a part of the retinal binding pocket at the extracellular surface is structurally disrupted in the presence of hydroxylamine, which allows the hydrolysis of the Schiff base into retinal oxime.

  19. Quantitative analysis of H2O and CO2 in cordierite using polarized FTIR spectroscopy

    Science.gov (United States)

    Della Ventura, Giancarlo; Radica, Francesco; Bellatreccia, Fabio; Cavallo, Andrea; Capitelli, Francesco; Harley, Simon

    2012-11-01

    We report a FTIR (Fourier transform infrared) study of a set of cordierite samples from different occurrence and with different H2O/CO2 content. The specimens were fully characterized by a combination of techniques including optical microscopy, single-crystal X-ray diffraction, EMPA (electron microprobe analysis), SIMS (secondary ion mass spectrometry), and FTIR spectroscopy. All cordierites are orthorhombic Ccmm. According to the EMPA data, the Si/Al ratio is always close to 5:4; X Mg ranges from 76.31 to 96.63, and additional octahedral constituents occur in very small amounts. Extraframework K and Ca are negligible, while Na reaches the values up to 0.84 apfu. SIMS shows H2O up to 1.52 and CO2 up to 1.11 wt%. Optically transparent single crystals were oriented using the spindle stage and examined by FTIR micro-spectroscopy under polarized light. On the basis of the polarizing behaviour, the observed bands were assigned to water molecules in two different orientations and to CO2 molecules in the structural channels. The IR spectra also show the presence of small amounts of CO in the samples. Refined integrated molar absorption coefficients were calibrated for the quantitative microanalysis of both H2O and CO2 in cordierite based on single-crystal polarized-light FTIR spectroscopy. For H2O the integrated molar coefficients for type I and type II water molecules (ν3 modes) were calculated separately and are [I]ɛ = 5,200 ± 700 l mol-1 cm-2 and [II]ɛ = 13,000 ± 3,000 l mol-1 cm-2, respectively. For CO2 the integrated coefficient is \\varepsilon_{{{{CO}}_{ 2} }} = 19,000 ± 2,000 l mol-1 cm-2.

  20. [Establishment of the Mathematical Model for PMI Estimation Using FTIR Spectroscopy and Data Mining Method].

    Science.gov (United States)

    Wang, L; Qin, X C; Lin, H C; Deng, K F; Luo, Y W; Sun, Q R; Du, Q X; Wang, Z Y; Tuo, Y; Sun, J H

    2018-02-01

    To analyse the relationship between Fourier transform infrared (FTIR) spectrum of rat's spleen tissue and postmortem interval (PMI) for PMI estimation using FTIR spectroscopy combined with data mining method. Rats were sacrificed by cervical dislocation, and the cadavers were placed at 20 ℃. The FTIR spectrum data of rats' spleen tissues were taken and measured at different time points. After pretreatment, the data was analysed by data mining method. The absorption peak intensity of rat's spleen tissue spectrum changed with the PMI, while the absorption peak position was unchanged. The results of principal component analysis (PCA) showed that the cumulative contribution rate of the first three principal components was 96%. There was an obvious clustering tendency for the spectrum sample at each time point. The methods of partial least squares discriminant analysis (PLS-DA) and support vector machine classification (SVMC) effectively divided the spectrum samples with different PMI into four categories (0-24 h, 48-72 h, 96-120 h and 144-168 h). The determination coefficient ( R ²) of the PMI estimation model established by PLS regression analysis was 0.96, and the root mean square error of calibration (RMSEC) and root mean square error of cross validation (RMSECV) were 9.90 h and 11.39 h respectively. In prediction set, the R ² was 0.97, and the root mean square error of prediction (RMSEP) was 10.49 h. The FTIR spectrum of the rat's spleen tissue can be effectively analyzed qualitatively and quantitatively by the combination of FTIR spectroscopy and data mining method, and the classification and PLS regression models can be established for PMI estimation. Copyright© by the Editorial Department of Journal of Forensic Medicine.

  1. Application of FTIR Spectroscopy and Chemometrics for Halal Authentication of Beef Meatball Adulterated with Dog Meat

    OpenAIRE

    Rahayu, Wiranti Sri; Rohman, Abdul; Martono, Sudibyo; Sudjadi, Sudjadi

    2018-01-01

    Beef meatball is one of the favorite meat-based food products among Indonesian community. Currently, beef is very expensive in Indonesian market compared to other common meat types such as chicken and lamb. This situation has intrigued some unethical meatball producers to replace or adulterate beef with lower priced-meat like dog meat. The objective of this study was to evaluate the capability of FTIR spectroscopy combined with chemometrics for identification and quantification of dog meat (D...

  2. Heavy fuel oil pyrolysis and combustion: kinetics and evolved gases investigated by TGA-FTIR

    KAUST Repository

    Abdul Jameel, Abdul Gani

    2017-08-24

    Heavy fuel oil (HFO) obtained from crude oil distillation is a widely used fuel in marine engines and power generation technologies. In the present study, the pyrolysis and combustion of a Saudi Arabian HFO in nitrogen and in air, respectively, were investigated using non-isothermal thermo-gravimetric analysis (TGA) coupled with a Fourier-transform infrared (FTIR) spectrometer. TG and DTG (differential thermo-gravimetry) were used for the kinetic analysis and to study the mass loss characteristics due to the thermal degradation of HFO at temperatures up to 1000°C and at various heating rates of 5, 10 and 20°C/min, in air and N2 atmospheres. FTIR analysis was then performed to study the composition of the evolved gases. The TG/DTG curves during HFO combustion show the presence of three distinct stages: the low temperature oxidation (LTO); fuel decomposition (FD); and high temperature oxidation (HTO) stages. The TG/DTG curves obtained during HFO pyrolysis show the presence of two devolatilization stages similar to that seen in the LTO stage of HFO combustion. Apart from this, the TG/DTG curves obtained during HFO combustion and pyrolysis differ significantly. Kinetic analysis was also performed using the distributed activation energy model, and the kinetic parameter (E) was determined for the different stages of HFO combustion and pyrolysis processes, yielding a good agreement with the measured TG profiles. FTIR analysis showed the signal of CO2 as approximately 50 times more compared to the other pollutant gases under combustion conditions. Under pyrolytic conditions, the signal intensity of alkane functional groups was the highest followed by alkenes. The TGA-FTIR results provide new insights into the overall HFO combustion processes, which can be used to improve combustor designs and control emissions.

  3. FTIR Study of the Photoactivation Process of Xenopus (6-4) Photolyase†

    Science.gov (United States)

    Yamada, Daichi; Zhang, Yu; Iwata, Tatsuya; Hitomi, Kenichi; Getzoff, Elizabeth D.; Kandori, Hideki

    2012-01-01

    Photolyases (PHRs) are blue-light activated DNA repair enzymes that maintain genetic integrity by reverting UV-induced photoproducts into normal bases. The FAD chromophore of PHRs has four different redox states: oxidized (FADox), anion radical (FAD•−), neutral radical (FADH•) and fully reduced (FADH−). We combined difference Fourier-transform infrared (FTIR) spectroscopy with UV-visible spectroscopy to study the detailed photoactivation process of Xenopus (6-4) PHR. Two photons produce the enzymatically active, fully reduced PHR from oxidized FAD: FADox is converted to semiquinone via light-induced one-electron and one-proton transfers, and then to FADH− by light-induced one-electron transfer. We successfully trapped FAD•− at 200 K, where electron transfer occurs, but proton transfer does not. UV-visible spectroscopy following 450-nm illumination of FADox at 277 K defined the FADH•/FADH− mixture and allowed calculation of difference FTIR spectra among the four redox states. The absence of a characteristic C=O stretching vibration indicated that the proton donor is not a protonated carboxylic acid. Structural changes in Trp and Tyr are suggested from UV-visible and FTIR analysis of FAD•− at 200 K. Spectral analysis of amide-I vibrations revealed structural perturbation of the protein’s β-sheet during initial electron transfer (FAD•− formation), transient increase in α-helicity during proton transfer (FADH• formation) and reversion to the initial amide-I signal following subsequent electron transfer (FADH− formation). Consequently, in (6-4) PHR, unlike cryptochrome-DASH, formation of enzymatically active FADH− did not perturb α-helicity. Protein structural changes in the photoactivation of (6-4) PHR are discussed on the basis of the present FTIR observations. PMID:22747528

  4. Characterization of Soil Organic Matter in Peat Soil with Different Humification Levels using FTIR

    Science.gov (United States)

    Teong, I. T.; Felix, N. L. L.; Mohd, S.; Sulaeman, A.

    2016-07-01

    Peat soil is defined as an accumulation of the debris and vegetative under the water logging condition. Soil organic matter of peat soil was affected by the environmental, weather, types of vegetative. Peat soil was normally classified based on its level of humification. Humification can be defined as the transformation of numerous group of substances (proteins, carbohydrates, lipids, etc.) and individual molecules present in living organic matter into group of substances with similar properties (humic substances). During the peat transformation process, content of soil organic matter also will change. Hence, that is important to determine out the types of the organic compound. FTIR (Fourier Transform Infrared) is a machine which is used to differential soil organic matter by using infrared. Infrared is a types of low energy which can determine the organic minerals. Hence, FTIR can be suitable as an indicator on its level of humification. The main objective of this study is to identify an optimized method to characterization of the soil organic content in different level of humification. The case study areas which had been chosen for this study are Parit Sulong, Batu Pahat and UCTS, Sibu. Peat soil samples were taken by every 0.5 m depth until it reached the clay layer. However, the soil organic matter in different humification levels is not significant. FTIR is an indicator which is used to determine the types of soil, but it is unable to differentiate the soil organic matter in peat soil FTIR can determine different types of the soil based on different wave length. Generally, soil organic matter was found that it is not significant to the level of humification.

  5. FTIR study of ageing of fast drying oil colour (FDOC) alkyd paint replicas

    Science.gov (United States)

    Duce, Celia; Della Porta, Valentina; Tiné, Maria Rosaria; Spepi, Alessio; Ghezzi, Lisa; Colombini, Maria Perla; Bramanti, Emilia

    2014-09-01

    We propose ATR-FTIR spectroscopy for the characterization of the spectral changes in alkyd resin from the Griffin Alkyd Fast Drying Oil Colour range (Winsor & Newton), occurring over 550 days (˜18 months) of natural ageing and over six months of artificial ageing under an acetic acid atmosphere. Acetic acid is one of the atmospheric pollutants found inside museums in concentrations that can have a significant effect on the works exhibited. During natural ageing we observed an increase and broadening of the OH group band around 3300 cm-1 and an increase in bands in the region 1730-1680 cm-1 due to carbonyl stretching. We found a broad band around 1635 cm-1 likely due to Cdbnd O stretching vibrations of β dichetons. These spectral changes are the result of autooxidation reactions during natural ageing and crosslinking, which then form f alcohols and carbonyl species. The increase in absorbance at 1635 cm-1 was selected as a parameter to monitor the ageing process of paintings prepared with FDOC, without the need for any extractive procedure. FTIR spectra of paint replicas kept under an acetic acid atmosphere indicated the chemical groups involved in the reaction with acid, thus suggesting which spectral FTIR regions could be investigated in order to follow any degradation in real paintings. A red paint sample from a hyper-realistic artwork (“Racconta storie”, 2003) by the Italian painter Patrizia Zara was investigated by FTIR in order to evaluate the effects of 10 years natural ageing on alkyd colours. The results obtained suggested that after the end of chemical drying (autooxidation), alkyd colours are very stable.

  6. ATR-FTIR for rapid detection and quantification of counterfeit medicines

    OpenAIRE

    Ogwu, John; Lawson, Graham; Tanna, Sangeeta

    2015-01-01

    From therapeutic to lifestyle medicines, the counterfeiting of medicines has been on the rise in recent times [1]. Estimates indicate that about 10% of medicines worldwide are counterfeits with much higher figures in developing countries [2]. Currently, the rapid screening of medicines is a challenge leaving many patients at risk [1]. This study considered the potential use of Attenuated Total Reflectance-Fourier Transform Infrared Spectroscopy (ATR-FTIR) for rapid quantitative analysis of ta...

  7. Synchrotron-based valence shell photoionization of CH radical

    Energy Technology Data Exchange (ETDEWEB)

    Gans, B., E-mail: berenger.gans@u-psud.fr, E-mail: christian.alcaraz@u-psud.fr; Falvo, C. [Institut des Sciences Moléculaires d’Orsay (ISMO), CNRS, Univ. Paris-Sud, Université Paris-Saclay, F-91405 Orsay (France); Holzmeier, F.; Röder, A. [Institut of Physical and Theoretical Chemistry, University of Würzburg, Am Hubland, D-97074 Würzburg (Germany); Krüger, J.; Garcia, G. A. [Synchrotron SOLEIL, L’Orme des Merisiers, Saint Aubin BP 48, F-91192 Gif sur Yvette Cedex (France); Lopes, A.; Alcaraz, C., E-mail: berenger.gans@u-psud.fr, E-mail: christian.alcaraz@u-psud.fr [Laboratoire de Chimie Physique, UMR 8000 CNRS—Univ. Paris-Sud, Univ. Paris-Saclay, Bât. 350, Centre Universitaire Paris-Sud, F-91405 Orsay Cedex (France); Fittschen, C. [Université Lille, CNRS, UMR 8522–PC2A–Physicochimie des Processus de Combustion et de l’Atmosphère, F-59000 Lille (France); Loison, J.-C. [Institut des Sciences Moléculaires, UMR 5255 CNRS—Université de Bordeaux, Bât. A12, 351 cours de la Libération, F-33405 Talence Cedex (France)

    2016-05-28

    We report the first experimental observations of X{sup +} {sup 1}Σ{sup +}←X {sup 2}Π and a{sup +} {sup 3}Π←X {sup 2}Π single-photon ionization transitions of the CH radical performed on the DESIRS beamline at the SOLEIL synchrotron facility. The radical was produced by successive hydrogen-atom abstractions on methane by fluorine atoms in a continuous microwave discharge flow tube. Mass-selected ion yields and photoelectron spectra were recorded as a function of photon energy using a double imaging photoelectron/photoion coincidence spectrometer. The ion yield appears to be strongly affected by vibrational and electronic autoionizations, which allow the observation of high Rydberg states of the neutral species. The photoelectron spectra enable the first direct determinations of the adiabatic ionization potential and the energy of the first triplet state of the cation with respect to its singlet ground state. This work also brings valuable information on the complex electronic structure of the CH radical and its cation and adds new observations to complement our understanding of Rydberg states and autoionization processes.

  8. Synchrotron-based far-infrared spectroscopy of nickel tungstate

    International Nuclear Information System (INIS)

    Kalinko, A.; Kuzmin, A.; Roy, P.; Evarestov, R.A.

    2016-01-01

    Monoclinic antiferromagnetic NiWO 4 was studied by far-infrared (30-600 cm -1 ) absorption spectroscopy in the temperature range of 5-300 K using the synchrotron radiation from SOLEIL source. Two isomorphous CoWO 4 and ZnWO 4 tungstates were investigated for comparison. The phonon contributions in the far-infrared range of tungstates were interpreted using the first-principles spin-polarized linear combination of atomic orbital calculations. No contributions from magnetic excitations were found in NiWO 4 and CoWO 4 below their Neel temperatures down to 5 K.

  9. Synchrotron Based Phase Contrast Tomography of Hyper cholesteromic Rat Liver

    Directory of Open Access Journals (Sweden)

    Fatima A

    2017-05-01

    Full Text Available X-ray phase contrast imaging technique has been applied for the study of morphological variations in soft tissues. The effect of an antioxidant, α-lipoic acid in reducing hypercholesterolemia in rats is investigated. The experiment was conducted to measure serum lipid profile and diameter of vessels in rat liver, as liver is the most vital organ in hypolipidemic activity studies. Methods: Four groups of male Wistar rats, control (Group I, hyperlipidemic (Group II, positive control (Group III and treated Group IV were studied for serum lipid profile and liver vessels with synchrotron X-ray phase tomography. The Group I rats received chow diet, in Group II rats, administration of 20% butter rich diet induced hyperlipidemia. Group III, treated rats received hypolipidemic drug Atorvastatin and Group IV animals received a potent antioxidant DL-α-Lipoic acid. The excised liver tissue immersed in 10% formalin. X-ray phase contrast tomography was performed for comparison of diameter of liver vessels. Results: Among the four group of animals, the diameter of liver vessels was much larger in hypercholesterolemic rat (Group II. The liver vessel diameter comparison with X-ray phase contrast tomography and the lipid profile shows reduction in serum lipids and lipoproteins by ALA treatment.

  10. Towards a table-top synchrotron based on supercontinuum generation

    DEFF Research Database (Denmark)

    Petersen, Christian Rosenberg; Moselund, Peter M.; Huot, Laurent

    2018-01-01

    Recently, high brightness and broadband supercontinuum (SC) sources reaching far into the infrared (IR) have emerged with the potential to rival traditional broadband sources of IR radiation. Here, the brightness of these IR SC sources is compared with that of synchrotron IR beamlines and Si...

  11. Molecular orientation in aligned electrospun polyimide nanofibers by polarized FT-IR spectroscopy.

    Science.gov (United States)

    Yang, Haoqi; Jiang, Shaohua; Fang, Hong; Hu, Xiaowu; Duan, Gaigai; Hou, Haoqing

    2018-07-05

    Quantitative explanation on the improved mechanical properties of aligned electrospun polyimide (PI) nanofibers as the increased imidization temperatures is highly required. In this work, polarized FT-IR spectroscopy is applied to solve this problem. Based on the polarized FT-IR spectroscopy and the molecular model in the fibers, the length of the repeat unit of PI molecule, the angle between the fiber axis and the symmetric stretching direction of carbonyl group on the imide ring, and the angle between the PI molecular axis and fiber axis are all investigated. The Mark-Howink equation is used to calculate the number-average molar mass of PI molecules. The orientation states of PI molecules in the electrospun nanofibers are studied from the number-average molar mass of PI molecules and the average fiber diameter. Quantitative analysis of the orientation factor of PI molecules in the electrospun nanofibers is performed by polarized FT-IR spectroscopy. Copyright © 2018 Elsevier B.V. All rights reserved.

  12. Characterization of additives typically employed in EPDM formulations by using FT-IR of gaseous pyrolyzates

    Directory of Open Access Journals (Sweden)

    Natália Beck Sanches

    2014-06-01

    Full Text Available In this study, Fourier transform infrared spectroscopy (FT-IR was employed to investigate the gaseous pyrolysis products of ethylene - propylene - diene rubber (EPDM. The objective was to evaluate the potential of FT-IR analysis of gaseous pyrolyzates (PY-G/FT-IR for characterization of EPDM additives. Two EPDM formulations, containing additives typically employed in EPDM rubbers, were analyzed. Initially, gaseous pyrolysis products from paraffin oil, stearic acid, 2,2,4-trimethyl-1,2-dihydroquinoline, tetramethylthiuram monosulfide (TMTM, tetramethylthiuram disulfide (TMTD, and 2-mercaptobenzothiazole (MBT were characterized separately, and their main absorptions were identified. Subsequently, the gaseous pyrolysis products of raw, unvulcanized, and vulcanized EPDM formulations were analyzed. The similarities observed in the FT-IR spectra of unvulcanized and vulcanized EPDM show that the vulcanization process does not interfere with the pyrolysis products. The identification of the functional groups of the studied additives was possible in both unvulcanized and vulcanized EPDM samples, without solvent extraction. Results also demonstrate that the PY-G/FT-IR technique can identify additives containing sulfur in concentrations as low as 1.4 phr (1.26% in both unvulcanized and vulcanized EPDM. However, the method showed some limitation due to overlapping and to similarities of TMTM and TMTD PY-G/FT-IR spectra, which could not be distinguished from each other. The PY-G/FT-IR technique is a faster and cheaper alternative to the sophisticated techniques usually applied to detection of additives in rubbers.

  13. Classification of java tea ( Orthosiphon aristatus ) quality using FTIR spectroscopy and chemometrics

    International Nuclear Information System (INIS)

    Heryanto, R; Pradono, D I; Darusman, L K; Marlina, E

    2017-01-01

    Java tea ( Orthosiphon aristatus ) is a plant that widely used as a medicinal herb in Indonesia. Its quality is varying depends on various factors, such as cultivating area, climate and harvesting time. This study aimed to investigate the effectiveness of FTIR spectroscopy coupled with chemometrics for discriminating the quality of java tea from different cultivating area. FTIR spectra of ethanolic extracts were collected from five different regions of origin of java tea. Prior to chemometrics evaluation, spectra were pre-processed by using baselining, normalization and derivatization. Principal Components Analysis (PCA) was used to reduce the spectra to two PCs, which explained 73% of the total variance. Score plot of two PCs showed groupings of the samples according to their regions of origin. Furthermore, Partial Least Squares-Discriminant Analysis (PLSDA) was applied to the pre-processed data. The approach produced an external validation success rate of 100%. This study shows that FTIR analysis and chemometrics has discriminatory power to classify java tea based on its quality related to the region of origin. (paper)

  14. Technology of the Gramophone Records of the Music Museum by Fourier Transform Infrared Spectrometry (FTIR Method

    Directory of Open Access Journals (Sweden)

    Seyedeh Zeinab Afzali

    2017-02-01

    Full Text Available Music is one of the branches of the art whose helpful role and usefulness in the human’s mind and soul is undeniable. It is the only art which in the philosophers’ divisions is directly linked with the human spirit and immediate overflows the ears of his soul. The sound, as a psychological phenomenon is associated with the emotion and excitement so that sometimes calms and sometimes confuses the human. This study aims to examine the technology of the gramophone records in the Music Museum by Fourier transform infrared spectrometry (FTIR. The method of this research is experimental and the data are collected by documentation, library, and using FTIR tests. Some records of the Music Museum were studied including four samples of 78 rpm platter (stone platter, one sample of 45 rpm, and one sample of 33 rpm (vinyl platter. The results of the FTIR test indicated that the materials of the records were vinyl and shellac and in their raw material, some of the softening additives (phthalates and fillers (silica and calcium carbonate compounds had been used.

  15. Analysis of pork adulteration in beef meatball using Fourier transform infrared (FTIR) spectroscopy.

    Science.gov (United States)

    Rohman, A; Sismindari; Erwanto, Y; Che Man, Yaakob B

    2011-05-01

    Meatball is one of the favorite foods in Indonesia. The adulteration of pork in beef meatball is frequently occurring. This study was aimed to develop a fast and non destructive technique for the detection and quantification of pork in beef meatball using Fourier transform infrared (FTIR) spectroscopy and partial least square (PLS) calibration. The spectral bands associated with pork fat (PF), beef fat (BF), and their mixtures in meatball formulation were scanned, interpreted, and identified by relating them to those spectroscopically representative to pure PF and BF. For quantitative analysis, PLS regression was used to develop a calibration model at the selected fingerprint regions of 1200-1000 cm(-1). The equation obtained for the relationship between actual PF value and FTIR predicted values in PLS calibration model was y = 0.999x + 0.004, with coefficient of determination (R(2)) and root mean square error of calibration are 0.999 and 0.442, respectively. The PLS calibration model was subsequently used for the prediction of independent samples using laboratory made meatball samples containing the mixtures of BF and PF. Using 4 principal components, root mean square error of prediction is 0.742. The results showed that FTIR spectroscopy can be used for the detection and quantification of pork in beef meatball formulation for Halal verification purposes. Copyright © 2010 The American Meat Science Association. Published by Elsevier Ltd. All rights reserved.

  16. Use of an Open-path FTIR sensor to measure VOCs at the Hanford Site

    International Nuclear Information System (INIS)

    Kagann, R.H.; Fancher, J.D.; Tomich, S.D.

    1994-01-01

    An Open-path Fourier Transform Infrared (OP-FTIR) instrument was used to measure carbo tetrachloride vapor emitted from contaminated soil and monitoring wells in the 200 West Area of the Hanford Site in southeastern Washington State (see Figure 1). Historical activities at US Department of Energy (DOE) facilities around the United States during World War II, including development of a nuclear deterrent, resulted in the discharge of chemical and radioactive materials to the environment. Beginning in 1955, carbon tetrachloride and other liquid wastes were released to the subsurface along with cocontaminants to three liquid waste disposal facilities. The DOE has now focused a major technical effort on the mitigation of the effects of those discharges through an environmental restoration program. The OP-FTIR was used over the soil surface near the 216-Z-9 Trench (one of the disposal facilities) in the 200 West Area. The Hanford demonstration of the OP-FTIR was conducted as part of the Volatile Organic Compound-Arid Integrated Demonstration (VOC-Arid ID), which is funded by the US Department of Energy, Office of Technology Development. The mission of the VOC-Arid ID is to identify, develop, and demonstrate new and innovative technologies to support environmental restoration

  17. Detection of metanil yellow contamination in turmeric using FT-Raman and FT-IR spectroscopy

    Science.gov (United States)

    Dhakal, Sagar; Chao, Kuanglin; Qin, Jianwei; Kim, Moon; Schmidt, Walter; Chan, Dian

    2016-05-01

    Turmeric is well known for its medicinal value and is often used in Asian cuisine. Economically motivated contamination of turmeric by chemicals such as metanil yellow has been repeatedly reported. Although traditional technologies can detect such contaminants in food, high operational costs and operational complexities have limited their use to the laboratory. This study used Fourier Transform Raman Spectroscopy (FT-Raman) and Fourier Transform - Infrared Spectroscopy (FT-IR) to identify metanil yellow contamination in turmeric powder. Mixtures of metanil yellow in turmeric were prepared at concentrations of 30%, 25%, 20%, 15%, 10%, 5%, 1% and 0.01% (w/w). The FT-Raman and FT-IR spectral signal of pure turmeric powder, pure metanil yellow powder and the 8 sample mixtures were obtained and analyzed independently to identify metanil yellow contamination in turmeric. The results show that FT-Raman spectroscopy and FT-IR spectroscopy can detect metanil yellow mixed with turmeric at concentrations as low as 1% and 5%, respectively, and may be useful for non-destructive detection of adulterated turmeric powder.

  18. LIQUID COAL CHARACTERISTIC ANALYSIS WITH FOURIER TRANSFORM INFRA RED (FTIR AND DIFFERENTIAL SCANNING CALORIMETER (DSC

    Directory of Open Access Journals (Sweden)

    ATUS BUKU

    2017-02-01

    Full Text Available The aim of this study is to identify the value of compounds contained in liquid coal by using Fourier Transform Infra-Red (FTIR and Differential Scanning Calorimeter (DSC. FTIR was used to analyse the components contained in liquid coal, while the DSC is done to observe the heat reaction to the environment. Based on the Fourier Transform Infra-Red (FTIR test results it is shown that the compound contained in the liquid Coal consisting of alkanes, alkenes and alkyne. These compounds are similar compounds. The alkanes, alkenes and alkynes compounds undergo complete combustion reaction with oxygen and would produce CO2 and water vapour [H2O (g]. If incomplete combustion occurs, the reaction proceeds in the form of Carbon Monoxide CO gas or solid carbon andH2O. Combustion reaction that occurs in all these three compounds also produces a number of considerable energy. And if it has higher value of Carbon then the boiling point would be higher. From the Differential Scanning Calorimetric (DSC test results obtained some of the factors that affect the reaction speed, which are the temperature, the reaction mixture composition, and pressure. Temperature has a profound influence in coal liquefaction, because if liquid coal heated with high pressure, the carbon chain would break down into smaller chains consisting of aromatic chain, hydro-aromatic, or aliphatic. This then triggers a reaction between oil formation and polymerization reactions to form solids (char.

  19. XRD and FTIR crystallinity indices in sound human tooth enamel and synthetic hydroxyapatite.

    Science.gov (United States)

    Reyes-Gasga, José; Martínez-Piñeiro, Esmeralda L; Rodríguez-Álvarez, Galois; Tiznado-Orozco, Gaby E; García-García, Ramiro; Brès, Etienne F

    2013-12-01

    The crystallinity index (CI) is a measure of the percentage of crystalline material in a given sample and it is also correlated to the degree of order within the crystals. In the literature two ways are reported to measure the CI: X-ray diffraction and infrared spectroscopy. Although the CI determined by these techniques has been adopted in the field of archeology as a structural order measure in the bone with the idea that it can help e.g. in the sequencing of the bones in chronological and/or stratigraphic order, some debate remains about the reliability of the CI values. To investigate similarities and differences between the two techniques, the CI of sound human tooth enamel and synthetic hydroxyapatite (HAP) was measured in this work by X-ray diffraction (XRD) and Fourier Transform Infrared spectroscopy (FTIR), at room temperature and after heat treatment. Although the (CI)XRD index is related to the crystal structure of the samples and the (CI)FTIR index is related to the vibration modes of the molecular bonds, both indices showed similar qualitative behavior for heat-treated samples. At room temperature, the (CI)XRD value indicated that enamel is more crystalline than synthetic HAP, while (CI)FTIR indicated the opposite. Scanning (SEM) and transmission (TEM) images were also used to corroborate the measured CI values. © 2013.

  20. Fourier Transform Infrared (FTIR Spectroscopy with Chemometric Techniques for the Classification of Ballpoint Pen Inks

    Directory of Open Access Journals (Sweden)

    Muhammad Naeim Mohamad Asri

    2015-12-01

    Full Text Available FTIR spectroscopic techniques have been shown to possess good abilities to analyse ballpoint pen inks. These in-situ techniques involve directing light onto ballpoint ink samples to generate an FTIR spectrum, providing “molecular fingerprints” of the ink samples thus allowing comparison by direct visual comparison. In this study, ink from blue (n=15 and red (n=15 ballpoint pens of five different brands: Kilometrico®, G-Soft®, Stabilo®, Pilot® and Faber Castell® was analysed using the FTIR technique with the objective of establishing a distinctive differentiation according to the brand. The resulting spectra were first compared and grouped manually. Due to the similarities in terms of colour and shade of the inks, distinctive differentiation could not be achieved by means of direct visual comparison. However, when the same spectral data was analysed by Principal Component Analysis (PCA software, distinctive grouping of the ballpoint pen inks was achieved. Our results demonstrate that PCA can be used objectively to investigate ballpoint pen inks of similar colour and more importantly of different brands.

  1. Rapid authentication of edible bird's nest by FTIR spectroscopy combined with chemometrics.

    Science.gov (United States)

    Guo, Lili; Wu, Yajun; Liu, Mingchang; Ge, Yiqiang; Chen, Ying

    2018-06-01

    Edible bird's nests (EBNs) have been traditionally regarded as a kind of medicinal and healthy food in China. For economic reasons, they are frequently subjected to adulteration with some cheaper substitutes, such as Tremella fungus, agar, fried pigskin, and egg white. As a kind of precious and functional product, it is necessary to establish a robust method for the rapid authentication of EBNs with small amounts of samples by simple processes. In this study, the Fourier transform infrared spectroscopy (FTIR) system was utilized and its feasibility for identification of EBNs was verified. FTIR spectra data of authentic and adulterated EBNs were analyzed by chemometrics analyses including principal component analysis, linear discriminant analysis (LDA), support vector machine (SVM) and one-class partial least squares (OCPLS). The results showed that the established LDA and SVM models performed well and had satisfactory classification ability, with the former 94.12% and the latter 100%. The OCPLS model was developed with prediction sensitivity of 0.937 and specificity of 0.886. Further detection of commercial EBN samples confirmed these results. FTIR is applicable in the scene of rapid authentication of EBNs, especially for quality supervision departments, entry-exit inspection and quarantine, and customs administration. © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

  2. [Motion control of moving mirror based on fixed-mirror adjustment in FTIR spectrometer].

    Science.gov (United States)

    Li, Zhong-bing; Xu, Xian-ze; Le, Yi; Xu, Feng-qiu; Li, Jun-wei

    2012-08-01

    The performance of the uniform motion of the moving mirror, which is the only constant motion part in FTIR spectrometer, and the performance of the alignment of the fixed mirror play a key role in FTIR spectrometer, and affect the interference effect and the quality of the spectrogram and may restrict the precision and resolution of the instrument directly. The present article focuses on the research on the uniform motion of the moving mirror and the alignment of the fixed mirror. In order to improve the FTIR spectrometer, the maglev support system was designed for the moving mirror and the phase detection technology was adopted to adjust the tilt angle between the moving mirror and the fixed mirror. This paper also introduces an improved fuzzy PID control algorithm to get the accurate speed of the moving mirror and realize the control strategy from both hardware design and algorithm. The results show that the development of the moving mirror motion control system gets sufficient accuracy and real-time, which can ensure the uniform motion of the moving mirror and the alignment of the fixed mirror.

  3. Analytical characterization of polymers used in conservation and restoration by ATR-FTIR spectroscopy.

    Science.gov (United States)

    Chércoles Asensio, Ruth; San Andrés Moya, Margarita; de la Roja, José Manuel; Gómez, Marisa

    2009-12-01

    In the last few decades many new polymers have been synthesized that are now being used in cultural heritage conservation. The physical and chemical properties and the long-term behaviors of these new polymers are determined by the chemical composition of the starting materials used in their synthesis along with the nature of the substances added to facilitate their production. The practical applications of these polymers depend on their composition and form (foam, film, sheets, pressure-sensitive adhesives, heat-seal adhesives, etc.). Some materials are used in restoration works and others for the exhibition, storage and transport of works of art. In all cases, it is absolutely necessary to know their compositions. Furthermore, many different materials that are manufactured for other objectives are also used for conservation and restoration. The technical information about the materials provided by the manufacturer is usually incomplete, so it is necessary to analytically characterize such materials. FTIR spectrometry is widely used for polymer identification, and, more recently, ATR-FTIR has been shown to give excellent results. This paper reports the ATR-FTIR analysis of samples of polymeric materials used in the conservation of artworks. These samples were examined directly in the solid material without sample preparation.

  4. [Relation between PMI and FTIR spectral changes in asphyxiated rat's liver and spleen].

    Science.gov (United States)

    Li, Shi-ying; Shao, Yu; Li, Zheng-dong; Zou, Dong-hua; Qin, Zhi-qiang; Chen, Yi-jiu; Huang, Ping

    2012-10-01

    Fourier transform infrared (FTIR) spectroscopy was applied to observe the postmortem degradation process in mechanical asphyxiated rat's liver and spleen for providing a new method of estimating PMI. Rats were sacrificed by mechanical asphyxia and cadavers were kept at (20 +/- 2) degrees C in a control chamber. The liver and spleen were sub-sampled from the same rat at intervals of 0-15 days postmortem and the data were measured by FTIR spectrometer. The different absorbance (A) ratios of peaks were calculated and the curve estimation analysis between absorbance ratios (x) and PMI (y) were performed to establish mathematical models by the statistical software. The band absorbance ratios showed increase, decrease and stable with PMI. The cubic model functions showed the strongest correlation coefficient. Compared with the spleen, the liver showed a higher correlation coefficient. The A1541/A1396 of liver showed the highest correlation coefficient (r=0.966). After 6-7 days postmortem, band absorbance ratios showed a steady period. FTIR spectroscopy can be a new and efficient method to estimate PMI within 7 days.

  5. Triglyceride dependent differentiation of obesity in adipose tissues by FTIR spectroscopy coupled with chemometrics.

    Science.gov (United States)

    Kucuk Baloglu, Fatma; Baloglu, Onur; Heise, Sebastian; Brockmann, Gudrun; Severcan, Feride

    2017-10-01

    The excess deposition of triglycerides in adipose tissue is the main reason of obesity and causes excess release of fatty acids to the circulatory system resulting in obesity and insulin resistance. Body mass index and waist circumference are not precise measure of obesity and obesity related metabolic diseases. Therefore, in the current study, it was aimed to propose triglyceride bands located at 1770-1720 cm -1 spectral region as a more sensitive obesity related biomarker using the diagnostic potential of Fourier Transform Infrared (FTIR) spectroscopy in subcutaneous (SCAT) and visceral (VAT) adipose tissues. The adipose tissue samples were obtained from 10 weeks old male control (DBA/2J) (n = 6) and four different obese BFMI mice lines (n = 6 per group). FTIR spectroscopy coupled with hierarchical cluster analysis (HCA) and principal component analysis (PCA) was applied to the spectra of triglyceride bands as a diagnostic tool in the discrimination of the samples. Successful discrimination of the obese, obesity related insulin resistant and control groups were achieved with high sensitivity and specificity. The results revealed the power of FTIR spectroscopy coupled with chemometric approaches in internal diagnosis of abdominal obesity based on the spectral differences in the triglyceride region that can be used as a spectral marker. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. FTIR and Raman spectroscopic studies of selenium nanoparticles synthesised by the bacterium Azospirillum thiophilum

    Science.gov (United States)

    Tugarova, Anna V.; Mamchenkova, Polina V.; Dyatlova, Yulia A.; Kamnev, Alexander A.

    2018-03-01

    Vibrational (Fourier transform infrared (FTIR) and Raman) spectroscopic techniques can provide unique molecular-level information on the structural and compositional characteristics of complicated biological objects. Thus, their applications in microbiology and related fields are steadily increasing. In this communication, biogenic selenium nanoparticles (Se NPs) were obtained via selenite (SeO32-) reduction by the bacterium Azospirillum thiophilum (strain VKM B-2513) for the first time, using an original methodology for obtaining extracellular NPs. Dynamic light scattering (DLS) and transmission electron microscopy (TEM) showed the Se NPs to have average diameters within 160-250 nm; their zeta potential was measured to be minus 18.5 mV. Transmission FTIR spectra of the Se NPs separated from bacterial cells showed typical proteinacious, polysaccharide and lipid-related bands, in line with TEM data showing a thin layer covering the Se NPs surface. Raman spectra of dried Se NPs layer in the low-frequency region (under 500 cm-1 down to 150 cm-1) showed a single very strong band with a maximum at 250 cm-1 which, in line with its increased width (ca. 30 cm-1 at half intensity), can be attributed to amorphous elementary Se. Thus, a combination of FTIR and Raman spectroscopic approaches is highly informative in non-destructive analysis of structural and compositional properties of biogenic Se NPs.

  7. FTIR gas analysis with improved sensitivity and selectivity for CWA and TIC detection

    Science.gov (United States)

    Phillips, Charles M.; Tan, Huwei

    2010-04-01

    This presentation describes the use of an FTIR (Fourier Transform Infrared)-based spectrometer designed to continuously monitor ambient air for the presence of chemical warfare agents (CWAs) and toxic industrial chemicals (TICs). The necessity of a reliable system capable of quickly and accurately detecting very low levels of CWAs and TICs while simultaneously retaining a negligible false alarm rate will be explored. Technological advancements in FTIR sensing have reduced noise while increasing selectivity and speed of detection. These novel analyzer design characteristics are discussed in detail and descriptions are provided which show how optical throughput, gas cell form factor, and detector response are optimized. The hardware and algorithms described here will explain why this FTIR system is very effective for the simultaneous detection and speciation of a wide variety of toxic compounds at ppb concentrations. Analytical test data will be reviewed demonstrating the system's sensitivity to and selectivity for specific CWAs and TICs; this will include recent data acquired as part of the DHS ARFCAM (Autonomous Rapid Facility Chemical Agent Monitor) project. These results include analyses of the data from live agent testing for the determination of CWA detection limits, immunity to interferences, detection times, residual noise analysis and false alarm rates. Sensing systems such as this are critical for effective chemical hazard identification which is directly relevant to the CBRNE community.

  8. FTIR study of aquamarines after gamma irradiation, heat treatment and electrodiffusion

    Energy Technology Data Exchange (ETDEWEB)

    Alkmim, Danielle Gomides; Almeida, Frederico Ozanan Tomaz de; Lameiras, Fernando Soares, E-mail: alkmia@yahoo.com.br, E-mail: fredufmg@gmail.com, E-mail: fsl@cdtn.br [Centro de Desenvolvimento da Tecnologia Nuclear (CDTN/CNEN-MG), Belo Horizonte, MG (Brazil)

    2017-07-15

    Beryl, Be{sub 3}Al{sub 2}(SiO{sub 3}){sub 6}, is a natural gemstone with many colors. Some of these colors can be induced or modified by exposure to ionizing radiation, by heating, and maybe by electrodiffusion. Small contents of chromophore chemical elements are related to the colors of beryl, like iron, chromium, vanadium, manganese, and others. There is great interest in relation to methods of improving or inducing colors in beryl. There is evidence that infrared spectroscopy (FTIR) can contribute to foresee beryl behavior submitted to procedures for color change. It was observed that electrodiffusion with or without contaminant ions did not alter the FTIR spectrum of aquamarines, unlike heat treatment. Green samples have a higher content of type I water molecules, whereas blue samples have a higher content of type II water molecules. Significant changes in FTIR spectra of aquamarines were observed only in green samples after exposure to gamma rays or to heat. The vanishing of the band at 3633 cm{sup -1} may be related to the position of Na{sup +} ion in the crystal lattice of beryl. (author)

  9. A novel betaine type asphalt emulsifier synthesized and investigated by online FTIR spectrophotometric method

    Directory of Open Access Journals (Sweden)

    Shi Laishun

    2015-01-01

    Full Text Available A novel betaine type asphalt emulsifier 3-(N,N,N-dimethyl acetoxy ammonium chloride-2-hydroxypropyl laurate was synthesized after three steps by the reaction of lauric acid, epichlorohydrin, dimethylamine and sodium chloroacetate. The optimum reaction conditions were obtained for the synthesis of the first step of 3-chloro-2-hydroxypropyl laurate. The esterification yield reaches 97.1% at the optimum conditions of reaction temperature 80ºC, reaction time 6 h, feedstock mole ratio of epichlorohydrin to lauric acid 1.5, mass ratio of catalyst to lauric acid 2%. The chemical structure of the product was characterized by FTIR and 1H NMR. The first synthesis step of 3-chloro-2-hydroxypropyl laurate was monitored by online FTIR technique. The by-product was detected by the online FTIR analysis. Based upon the experimental data, a plausible reaction mechanism was proposed for the reaction. The CMC of the objective product has a lower value of 7.4×10-4 mol/L. The surface tension at CMC is 30.85 mN/m. The emulsifier is a rapid-set asphalt emulsifier.

  10. Monitoring the Evolution of Major Chemical Compound in Dairy Products During Shelf-Life by FTIR

    Directory of Open Access Journals (Sweden)

    Adriana Păucean

    2014-11-01

    Full Text Available Fourier-transform infrared (FTIR spectroscopy is considered to be a comprehensive and sensitive method to characterize the chemical composition and for detection of molecular changes in different samples. In this study, FTIRspectroscopy  was employed as an rapid and low-cost technique in order to characterize the FTIR spectra and identify appropriate spectral regions for dairy product fermented by a lactic culture consisting by species of Lactococcus lactis and Leuconostoc mesenteroides. A second objective was to monitore the key chemical compounds (lactose, lactic acid, flavors during fermentation and refrigerated storage (1-21 days, at 4-6°C. By FT-IR fingerprint during fermentation we identified changes of the spectra pattern with specific increasing or decreasing peaks for lactose, lactic acid, esters, aromatic compounds, aminoacids, fatty acids. Also the technique was able to identify chemical compounds involved in the microbial activity such as phosphates and phosphorylated carbohydrates during fermentation and dairy product shelf-life. All the major chemical compounds recorded significant increaments during fermentation and refrigerated storage comparing with the raw milk.

  11. An FT-Raman, FT-IR, and Quantum Chemical Investigation of Stanozolol and Oxandrolone

    Directory of Open Access Journals (Sweden)

    Tibebe Lemma

    2017-12-01

    Full Text Available We have studied the Fourier Transform Infrared (FT-IR and the Fourier transform Raman (FT-Raman spectra of stanozolol and oxandrolone, and we have performed quantum chemical calculations based on the density functional theory (DFT with a B3LYP/6-31G (d, p level of theory. The FT-IR and FT-Raman spectra were collected in a solid phase. The consistency between the calculated and experimental FT-IR and FT-Raman data indicates that the B3LYP/6-31G (d, p can generate reliable geometry and related properties of the title compounds. Selected experimental bands were assigned and characterized on the basis of the scaled theoretical wavenumbers by their total energy distribution. The good agreement between the experimental and theoretical spectra allowed positive assignment of the observed vibrational absorption bands. Finally, the calculation results were applied to simulate the Raman and IR spectra of the title compounds, which show agreement with the observed spectra.

  12. FTIR study of aquamarines after gamma irradiation, heat treatment and electrodiffusion

    International Nuclear Information System (INIS)

    Alkmim, Danielle Gomides; Almeida, Frederico Ozanan Tomaz de; Lameiras, Fernando Soares

    2017-01-01

    Beryl, Be_3Al_2(SiO_3)_6, is a natural gemstone with many colors. Some of these colors can be induced or modified by exposure to ionizing radiation, by heating, and maybe by electrodiffusion. Small contents of chromophore chemical elements are related to the colors of beryl, like iron, chromium, vanadium, manganese, and others. There is great interest in relation to methods of improving or inducing colors in beryl. There is evidence that infrared spectroscopy (FTIR) can contribute to foresee beryl behavior submitted to procedures for color change. It was observed that electrodiffusion with or without contaminant ions did not alter the FTIR spectrum of aquamarines, unlike heat treatment. Green samples have a higher content of type I water molecules, whereas blue samples have a higher content of type II water molecules. Significant changes in FTIR spectra of aquamarines were observed only in green samples after exposure to gamma rays or to heat. The vanishing of the band at 3633 cm"-"1 may be related to the position of Na"+ ion in the crystal lattice of beryl. (author)

  13. FTIR study of aquamarines after gamma irradiation, heat treatment and electrodiffusion

    Directory of Open Access Journals (Sweden)

    Danielle Gomides Alkmim

    Full Text Available Abstract Beryl, Be3Al2(SiO36, is a natural gemstone with many colors. Some of these colors can be induced or modified by exposure to ionizing radiation, by heating, and maybe by electrodiffusion. Small contents of chromophore chemical elements are related to the colors of beryl, like iron, chromium, vanadium, manganese, and others. There is great interest in relation to methods of improving or inducing colors in beryl. There is evidence that infrared spectroscopy (FTIR can contribute to foresee beryl behavior submitted to procedures for color change. It was observed that electrodiffusion with or without contaminant ions did not alter the FTIR spectrum of aquamarines, unlike heat treatment. Green samples have a higher content of type I water molecules, whereas blue samples have a higher content of type II water molecules. Significant changes in FTIR spectra of aquamarines were observed only in green samples after exposure to gamma rays or to heat. The vanishing of the band at 3633 cm-1 may be related to the position of Na+ ion in the crystal lattice of beryl.

  14. Ftir study of gamma irradiation LDPE film in air; Estudo por FTIR de filme de polietileno de baixa densidade submetido a radiacao gama na presenca de oxigenio

    Energy Technology Data Exchange (ETDEWEB)

    Moura, Esperidiana A.B.; Silva, Andre L.A.; Gouvea, Paulo H.D.; Silva, Leonardo G. Andrade e [Instituto de Pesquisas Energeticas e Nucleares (IPEN), Sao Paulo, SP (Brazil). Centro de Tecnologia das Radiacoes]. E-mail: eabmoura@ipen.br, andrebarra@mackenzie.com.br, paulohdg@hotmail.com, lgasilva@ipen.br; Ortiz, Angel V. [Unipac Embalagens Ltda., Sao Paulo, SP (Brazil)]. E-mail: angelv@unipac-pack.com.br; Gouvea, Douglas; Castro, Ricardo H.R.; Wiebeck, Helio [Sao Paulo Univ., SP (Brazil). Escola Politecnica. Dept. de Engenharia Metalurgica e de Materiais]. E-mails: dgouvea@usp.br; rhrcastro@hotmail.com; hwiebeck@usp.br; Rossini, Edvaldo L. [Universidade Metodista de Sao Paulo, SP (Brazil)]. E-mail: didirossini@yahoo.com.br; Kawano, Yoshio [Sao Paulo Univ., SP (Brazil). Inst. de Quimica

    2003-07-01

    The use of the ionizing radiation for application in plastic packaging, to improve some of properties and for radiation sterilization, has been gaining popularity in the packaging industry. As a consequence of the irradiation, plastic packaging materials can undergo some chemical and physical alterations in their basic function, mainly concerning the protection characteristics. Since changes in physical properties of irradiated packaging films reflect radiation-induced chemical changes in molecular structure, in this work, an investigation was performed by Ftir analysis of LDPE film before and after radiation. Film samples were irradiated with doses between 0 Gy and 100 kGy, at room temperature and in the presence of air. The results showed alterations in the molecular structure, according to the absorbed radiation dose. (author)

  15. Drift and transmission FT-IR spectroscopy of forest soils: an approach to determine decomposition processes of forest litter

    International Nuclear Information System (INIS)

    Haberhauer, G.; Gerzabek, M.H.

    1999-06-01

    A method is described to characterize organic soil layers using Fourier transformed infrared spectroscopy. The applicability of FT-IR, either dispersive or transmission, to investigate decomposition processes of spruce litter in soil originating from three different forest sites in two climatic regions was studied. Spectral information of transmission and diffuse reflection FT-IR spectra was analyzed and compared. For data evaluation Kubelka Munk (KM) transformation was applied to the DRIFT spectra. Sample preparation for DRIFT is simpler and less time consuming in comparison to transmission FT-IR, which uses KBr pellets. A variety of bands characteristics of molecular structures and functional groups has been identified for these complex samples. Analysis of both transmission FT-IR and DRIFT, showed that the intensity of distinct bands is a measure of the decomposition of forest litter. Interferences due to water adsorption spectra were reduced by DRIFT measurement in comparison to transmission FT-IR spectroscopy. However, data analysis revealed that intensity changes of several bands of DRIFT and transmission FT-IR were significantly correlated with soil horizons. The application of regression models enables identification and differentiation of organic forest soil horizons and allows to determine the decomposition status of soil organic matter in distinct layers. On the basis of the data presented in this study, it may be concluded that FT-IR spectroscopy is a powerful tool for the investigation of decomposition dynamics in forest soils. (author)

  16. High-definition Fourier Transform Infrared (FT-IR) Spectroscopic Imaging of Human Tissue Sections towards Improving Pathology

    Science.gov (United States)

    Nguyen, Peter L.; Davidson, Bennett; Akkina, Sanjeev; Guzman, Grace; Setty, Suman; Kajdacsy-Balla, Andre; Walsh, Michael J.

    2015-01-01

    High-definition Fourier Transform Infrared (FT-IR) spectroscopic imaging is an emerging approach to obtain detailed images that have associated biochemical information. FT-IR imaging of tissue is based on the principle that different regions of the mid-infrared are absorbed by different chemical bonds (e.g., C=O, C-H, N-H) within cells or tissue that can then be related to the presence and composition of biomolecules (e.g., lipids, DNA, glycogen, protein, collagen). In an FT-IR image, every pixel within the image comprises an entire Infrared (IR) spectrum that can give information on the biochemical status of the cells that can then be exploited for cell-type or disease-type classification. In this paper, we show: how to obtain IR images from human tissues using an FT-IR system, how to modify existing instrumentation to allow for high-definition imaging capabilities, and how to visualize FT-IR images. We then present some applications of FT-IR for pathology using the liver and kidney as examples. FT-IR imaging holds exciting applications in providing a novel route to obtain biochemical information from cells and tissue in an entirely label-free non-perturbing route towards giving new insight into biomolecular changes as part of disease processes. Additionally, this biochemical information can potentially allow for objective and automated analysis of certain aspects of disease diagnosis. PMID:25650759

  17. Application of Fourier Transform Infrared Spectra (FTIR) Fingerprint in the Quality Control of Mineral Chinese Medicine Limonitum.

    Science.gov (United States)

    Liu, Sheng-jin; Yang, Huan; Wu, De-kang; Xu, Chun-xiang; Lin, Rui-chao; Tian, Jin-gai; Fang, Fang

    2015-04-01

    In the present paper, the fingerprint of Limonitum (a mineral Chinese medicine) by FTIR was established, and the spectrograms among crude samples, processed one and the adulterant sample were compared. Eighteen batches of Limonitum samples from different production areas were analyzed and the angle cosine value of transmittance (%) of common peaks was calculated to get the similarity of the FTIR fingerprints. The result showed that the similarities and the coefficients of the samples were all more than 0.90. The processed samples revealed significant differences compared with the crude one. This study analyzed the composition characteristics of Limonitum in FTIR fingerprint, and it was simple and fast to distinguish the crude, processed and the counterfeit samples. The FTIR fingerprints provide a new method for evaluating the quality of Limonitum.

  18. Analysis of European honeybee (Apis mellifera) wings using ATR-FTIR and Raman spectroscopy: A pilot study

    Czech Academy of Sciences Publication Activity Database

    Machovič, Vladimír; Lapčák, L.; Havelcová, Martina; Borecká, Lenka; Novotná, M.; Novotná, M.; Javůrková, I.; Langrová, I.; Hájková, Š.; Brožová, A.; Titěra, D.

    2017-01-01

    Roč. 48, č. 1 (2017), s. 22-29 ISSN 1211-3174 Institutional support: RVO:67985891 Keywords : honeybee wings * ATR-FTIR * Raman spectroscopy * protein * lipid * chitin Subject RIV: CB - Analytical Chemistry, Separation OBOR OECD: Analytical chemistry

  19. Identification and characterization of salmonella serotypes using DNA spectral characteristics by fourier transform infrared (FT-IR) spectroscopy

    Science.gov (United States)

    Analysis of DNA samples of Salmonella serotypes (Salmonella Typhimurium, Salmonella Enteritidis, Salmonella Infantis, Salmonella Heidelberg and Salmonella Kentucky) were performed using Fourier transform infrared spectroscopy (FT-IR) spectrometer by placing directly in contact with a diamond attenua...

  20. FT-IR imaging for quantitative determination of liver fat content in non-alcoholic fatty liver.

    Science.gov (United States)

    Kochan, K; Maslak, E; Chlopicki, S; Baranska, M

    2015-08-07

    In this work we apply FT-IR imaging of large areas of liver tissue cross-section samples (∼5 cm × 5 cm) for quantitative assessment of steatosis in murine model of Non-Alcoholic Fatty Liver (NAFLD). We quantified the area of liver tissue occupied by lipid droplets (LDs) by FT-IR imaging and Oil Red O (ORO) staining for comparison. Two alternative FT-IR based approaches are presented. The first, straightforward method, was based on average spectra from tissues and provided values of the fat content by using a PLS regression model and the reference method. The second one – the chemometric-based method – enabled us to determine the values of the fat content, independently of the reference method by means of k-means cluster (KMC) analysis. In summary, FT-IR images of large size liver sections may prove to be useful for quantifying liver steatosis without the need of tissue staining.

  1. Nano-FTIR Spectroscopy to Investigate the Silicate Mineralogy of Mercury Analogues: Supporting MERTIS Onboard BepiColombo Mission

    Science.gov (United States)

    Varatharajan, I.; Maturilli, A.; Helbert, J.; Ulrich, G.; Born, K.; Namur, O.; Kästner, B.; Hecht, L.; Charlier, B.; Hiesinger, H.

    2018-05-01

    Nano-FTIR Spectroscopy is used to investigate the silicate mineralogy of synthetic Mercury analogues produced under reduced conditions representing different Mercury terrains. The study will support MERTIS payload onboard BepiColombo mission.

  2. Qualitative analysis of thin films of crude oil deposits on the metallic substrate by Fourier transform infrared (FTIR) microscopy

    DEFF Research Database (Denmark)

    Batina, N.; Reyna-Cordova, A.; Trinidad-Reyes, Y.

    2005-01-01

    Thin films of crude oil samples were prepared for atomic force microscopy (AFM) analysis on the gold substrate. Sample preparation involved evaporation during a long (24 h) but mild thermal exposure (80 °C). Fourier transform infrared (FTIR) microscopy (reflectance spectroscopy) was employed...... of oxidation state was compared to surface morphology data by AFM previously reported. The reported results emphasize the advantage of complementary techniques (AFM/FTIR microscopy) in the analysis of petroleum thin films that should be considered during analysis and interpretation of this type of data....... to determinate the quality of the thin film surface, before the morphology characterization. The surface reflectance spectra were compared to direct transmittance FTIR of liquid oil samples. The two FTIR techniques showed different spectral characteristics related to oxygenated functionalities. This clearly...

  3. Field Implementation of Handheld FTIR Spectrometer for Polymer Content Determination and for Quality Control of RAP Mixtures : Research Project Capsule

    Science.gov (United States)

    2017-10-01

    The purpose of this research study is to determine if the implementation of FTIRS in Louisiana for determining polymer content in asphalt mixtures and for quality control of recycled asphalt mixtures is feasible. The ultimate objective is to develop ...

  4. A hybrid thermal video and FTIR spectrometer system for rapidly locating and characterizing gas leaks

    Science.gov (United States)

    Williams, David J.; Wadsworth, Winthrop; Salvaggio, Carl; Messinger, David W.

    2006-08-01

    Undiscovered gas leaks, known as fugitive emissions, in chemical plants and refinery operations can impact regional air quality and present a loss of product for industry. Surveying a facility for potential gas leaks can be a daunting task. Industrial leak detection and repair programs can be expensive to administer. An efficient, accurate and cost effective method for detecting and quantifying gas leaks would both save industries money by identifying production losses and improve regional air quality. Specialized thermal video systems have proven effective in rapidly locating gas leaks. These systems, however, do not have the spectral resolution for compound identification. Passive FTIR spectrometers can be used for gas compound identification, but using these systems for facility surveys is problematic due to their small field of view. A hybrid approach has been developed that utilizes the thermal video system to locate gas plumes using real time visualization of the leaks, coupled with the high spectral resolution FTIR spectrometer for compound identification and quantification. The prototype hybrid video/spectrometer system uses a sterling cooled thermal camera, operating in the MWIR (3-5 μm) with an additional notch filter set at around 3.4 μm, which allows for the visualization of gas compounds that absorb in this narrow spectral range, such as alkane hydrocarbons. This camera is positioned alongside of a portable, high speed passive FTIR spectrometer, which has a spectral range of 2 - 25 μm and operates at 4 cm -1 resolution. This system uses a 10 cm telescope foreoptic with an onboard blackbody for calibration. The two units are optically aligned using a turning mirror on the spectrometer's telescope with the video camera's output.

  5. Application of FT-IR spectroscopy on breast cancer serum analysis

    Science.gov (United States)

    Elmi, Fatemeh; Movaghar, Afshin Fayyaz; Elmi, Maryam Mitra; Alinezhad, Heshmatollah; Nikbakhsh, Novin

    2017-12-01

    Breast cancer is regarded as the most malignant tumor among women throughout the world. Therefore, early detection and proper diagnostic methods have been known to help save women's lives. Fourier Transform Infrared (FT-IR) spectroscopy, coupled with PCA-LDA analysis, is a new technique to investigate the characteristics of serum in breast cancer. In this study, 43 breast cancer and 43 healthy serum samples were collected, and the FT-IR spectra were recorded for each one. Then, PCA analysis and linear discriminant analysis (LDA) were used to analyze the spectral data. The results showed that there were differences between the spectra of the two groups. Discriminating wavenumbers were associated with several spectral differences over the 950-1200 cm- 1(sugar), 1190-1350 cm- 1 (collagen), 1475-1710 cm- 1 (protein), 1710-1760 cm- 1 (ester), 2800-3000 cm- 1 (stretching motions of -CH2 & -CH3), and 3090-3700 cm- 1 (NH stretching) regions. PCA-LDA performance on serum IR could recognize changes between the control and the breast cancer cases. The diagnostic accuracy, sensitivity, and specificity of PCA-LDA analysis for 3000-3600 cm- 1 (NH stretching) were found to be 83%, 84%, 74% for the control and 80%, 76%, 72% for the breast cancer cases, respectively. The results showed that the major spectral differences between the two groups were related to the differences in protein conformation in serum samples. It can be concluded that FT-IR spectroscopy, together with multivariate data analysis, is able to discriminate between breast cancer and healthy serum samples.

  6. Study of consumer fireworks post-blast residues by ATR-FTIR.

    Science.gov (United States)

    Martín-Alberca, Carlos; Zapata, Félix; Carrascosa, Héctor; Ortega-Ojeda, Fernando E; García-Ruiz, Carmen

    2016-03-01

    Specific analytical procedures are requested for the forensic analysis of pre- and post-blast consumer firework samples, which present significant challenges. Up to date, vibrational spectroscopic techniques such as Fourier transform infrared spectroscopy (FTIR) have not been tested for the analysis of post-blast residues in spite of their interesting strengths for the forensic field. Therefore, this work proposes a simple and fast procedure for the sampling and analysis of consumer firework post-blast residues by a portable FTIR instrument with an Attenuated Total Reflection (ATR) accessory. In addition, the post-blast residues spectra of several consumer fireworks were studied in order to achieve the identification of their original chemical compositions. Hence, this work analysed 22 standard reagents usually employed to make consumer fireworks, or because they are related to their combustion products. Then, 5 different consumer fireworks were exploded, and their residues were sampled with dry cotton swabs and directly analysed by ATR-FTIR. In addition, their pre-blast fuses and charges were also analysed in order to stablish a proper comparison. As a result, the identification of the original chemical compositions of the post-blast samples was obtained. Some of the compounds found were potassium chlorate, barium nitrate, potassium nitrate, potassium perchlorate or charcoal. An additional study involving chemometric tools found that the results might greatly depend on the swab head type used for the sampling, and its sampling efficiency. The proposed procedure could be used as a complementary technique for the analysis of consumer fireworks post-blast residues. Copyright © 2015 Elsevier B.V. All rights reserved.

  7. Aberration-free FTIR spectroscopic imaging of live cells in microfluidic devices.

    Science.gov (United States)

    Chan, K L Andrew; Kazarian, Sergei G

    2013-07-21

    The label-free, non-destructive chemical analysis offered by FTIR spectroscopic imaging is a very attractive and potentially powerful tool for studies of live biological cells. FTIR imaging of live cells is a challenging task, due to the fact that cells are cultured in an aqueous environment. While the synchrotron facility has proven to be a valuable tool for FTIR microspectroscopic studies of single live cells, we have demonstrated that high quality infrared spectra of single live cells using an ordinary Globar source can also be obtained by adding a pair of lenses to a common transmission liquid cell. The lenses, when placed on the transmission cell window, form pseudo hemispheres which removes the refraction of light and hence improve the imaging and spectral quality of the obtained data. This study demonstrates that infrared spectra of single live cells can be obtained without the focus shifting effect at different wavenumbers, caused by the chromatic aberration. Spectra of the single cells have confirmed that the measured spectral region remains in focus across the whole range, while spectra of the single cells measured without the lenses have shown some erroneous features as a result of the shift of focus. It has also been demonstrated that the addition of lenses can be applied to the imaging of cells in microfabricated devices. We have shown that it was not possible to obtain a focused image of an isolated cell in a droplet of DPBS in oil unless the lenses are applied. The use of the approach described herein allows for well focused images of single cells in DPBS droplets to be obtained.

  8. Fluorescence, aggregation properties and FT-IR microspectroscopy of elastin and collagen fibers.

    Science.gov (United States)

    Vidal, Benedicto de Campos

    2014-10-01

    Histological and histochemical observations support the hypothesis that collagen fibers can link to elastic fibers. However, the resulting organization of elastin and collagen type complexes and differences between these materials in terms of macromolecular orientation and frequencies of their chemical vibrational groups have not yet been solved. This study aimed to investigate the macromolecular organization of pure elastin, collagen type I and elastin-collagen complexes using polarized light DIC-microscopy. Additionally, differences and similarities between pure elastin and collagen bundles (CB) were investigated by Fourier transform-infrared (FT-IR) microspectroscopy. Although elastin exhibited a faint birefringence, the elastin-collagen complex aggregates formed in solution exhibited a deep birefringence and formation of an ordered-supramolecular complex typical of collagen chiral structure. The FT-IR study revealed elastin and CB peptide NH groups involved in different types of H-bonding. More energy is absorbed in the vibrational transitions corresponding to CH, CH2 and CH3 groups (probably associated with the hydrophobicity demonstrated by 8-anilino-1-naphtalene sulfonic acid sodium salt [ANS] fluorescence), and to νCN, δNH and ωCH2 groups of elastin compared to CB. It is assumed that the α-helix contribution to the pure elastin amide I profile is 46.8%, whereas that of the B-sheet is 20% and that unordered structures contribute to the remaining percentage. An FT-IR profile library reveals that the elastin signature within the 1360-1189cm(-1) spectral range resembles that of Conex-Toray aramid fibers. Copyright © 2014 Elsevier GmbH. All rights reserved.

  9. FT-IR spectroscopic studies of protein secondary structures for breast cancer diagnosis

    International Nuclear Information System (INIS)

    Karamancheva, I; Simonova, D.; Milev, A.

    2013-01-01

    Full text: Roughly 14 million new cancer cases and 8 million cancer deaths have occurred worldwide in 2012. At least 30 % of all cancer cases and 40 % of the cancer deaths should be avoided by improving the early detection. Fourier transform infrared (FT-IR) spectroscopy has shown many advantages as a tool for the detection of cancer over the traditional methods such as histopathological analysis, X-ray transmission, ultrasonic and computer tomography techniques. With the aim to establish the FT-IR spectroscopy as an alternative method for the diagnosis of human cancers, we have made several studies to examine in details the spectroscopic properties of normal and carcinomatous tissues. Human breast tissues were obtained immediately after surgical breast resection with the informed patient's consent. In our studies we made extensive use of Fourier self-deconvolution, second-order derivatization, difference spectra, curve-fitting procedures and quantitative determinations according to Beer's law. Cancer is a multi-step process. Characteristic differences in both the frequencies and the intensity ratios of several bands have been revealed. Considerable differences have been found in the spectral patterns. The most important and informative region in the mid-IR for determination of protein secondary structure is the amide I and amide II region. The bands between 1730 and 1600 cm -1 are highly sensitive to conformational changes. Considerable changes were observed in the A1735/A1652 absorbance ratio, which provides a measure for the content of a- helix and P-sheet domains. Our investigations have shown that the major biomarker peaks are in the amide I and amide II regions. In the so called 'fingerprint region' many molecular constituents such as lipids, phospholipids, proteins, DNA and RNA, carbohydrates and metabolites may overlap and the quantitative interpretation is impossible. The spectrum may therefore reflect only the average biochemical composition.; key words

  10. 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

  11. Heterogeneity of shale documented by micro-FTIR and image analysis.

    Science.gov (United States)

    Chen, Yanyan; Mastalerz, Maria; Schimmelmann, Arndt

    2014-12-01

    In this study, four New Albany Shale Devonian and Mississippian samples, with vitrinite reflectance [Ro ] values ranging from 0.55% to 1.41%, were analyzed by micro-FTIR mapping of chemical and mineralogical properties. One additional postmature shale sample from the Haynesville Shale (Kimmeridgian, Ro = 3.0%) was included to test the limitation of the method for more mature substrates. Relative abundances of organic matter and mineral groups (carbonates, quartz and clays) were mapped across selected microscale regions based on characteristic infrared peaks and demonstrated to be consistent with corresponding bulk compositional percentages. Mapped distributions of organic matter provide information on the organic matter abundance and the connectivity of organic matter within the overall shale matrix. The pervasive distribution of organic matter mapped in the New Albany Shale sample MM4 is in agreement with this shale's high total organic carbon abundance relative to other samples. Mapped interconnectivity of organic matter domains in New Albany Shale samples is excellent in two early mature shale samples having Ro values from 0.55% to 0.65%, then dramatically decreases in a late mature sample having an intermediate Ro of 1.15% and finally increases again in the postmature sample, which has a Ro of 1.41%. Swanson permeabilities, derived from independent mercury intrusion capillary pressure porosimetry measurements, follow the same trend among the four New Albany Shale samples, suggesting that micro-FTIR, in combination with complementary porosimetric techniques, strengthens our understanding of porosity networks. In addition, image processing and analysis software (e.g. ImageJ) have the capability to quantify organic matter and total organic carbon - valuable parameters for highly mature rocks, because they cannot be analyzed by micro-FTIR owing to the weakness of the aliphatic carbon-hydrogen signal. © 2014 The Authors Journal of Microscopy © 2014 Royal

  12. Evaluation of Polymerization Efficacy in Composite Resins via FT-IR Spectroscopy and Vickers Microhardness Test

    Directory of Open Access Journals (Sweden)

    Tahereh-Sadat Jafarzadeh

    2015-12-01

    Full Text Available Background and aims. Polymerization efficacy affects the properties and performance of composite resin restorations.The purpose of this study was to evaluate the effectiveness of polymerization of two micro-hybrid, two nano-hybrid and one nano-filled ormocer-based composite resins, cured by two different light-curing systems, using Fourier transformation infrared (FT-IR spectroscopy and Vickers microhardness testing at two different depths (top surface, 2 mm. Materials and methods. For FT-IR spectrometry, five cylindrical specimens (5mm in diameter × 2 mm in length were prepared from each composite resin using Teflon molds and polymerized for 20 seconds. Then, 70-μm wafers were sectioned at the top surface and at2mm from the top surface. The degree of conversion for each sample was calculated using FT-IR spectroscopy. For Vickers micro-hardness testing, three cylindrical specimens were prepared from each composite resin and polymerized for 20 seconds. The Vickers microhardness test (Shimadzu, Type M, Japan was performed at the top and bottom (depth=2 mm surfaces of each specimen. Three-way ANOVA with independent variables and Tukey tests were performed at 95% significance level. Results. No significant differences were detected in degree of conversion and microhardness between LED and QTH light-curing units except for the ormocer-based specimen, CeramX, which exhibited significantly higher DC by LED. All the composite resins showed a significantly higher degree of conversion at the surface. Microhardness was not significantly affected by depth, except for Herculite XRV Ultra and CeramX, which showed higher values at the surface. Conclusion. Composite resins containing nano-particles generally exhibited more variations in degree of conversion and microhardness.

  13. Detection and quantification of poliovirus infection using FTIR spectroscopy and cell culture

    Directory of Open Access Journals (Sweden)

    Lee-Montiel Felipe T

    2011-12-01

    Full Text Available Abstract Background In a globalized word, prevention of infectious diseases is a major challenge. Rapid detection of viable virus particles in water and other environmental samples is essential to public health risk assessment, homeland security and environmental protection. Current virus detection methods, especially assessing viral infectivity, are complex and time-consuming, making point-of-care detection a challenge. Faster, more sensitive, highly specific methods are needed to quantify potentially hazardous viral pathogens and to determine if suspected materials contain viable viral particles. Fourier transform infrared (FTIR spectroscopy combined with cellular-based sensing, may offer a precise way to detect specific viruses. This approach utilizes infrared light to monitor changes in molecular components of cells by tracking changes in absorbance patterns produced following virus infection. In this work poliovirus (PV1 was used to evaluate the utility of FTIR spectroscopy with cell culture for rapid detection of infective virus particles. Results Buffalo green monkey kidney (BGMK cells infected with different virus titers were studied at 1 - 12 hours post-infection (h.p.i.. A partial least squares (PLS regression method was used to analyze and model cellular responses to different infection titers and times post-infection. The model performs best at 8 h.p.i., resulting in an estimated root mean square error of cross validation (RMSECV of 17 plaque forming units (PFU/ml when using low titers of infection of 10 and 100 PFU/ml. Higher titers, from 103 to 106 PFU/ml, could also be reliably detected. Conclusions This approach to poliovirus detection and quantification using FTIR spectroscopy and cell culture could potentially be extended to compare biochemical cell responses to infection with different viruses. This virus detection method could feasibly be adapted to an automated scheme for use in areas such as water safety monitoring and

  14. Evaluation of Polymerization Efficacy in Composite Resins via FT-IR Spectroscopy and Vickers Microhardness Test.

    Science.gov (United States)

    Jafarzadeh, Tahereh-Sadat; Erfan, Mohammad; Behroozibakhsh, Marjan; Fatemi, Mostafa; Masaeli, Reza; Rezaei, Yashar; Bagheri, Hossein; Erfan, Yasaman

    2015-01-01

    Background and aims. Polymerization efficacy affects the properties and performance of composite resin restorations.The purpose of this study was to evaluate the effectiveness of polymerization of two micro-hybrid, two nano-hybrid and one nano-filled ormocer-based composite resins, cured by two different light-curing systems, using Fourier transformation infrared (FT-IR) spectroscopy and Vickers microhardness testing at two different depths (top surface, 2 mm). Materials and methods. For FT-IR spectrometry, five cylindrical specimens (5mm in diameter × 2 mm in length) were prepared from each composite resin using Teflon molds and polymerized for 20 seconds. Then, 70-μm wafers were sectioned at the top surface and at2mm from the top surface. The degree of conversion for each sample was calculated using FT-IR spectroscopy. For Vickers micro-hardness testing, three cylindrical specimens were prepared from each composite resin and polymerized for 20 seconds. The Vickers microhardness test (Shimadzu, Type M, Japan) was performed at the top and bottom (depth=2 mm) surfaces of each specimen. Three-way ANOVA with independent variables and Tukey tests were performed at 95% significance level. Results. No significant differences were detected in degree of conversion and microhardness between LED and QTH light-curing units except for the ormocer-based specimen, CeramX, which exhibited significantly higher DC by LED. All the composite resins showed a significantly higher degree of conversion at the surface. Microhardness was not significantly affected by depth, except for Herculite XRV Ultra and CeramX, which showed higher values at the surface. Conclusion. Composite resins containing nano-particles generally exhibited more variations in degree of conversion and microhardness.

  15. Typing some of lactic acid bacteria in Syria using PCR and FT-IR techniques

    International Nuclear Information System (INIS)

    Al-Mariri, A.; Sharabi, N. D.

    2008-11-01

    Lactic Acid Bacteria (LAB) are considered to be the most useful microorganisms. They are beneficial in flavoring foods, inhibiting pathogenic as well as spoilage bacteria in food products. The isolates of LAB were obtained from traditional Syrian dairy products (white cheese and curdled yogurt) obtained from different regions in Syria. The isolates were subjected to phenotypic characterization analyses. The PCR technique of bacterial DNA was evaluated as an advanced tool for the identification of LAB. It was found that strains: E. faecium, E. faecalis and S. thermophilus dominate in white cheese and in yogurt. Our results demonstrated that we could identify LAB using Fourier transform infrared spectroscopy (FT-IR) patterns. (Authors)

  16. Typing some of lactic acid bacteria in Syria using PCR and FT-IR techniques

    Energy Technology Data Exchange (ETDEWEB)

    Al-Mariri, A; Sharabi, N D [Atomic Energy Commission, Damascus (Syrian Arab Republic), Dept. of Molecular Biology and Biotechnology

    2008-11-15

    Lactic Acid Bacteria (LAB) are considered to be the most useful microorganisms. They are beneficial in flavoring foods, inhibiting pathogenic as well as spoilage bacteria in food products. The isolates of LAB were obtained from traditional Syrian dairy products (white cheese and curdled yogurt) obtained from different regions in Syria. The isolates were subjected to phenotypic characterization analyses. The PCR technique of bacterial DNA was evaluated as an advanced tool for the identification of LAB. It was found that strains: E. faecium, E. faecalis and S. thermophilus dominate in white cheese and in yogurt. Our results demonstrated that we could identify LAB using Fourier transform infrared spectroscopy (FT-IR) patterns. (Authors)

  17. Application of FTIR Spectroscopy for Assessment of Green Coffee Beans According to Their Origin

    Science.gov (United States)

    Obeidat, S. M.; Hammoudeh, A. Y.; Alomary, A. A.

    2018-01-01

    Samples of green coffee beans originating from five different countries were ground and analyzed using FTIR spectra in the region of 600-4000 cm-1. Successful discrimination of each coffee type based on their origin was achieved applying a PCA algorithm on the obtained IR spectra for all samples. PCA loading plots show that the IR bands at 2850, 2920, and 1745 cm-1 corresponding to the symmetric, and antisymmetric vibrations of CH2 and the stretching vibration of C=O bond in ester, respectively, are the most significant peaks in distinguishing the origin of the above coffee samples.

  18. Vacuum FTIR Observation on the Dynamic Hygroscopicity of Aerosols under Pulsed Relative Humidity.

    Science.gov (United States)

    Leng, Chun-Bo; Pang, Shu-Feng; Zhang, Yun; Cai, Chen; Liu, Yong; Zhang, Yun-Hong

    2015-08-04

    A novel approach based on a combination of a pulse RH controlling system and a rapid scan vacuum FTIR spectrometer (PRHCS-RSVFTIR) was utilized to investigate dynamic hygroscopicity of two atmospheric aerosols: ammonium sulfate ((NH4)2SO4) and magnesium sulfate (MgSO4). In this approach, rapid-scan infrared spectra of water vapor and aerosols were obtained to determine relative humidity (RH) in sample cell and hygroscopic property of aerosols with a subsecond time resolution. Heterogeneous nucleation rates of (NH4)2SO4 were, for the first time, measured under low RH conditions (nucleation kinetics of liquid aerosols.

  19. FT-IR spectroscopic analysis for studying Clostridium cell response to conversion of enzymatically hydrolyzed hay

    Science.gov (United States)

    Grube, Mara; Gavare, Marita; Nescerecka, Alina; Tihomirova, Kristina; Mezule, Linda; Juhna, Talis

    2013-07-01

    Grass hay is one of assailable cellulose containing non-food agricultural wastes that can be used as a carbohydrate source by microorganisms producing biofuels. In this study three Clostridium strains Clostridium acetobutylicum, Clostridium beijerinckii and Clostridium tetanomorphum, capable of producing acetone, butanol and ethanol (ABE) were adapted to convert enzymatically hydrolyzed hay used as a growth media additive. The results of growth curves, substrate degradation kinetics and FT-IR analyses of bacterial biomass macromolecular composition showed diverse strain-specific cell response to the growth medium composition.

  20. Analysis of the corrosion products on galvanized steels by FTIR spectroscopy

    International Nuclear Information System (INIS)

    Kasperek, J.

    1998-01-01

    FTIR reflectance spectroscopy has been used for the characterization of products formed by an accelerated wet ageing test on industrial hot-dip galvanized steel. Several aluminium contents are selected. Various products have been detected in this study. The kind and amount vary with the substrate, the type of ageing test used, the relative humidity level and the temperature. The galvanized coatings studied show a mixed zinc-aluminium compound, Zn 6 Al 2 (OH) 16 CO 3 .4H 2O. This phase is observed from the first exposure time on all coatings regardless of the amount of aluminium. Contrary to zinc, no basic aluminium compound has been detected. (orig.)

  1. Authenticity study of Phyllanthus species by NMR and FT-IR techniques coupled with chemometric methods

    International Nuclear Information System (INIS)

    Santos, Maiara S.; Pereira-Filho, Edenir R.; Ferreira, Antonio G.; Boffo, Elisangela F.; Figueira, Glyn M.

    2012-01-01

    The importance of medicinal plants and their use in industrial applications is increasing worldwide, especially in Brazil. Phyllanthus species, popularly known as 'quebra-pedras' in Brazil, are used in folk medicine for treating urinary infections and renal calculus. This paper reports an authenticity study, based on herbal drugs from Phyllanthus species, involving commercial and authentic samples using spectroscopic techniques: FT-IR, 1 H HR-MAS NMR and 1 H NMR in solution, combined with chemometric analysis. The spectroscopic techniques evaluated, coupled with chemometric methods, have great potential in the investigation of complex matrices. Furthermore, several metabolites were identified by the NMR techniques. (author)

  2. FTIR ANALYSIS OF PAINTING MATERIALS FROM THE CHURCH SAINT PARASCHIVA, OF POIENILE IZEI, MARAMUREŞ, ROMANIA

    Directory of Open Access Journals (Sweden)

    Constantin MARUŢOIU

    2011-03-01

    Full Text Available This paper presents the research and the t results of FTIR analyses on samples of immobile paintings on the wooden walls, taken from the Church Saint Paraschiva from the Village of Poienile Izei, county of Maramureş,Romania, a UNESCO World Heritage List monument. These analyses were meant to certify the type and origin of the materials used in the grounding and paint layers of the late 18th c. pictures inside this wooden church. The results obtained, revealed us that other materials had been used than expected. Results also can help in the future conservation-restoration intervention, especially in cleaning and retouching.

  3. Authenticity study of Phyllanthus species by NMR and FT-IR Techniques coupled with chemometric methods

    Directory of Open Access Journals (Sweden)

    Maiara S. Santos

    2012-01-01

    Full Text Available The importance of medicinal plants and their use in industrial applications is increasing worldwide, especially in Brazil. Phyllanthus species, popularly known as "quebra-pedras" in Brazil, are used in folk medicine for treating urinary infections and renal calculus. This paper reports an authenticity study, based on herbal drugs from Phyllanthus species, involving commercial and authentic samples using spectroscopic techniques: FT-IR, ¹H HR-MAS NMR and ¹H NMR in solution, combined with chemometric analysis. The spectroscopic techniques evaluated, coupled with chemometric methods, have great potential in the investigation of complex matrices. Furthermore, several metabolites were identified by the NMR techniques.

  4. Matrix isolation and low temperature solid state FTIR spectroscopic study of alpha-furil

    OpenAIRE

    Lopes, Susy; Gómez-Zavaglia, Andrea; Fausto, Rui

    2006-01-01

    Alpha-furil [C(4)H(3)O-C(=O)-C(=O)-C(4)H(3)O] has been isolated in argon and xenon matrices and studied by FTIR spectroscopy, supported by DFT(B3LYP)/6-311++G(d,p) calculations. The obtained spectra were fully assigned and revealed the presence in the matrices of three different conformers, all of them exhibiting skewed conformations around the intercarbonyl bond with the two C(4)H(3)O-C(=O) fragments nearly planar. The three conformers differ in the orientation of the furan rings relative to...

  5. Matrix isolation FT-IR spectroscopy and molecular orbital study of sarcosine methyl ester

    OpenAIRE

    Gómez-Zavaglia, Andrea; Fausto, R.

    2004-01-01

    N-methylglycine methyl ester (sarcosine-Me) has been studied by matrix isolation FT-IR spectroscopy and molecular orbital calculations undertaken at the DFT/B3LYP and MP2 levels of theory with the 6-311++G(d,p) and 6-31++G(d,p) basis set, respectively. Twelve different conformers were located in the potential energy surface of the studied compound, with the ASC conformer being the ground conformational state. This form is analogous to the dimethylglycine methyl ester most stable conformer and...

  6. Correlation Study of PVDF Membrane Morphology with Protein Adsorption: Quantitative Analysis by FTIR/ATR Technique

    Science.gov (United States)

    Ideris, N.; Ahmad, A. L.; Ooi, B. S.; Low, S. C.

    2018-05-01

    Microporous PVDF membranes were used as protein capture matrices in immunoassays. Because the most common labels in immunoassays were detected based on the colour change, an understanding of how protein concentration varies on different PVDF surfaces was needed. Herein, the correlation between the membrane pore size and protein adsorption was systematically investigated. Five different PVDF membrane morphologies were prepared and FTIR/ATR was employed to accurately quantify the surface protein concentration on membranes with small pore sizes. SigmaPlot® was used to find a suitable curve fit for protein adsorption and membrane pore size, with a high correlation coefficient, R2, of 0.9971.

  7. Authenticity study of Phyllanthus species by NMR and FT-IR techniques coupled with chemometric methods

    Energy Technology Data Exchange (ETDEWEB)

    Santos, Maiara S.; Pereira-Filho, Edenir R.; Ferreira, Antonio G. [Universidade Federal de Sao Carlos (UFSCAR), SP (Brazil). Dept. de Quimica; Boffo, Elisangela F. [Universidade Federal da Bahia (UFBA), Salvador, BA (Brazil). Inst. de Quimica; Figueira, Glyn M., E-mail: maiarassantos@yahoo.com.br [Universidade Estadual de Campinas (UNICAMP), Campinas, SP (Brazil). Centro Pluridisciplinar de Pesquisas Quimicas, Biologicas e Agricolas

    2012-07-01

    The importance of medicinal plants and their use in industrial applications is increasing worldwide, especially in Brazil. Phyllanthus species, popularly known as 'quebra-pedras' in Brazil, are used in folk medicine for treating urinary infections and renal calculus. This paper reports an authenticity study, based on herbal drugs from Phyllanthus species, involving commercial and authentic samples using spectroscopic techniques: FT-IR, {sup 1}H HR-MAS NMR and {sup 1}H NMR in solution, combined with chemometric analysis. The spectroscopic techniques evaluated, coupled with chemometric methods, have great potential in the investigation of complex matrices. Furthermore, several metabolites were identified by the NMR techniques. (author)

  8. Typing some of lactic acid bacteria in Syria using PCR and FT-IR techniques

    International Nuclear Information System (INIS)

    Al-Mariri, A.; Sharabi, N. D.

    2010-01-01

    Lactic Acid Bacteria (LAB) are considered to be the most useful microorganisms. They are beneficial in flavoring foods, inhibiting pathogenic as well as spoilage bacteria in food products. The isolates of LAB were obtained from traditional Syrian dairy products (white cheese and curdled yogurt) obtained from different regions in Syria. The isolates were subjected to phenotypic characterization analyses. The PCR technique of bacterial DNA was evaluated as an advanced tool for the identification of LAB. It was found that strains: E. faecium, E. faecalis and S. thermophilus dominate in white cheese and in yogurt. Our results demonstrated that we could identify LAB using Fourier transform infrared spectroscopy (FT-IR) patterns. (author)

  9. FTIR and dielectric studies of molecular interaction between alkyl methacrylates and primary alcohols

    International Nuclear Information System (INIS)

    Dharmalingam, K.; Ramachandran, K.; Sivagurunathan, P.

    2007-01-01

    The molecular interaction between alkyl methacrylates (methyl methacrylate, ethyl methacrylate and butyl methacrylate) and primary alcohols (1-propanol, 1-butanol, 1-pentanol, 1-heptanol, 1-octanol and 1-decanol) has been studied in carbon tetrachloride by FTIR spectroscopic and dielectric methods. The results show that the most likely association between alcohol and ester is 1:1 complex through the free hydroxyl group of the alcohol and the carbonyl group of ester, and the alkyl chain length of both the alcohols and esters plays an important role in the determination of the strength of hydrogen bond (O-H:O=C) formed

  10. [Application of FT-IR pattern recognition method for the quality control of pharmaceutical ingredients].

    Science.gov (United States)

    Horgos, József; Kóger, Péter; Zelkó, Romána

    2009-01-01

    Nowadays infrared spectroscopy and chemometrics have proven their effectiveness for both qualitative and quantitative analyses in different fields like agriculture, food, chemical and oil industry. Furier Transformation Infrared Spectroscopy (FT-IR) combined with Attenuated Total Reflectance (ATR) plate is a fast identification instrument. It is suitable for analysis of solid and liquid phase, too. Associated with chemometrics, it would be a powerful tool for the pharmaceutical wholesalers to detect the insufficient quality of pharmaceutical ingredients. In the present study beside the review of the infra red technology, pharmaceutical ingredients were examined with the help of our spectra library.

  11. FTIR study of carbon monoxide adsorption on ion-exchanged X, Y and mordenite type zeolites

    Directory of Open Access Journals (Sweden)

    R. HERCIGONJA

    2003-05-01

    Full Text Available In this work Fourier transform infrared (FTIR study has been applied to study the adsorption of carbon monoxide on transition metal (Mn+, Co2+, Ni2+ ion-exchanged zeolites type Y, X and mordenites. The adsorption of CO at room temperature produces overlapping IR absorption bands in the 2120–2200 cm-1 region. The frequency of the band around 2200 cm-1 is found to be dependent not only on the charge-balancing transition metal cation, but also on the framework composition. The frequencies of the band near 1600 cm-1 was found to be dependent on the Si/Al ratio of the investigated zeolites.

  12. Authenticity study of Phyllanthus species by NMR and FT-IR techniques coupled with chemometric methods

    Energy Technology Data Exchange (ETDEWEB)

    Santos, Maiara S.; Pereira-Filho, Edenir R.; Ferreira, Antonio G. [Universidade Federal de Sao Carlos (UFSCAR), SP (Brazil). Dept. de Quimica; Boffo, Elisangela F. [Universidade Federal da Bahia (UFBA), Salvador, BA (Brazil). Inst. de Quimica; Figueira, Glyn M., E-mail: maiarassantos@yahoo.com.br [Universidade Estadual de Campinas (UNICAMP), Campinas, SP (Brazil). Centro Pluridisciplinar de Pesquisas Quimicas, Biologicas e Agricolas

    2012-07-01

    The importance of medicinal plants and their use in industrial applications is increasing worldwide, especially in Brazil. Phyllanthus species, popularly known as 'quebra-pedras' in Brazil, are used in folk medicine for treating urinary infections and renal calculus. This paper reports an authenticity study, based on herbal drugs from Phyllanthus species, involving commercial and authentic samples using spectroscopic techniques: FT-IR, {sup 1}H HR-MAS NMR and {sup 1}H NMR in solution, combined with chemometric analysis. The spectroscopic techniques evaluated, coupled with chemometric methods, have great potential in the investigation of complex matrices. Furthermore, several metabolites were identified by the NMR techniques. (author)

  13. Solid-state 29Si NMR and FTIR analyses of lignin-silica coprecipitates

    DEFF Research Database (Denmark)

    Cabrera Orozco, Yohanna; Cabrera, Andrés; Larsen, Flemming Hofmann

    2016-01-01

    When agricultural residues are processed to ethanol, lignin and silica are some of the main byproducts. Separation of these two products is difficult and the chemical interactions between lignin and silica are not well described. In the present study, the effect of lignin-silica complexing has been...... investigated by characterizing lignin and silica coprecipitates by FTIR and solid state NMR. Silica particles were coprecipitated with three different lignins, three lignin model compounds, and two silanes representing silica-in-lignin model compounds. Comparison of 29Si SP/MAS NMR spectra revealed differences...

  14. Photoacoustic spectroscopy, FTIR spectra and thermal diffusivity investigation of emeraldine pellet

    International Nuclear Information System (INIS)

    Phing, T.E.; Fanny, C.Y.J.; Wan Mahmood Mat Yunus

    2001-01-01

    Photoacoustic spectra for both emeraldine base and emeraldine salt in bulk form were measured in the wavelength range of 350 nm to 700 nm. The Fourier transform Infrared spectroscopy (FTIR) have also been studied to determine the structure changes due to the protonation process. For the thermal diffusivity measurement, the open photoacoustic cell (OPC) technique has been used. It was found that the emeraldine salt exhibit higher thermal diffusivity compare to emeraldine base and this is similar to the higher conductivity characteristics of emeraldine salt. (Author)

  15. Using FT-IR Spectroscopy to Elucidate the Structures of Ablative Polymers

    Science.gov (United States)

    Fan, Wendy

    2011-01-01

    The composition and structure of an ablative polymer has a multifaceted influence on its thermal, mechanical and ablative properties. Understanding the molecular level information is critical to the optimization of material performance because it helps to establish correlations with the macroscopic properties of the material, the so-called structure-property relationship. Moreover, accurate information of molecular structures is also essential to predict the thermal decomposition pathways as well as to identify decomposition species that are fundamentally important to modeling work. In this presentation, I will describe the use of infrared transmission spectroscopy (FT-IR) as a convenient tool to aid the discovery and development of thermal protection system materials.

  16. Multi-Gas analysis of ambient air using FTIR spectroscopy over Mexico City

    Energy Technology Data Exchange (ETDEWEB)

    Grutter, Michel [Centro de Ciencias de la Atmosfera, Universidad Nacional Autonoma de Mexico (UNAM), Mexico, D.F. (Mexico)

    2003-01-01

    A Fourier Transform Infrared (FTIR) spectrometer was used to analyze the composition of ambient air at a specific site in Mexico City metropolitan area. A continuous flow of air was passed through a multi-pass cell and the absorption spectra were collected over a period of two weeks. Quantitative analysis was performed by means of the classical-least square (CLS) method using synthetically generated spectra as references and calibration sources. Ambient levels of CO, CO{sup 2}, CH{sub 4} and N{sub 2}O are reported with a time resolution of five minutes for September 2001, showing interesting results in their diurnal patterns. Comments on the precision, detection limits and signal to noise of the instrument are included for the evaluation of this technique. Water concentrations were estimated and compared with those obtained with a relative humidity sensor. The technique of extractive FTIR for ambient trace gas monitoring was utilized in Mexico for the fist time and some potential applications are given. [Spanish] Se utilizo un espectrometro en el infrarrojo por transformadas de Fourier (FTIR) para analizar la composicion de aire ambiente en un sitio de la zona metropolitana de la Ciudad de Mexico. Para ello se introdujo un flujo constante de aire a una celda de gases de paso multiple y se colectaron los espectros durante un periodo de dos semanas. Para el analisis cuantitativo, se aplico el metodo clasico de minimos cuadrados (CLS) utilizando espectros sinteticos como referencias y fuentes de calibracion. Se observaron patrones interesantes en los niveles ambientales de CO, CO{sup 2}, CH{sub 4} y N{sub 2}O, los cuales son reportados con una resolucion temporal de cinco minutos para el mes de septiembre del 2001. En la evaluacion de esta tecnica se incluyen comentarios sobre la precision, los limites de deteccion, asi como de la relacion senal/ruido del instrumento. Se estimaron concentraciones de vapor de agua a traves de sus absorciones en el infrarrojo y se

  17. FTIR-Microscopy Of Organic Microphases In Pharaonic Mummy Hair Samples

    Science.gov (United States)

    Kellner, Robert A.; Minich, Ch.; Iskander, N.; Khater, M. M.

    1989-12-01

    In this paper a unique application of FTIR-microscopy to problem solving in archeometry - the identification of preservatives in egyptian mummy hair samples from the 21st dynasty (1080 - 946 B.C.) is described. The precious samples were gently pressed into the surface of pure KBr-disks and the local distribution of dammar, tragacanth and myrrha determined. It was furthermore shown that the IR-microscopic approach gives very reliable data due to its relative freedom of contaminations as compared to extraction procedures.

  18. FTIR Study of Comustion Species in Several Regions of a Candle Flame

    Science.gov (United States)

    White, Allen R.

    2013-06-01

    The complex chemical structure of the fuel in a candle flame, parafin, is broken down into smaller hydrocarbons in the dark region just above the candle wick during combustion. This creates fuel-rich, fuel-lean, hydrocarbon reaction, and combustion product regions in the flame during combustion that are spectroscopically rich, particularly in the infrared. IR emissions were measured for each reaction region via collection optics focused into an FTIR and used to identify IR active species present in that region and, when possible, temperature of the sampling region. The results of the measurements are useful for combustion reaction modeling as well as for future validation of mass spectroscopy sampling systems.

  19. Time-resolved FTIR emission studies of laser photofragmentation and radical reactions

    Energy Technology Data Exchange (ETDEWEB)

    Leone, S.R. [Univ. of Colorado, Boulder (United States)

    1993-12-01

    Recent studies have focused specifically on collision processes, such as single collision energy transfer, reaction dynamics, and radical reactions. The authors employ novel FTIR techniques in the study of single collision energy transfer processes using translationally fast H atom, as well as radical-radical reactions, e.g. CH{sub 3} + O, CF{sub 3} + H(D), and Cl + C{sub 2}H{sub 5}. The fast atoms permit unique high energy regions of certain transition states of combustion species to be probed for the first time.

  20. [Quantification of Wood Flour and Polypropylene in Chinese Fir/Polypropylene Composites by FTIR].

    Science.gov (United States)

    Lao, Wan-li; Li, Gai-yun; Zhou, Qun; Qin, Te-fu

    2015-06-01

    The ratio of wood and plastic in Wood Plastic Composites (WPCss) influences quality and price, but traditional thermochemical methods cannot rapidly and accurately quantify the ratio of wood/PP in WPCss. This paper was addressed to investigate the feasibility of quantifying the wood flour content and plastic content in WPCss by Fourier Transform Infrared (FTIR) spectroscopy. With Chinese fir, polypropylene (PP) and other additives as raw materials, 13 WPCs samples with different wood flour contents, ranging from 9.8% to 61.5%, were prepared by modifying wood flour, mixing materials and extrusion pelletizing. The samples were analyzed by FTIR with the KBr pellets technique. The absorption peaks of WPCss at 1059, 1 033 and 1 740 cm(-1) are considered as characteristic of Chinese fir, and the absorption peaks at 1 377, 2 839 and 841 cm(-1) are typical of PP by comparing the spectra of WPCss with that of Chinese fir, PP and other additives. The relationship between the wood flour content, PP content in WPCss and their characteristic IR peaks height ratio was established. The results show that there is a strong linear correlation between the wood flour content in WPCss and I1 059/l 1 377/I1 033, /I1377, R2 are 0.992 and 0.993 respectively; there is a high linear correlation between the PP content in WPCss and I1 377/I1 740, I2 839 /I1 740 R2 are 0.985 and 0.981, respectively. Quantitative methods of the wood flour content and PP content in WPCss by FTIR were developed, the predictive equations of the wood flour content in WPCss are y = 53.297x-9. 107 and y = 55.922x-10.238, the predictive equations of the PP content in WPCss are y = 6.828 5x+5.403 6 and y = 8.719 7x+3.295 8. The results of the accuracy test and precision test show that the method has strong repeatability and high accuracy. The average prediction relative deviations of the wood flour content and PP content in WPCss are about 5%. The prediction accuracy has been improved remarkably, compared to

  1. A Controlled-Environment Chamber for Atmospheric Chemistry Studies Using FT-IR Spectroscopy

    Science.gov (United States)

    1990-06-01

    necessary and identify by block number) FELD GROUP SUB-GROUP i >Chamber, controlled environment; long-path cell ; 07 04 FT-IR; Hydrazine decay...modification doubles the useable path length of the original multipass cell described by White (Reference 8). The pattern of images formed on the nesting...system is shown in Figure 13. 24 z C C02, Ibm, El4 944 C3 ta) caC E-4- 252 14 $4 41) 41) 0. 0 04 04 4 41) ~0 to 0.0 V-4 (A q14 0~ 1% 4-r4 $4 0 u P416 4 4

  2. Evaluation of FTIR-based analytical methods for the analysis of simulated wastes

    International Nuclear Information System (INIS)

    Rebagay, T.V.; Cash, R.J.; Dodd, D.A.; Lockrem, L.L.; Meacham, J.E.; Winkelman, W.D.

    1994-01-01

    Three FTIR-based analytical methods that have potential to characterize simulated waste tank materials have been evaluated. These include: (1) fiber optics, (2) modular transfer optic using light guides equipped with non-contact sampling peripherals, and (3) photoacoustic spectroscopy. Pertinent instrumentation and experimental procedures for each method are described. The results show that the near-infrared (NIR) region of the infrared spectrum is the region of choice for the measurement of moisture in waste simulants. Differentiation of the NIR spectrum, as a preprocessing steps, will improve the analytical result. Preliminary data indicate that prominent combination bands of water and the first overtone band of the ferrocyanide stretching vibration may be utilized to measure water and ferrocyanide species simultaneously. Both near-infrared and mid-infrared spectra must be collected, however, to measure ferrocyanide species unambiguously and accurately. For ease of sample handling and the potential for field or waste tank deployment, the FTIR-Fiber Optic method is preferred over the other two methods. Modular transfer optic using light guides and photoacoustic spectroscopy may be used as backup systems and for the validation of the fiber optic data

  3. Rapid identification of Chinese Sauce liquor from different fermentation positions with FT-IR spectroscopy

    Science.gov (United States)

    Li, Changwen; Wei, Jiping; Zhou, Qun; Sun, Suqin

    2008-07-01

    FT-IR and two-dimensional correlation spectroscopy (2D-IR) technology were applied to discriminate Chinese Sauce liquor from different fermentation positions (top, middle and bottom of fermentation cellar) for the first time. The liquors at top, middle and bottom of fermentation cellar, possessed the characteristic peaks at 1731 cm -1, 1733 cm -1 and 1602 cm -1, respectively. In the 2D correlation infrared spectra, the differences were amplified. A strong auto-peak at 1725 cm -1 showed in the 2D spectra of the Top Liquor, which indicated that the liquor might contain some ester compounds. Different from Top Liquor, three auto-peaks at 1695, 1590 and 1480 cm -1 were identified in 2D spectra of Middle Liquor, which were the characteristic absorption of acid, lactate. In 2D spectra of Bottom Liquor, two auto-peaks at 1570 and 1485 cm -1 indicated that lactate was the major component. As a result, FT-IR and 2D-IR correlation spectra technology provided a rapid and effective method for the quality analysis of the Sauce liquor.

  4. Characteristic Study of Shenmu Bituminous Coal Combustion with Online TG-MS-FTIR

    Science.gov (United States)

    Pan, Guanfu

    2018-01-01

    The combustion characteristics of Shenmu bituminous pulverized coal (SBC) were comprehensively investigated with a combined TG-MS-FTIR system by considering the effect of particle size, heating rate and total flowrate. The combustion products were accurately quantified by normalization and numerical analysis of MS results. The results indicate that the decrease of the particle size, heating rate and total flowrate result in lower ignition and burnout temperatures. The activation energy tends to be lower with smaller particle size, lower heating rate and total flowrate. The MS and FTIR results demonstrate that lower concentrations of different products, such as NO, NO2, HCN, CH4 and SO2 were produced with smaller particle size, slower heating rate and lower total flowrate. The decrease of particle size would lead to more contact area with oxygen and slower heating rate could provide more sufficient time for the diffusion. High total flowrate would reduce the oxygen adsorbability on the coal particle surface and shorten the residence time of oxygen, which makes the ignition difficult to occur. This work will guide to understand the combustion kinetics of pulverized coals and be beneficial to control the formation of pollutants.

  5. Application of Fourier Transform Infrared (FTIR) Spectroscopy for Rapid Detection of Fumonisin B2 in Raisins.

    Science.gov (United States)

    Heperkan, Dilek; Gökmen, Ece

    2016-07-01

    The aim of this study was to investigate the potential use of FTIR spectroscopy as a rapid screening method to detect fumonisin produced by Aspergillus niger. A. niger spore suspensions isolated from raisins were inoculated in Petri dishes prepared with sultana raisin or black raisin extracts containing agar and malt extract agar (MEA). After 9 days of incubation at 25°C, fumonisin B2 (FB2) production on each agar plate was determined by subjecting the agar plugs to IR spectroscopy. The presence of amino group (at 1636-1639 cm(-1)) was especially indicative of fumonisin production in MEA and the raisin extracts containing agar. The results were confirmed by HPLC analysis of the agar sample extracts after immunoaffinity column cleanup. It was determined that A. niger produced more FB2 in sultana raisins than in MEA, with no FB2 being produced in black raisin extract agar. This study demonstrated that proper sample preparation procedure followed by FTIR analysis is a useful technique for identifying toxigenic molds and their mycotoxin production in agricultural commodities.

  6. Biochemical changes in cutaneous squamous cell carcinoma submitted to PDT using ATR-FTIR spectroscopy

    Science.gov (United States)

    Lima, Cassio A.; Goulart, Viviane P.; de Castro, Pedro A. A.; Correa, Luciana; Benetti, Carolina; Zezell, Denise M.

    2015-06-01

    Nonmelanoma skin cancers are the most common form of malignancy in humans. Between the traditional treatment ways, the photodynamic therapy (PDT) is a promising alternative which is minimally invasive and do not requires surgical intervention or exposure to ionizing radiation. The understanding of the cascade of effects playing role in PDT is not fully understood, so that define and understand the biochemical events caused by photodynamic effect will hopefully result in designing better PDT protocols. In this study we investigated the potential of the FTIR spectroscopy to assess the biochemical changes caused by photodynamic therapy after 10 and 20 days of treatment using 5-aminolevulinic acid (ALA) as precursor of the photosensitizer photoporphyrin IX (PpIX). The amplitude values of second derivative from vibrational modes obtained with FTIR spectroscopy showed similar behavior with the morphological features observed in histopathological analysis, which showed active lesions even 20 days after PDT. Thus, the technique has the potential to be used to complement the investigation of the main biochemical changes that photodynamic therapy promotes in tissue.

  7. 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.

  8. Diagnostic prediction of renal failure from blood serum analysis by FTIR spectrometry and chemometrics

    Science.gov (United States)

    Khanmohammadi, Mohammdreza; Ghasemi, Keyvan; Garmarudi, Amir Bagheri; Ramin, Mehdi

    2015-02-01

    A new diagnostic approach based on Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR) spectrometry and classification algorithm has been introduced which provides a rapid, reliable, and easy way to perform blood test for the diagnosis of renal failure. Blood serum samples from 35 renal failure patients and 40 healthy persons were analyzed by ATR-FTIR spectrometry. The resulting data was processed by Quadratic Discriminant Analysis (QDA) and QDA combined with simple filtered method. Spectroscopic studies were performed in 900-2000 cm-1 spectral region with 3.85 cm-1 data space. Results showed 93.33% and 100% of accuracy for QDA and filter-QDA models, respectively. In the first step, 30 samples were applied to construct the model. In order to modify the capability of QDA in prediction of test samples, filter-based feature selection methods were applied. It was found that the filtered spectra coupled with QDA could correctly predict the test samples in most of the cases.

  9. In-column ATR-FTIR spectroscopy to monitor affinity chromatography purification of monoclonal antibodies

    Science.gov (United States)

    Boulet-Audet, Maxime; Kazarian, Sergei G.; Byrne, Bernadette

    2016-01-01

    In recent years many monoclonal antibodies (mAb) have entered the biotherapeutics market, offering new treatments for chronic and life-threatening diseases. Protein A resin captures monoclonal antibody (mAb) effectively, but the binding capacity decays over repeated purification cycles. On an industrial scale, replacing fouled Protein A affinity chromatography resin accounts for a large proportion of the raw material cost. Cleaning-in-place (CIP) procedures were developed to extend Protein A resin lifespan, but chromatograms cannot reliably quantify any remaining contaminants over repeated cycles. To study resin fouling in situ, we coupled affinity chromatography and Fourier transform infrared (FTIR) spectroscopy for the first time, by embedding an attenuated total reflection (ATR) sensor inside a micro-scale column while measuring the UV 280 nm and conductivity. Our approach quantified the in-column protein concentration in the resin bed and determined protein conformation. Our results show that Protein A ligand leached during CIP. We also found that host cell proteins bound to the Protein A resin even more strongly than mAbs and that typical CIP conditions do not remove all fouling contaminants. The insights derived from in-column ATR-FTIR spectroscopic monitoring could contribute to mAb purification quality assurance as well as guide the development of more effective CIP conditions to optimise resin lifespan. PMID:27470880

  10. Characterization of Printing Inks Using DART-Q-TOF-MS and Attenuated Total Reflectance (ATR) FTIR.

    Science.gov (United States)

    Williamson, Rhett; Raeva, Anna; Almirall, Jose R

    2016-05-01

    The rise in improved and widely accessible printing technology has resulted in an interest to develop rapid and minimally destructive chemical analytical techniques that can characterize printing inks for forensic document analysis. Chemical characterization of printing inks allows for both discrimination of inks originating from different sources and the association of inks originating from the same source. Direct analysis in real-time mass spectrometry (DART-MS) and attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) were used in tandem to analyze four different classes of printing inks: inkjets, toners, offset, and intaglio. A total of 319 samples or ~ 80 samples from each class were analyzed directly on a paper substrate using the two methods. DART-MS was found to characterize the semi-volatile polymeric vehicle components, while ATR-FTIR provided chemical information associated with the bulk components of these inks. Complimentary data results in improved discrimination when both techniques are used in succession resulting in >96% discrimination for all toners, 95% for all inkjets, >92% for all offset, and >54% for all intaglio inks. © 2016 American Academy of Forensic Sciences.

  11. Prion structure investigated in situ, ex vivo, and in vitro by FTIR spectroscopy

    Science.gov (United States)

    Kneipp, Janina; Miller, Lisa M.; Spassov, Sashko; Sokolowski, Fabian; Lasch, Peter; Beekes, Michael; Naumann, Dieter

    2004-07-01

    Syrian hamster nervous tissue was investigated by FTIR microspectroscopy with conventional and synchrotron infrared light sources. Various tissue structures from the cerebellum and medulla oblongata of scrapie-infected and control hamsters were investigated at a spatial resolution of 50 μm. Single neurons in dorsal root ganglia of scrapie-infected hamsters were analyzed by raster scan mapping at 6 μm spatial resolution. These measurements enabled us to (i) scrutinize structural differences between infected and non-infected tissue and (ii) analyze for the first time the distribution of different protein structures in situ within single nerve cells. Single nerve cells exhibited areas of increased β-sheet content, which co-localized consistently with accumulations of the pathological prion protein (PrPSc). Spectral data were also obtained from purified, partly proteinase K digested PrPSc isolated from scrapie-infected nervous tissue of hamsters to elucidate similarities/dissimilarities between prion structure in situ and ex vivo. A further comparison is drawn to the recombinant Syrian hamster prion protein SHaPrP90-232, whose in vitro transition from the predominantly a-helical isoform to β-sheet rich oligomeric structures was also investigated by FTIR spectroscopy.

  12. Thermal deterioration of virgin olive oil monitored by ATR-FTIR analysis of trans content.

    Science.gov (United States)

    Tena, Noelia; Aparicio, Ramón; García-González, Diego L

    2009-11-11

    The monitoring of frying oils by an effective and rapid method is one of the demands of food companies and small food retailers. In this work, a method based on ATR-FTIR has been developed for monitoring the oil degradation in frying procedures. The IR bands changing during frying in sunflower, soybean, and virgin olive oils have been examined in their linear relationship with the content of total polar compounds, which is a preferred parameter for frying control. The bands assigned to conjugated and isolated trans double bonds that are commonly used for the determination of trans content provided the best relationships. Then, the area covering 978-960 cm(-1) was chosen to build a model for predicting polar material content for the particular case of virgin olive oil. A virgin olive oil was heated up to 94 h, and samples collected every 2 h constituted the training set. These samples were analyzed to obtain their FTIR spectra and to determine the composition of fatty acids and the content of total polar compounds. The excellent results predicting the polar material content (adjusted R(2) 0.997) was successfully validated with an external set of samples. The analysis of the fatty acid composition confirmed the relationship between the trans content and the content of total polar compounds.

  13. FTIR Spectroscopy on Basic Materials in THz Region for Compact FEL-Based Imaging

    CERN Document Server

    Cha, H J; Lee, B C; Park, S H

    2005-01-01

    We are making experiments on THz(terahertz) imaging using a compact high power FEL (free-electron laser) which is operating as a users facility at KAERI. The wavelength range of output pulses is 100~1200 μm, which corresponds to 0.3~3 THz in the frequency region. We should select the optimum wavelength for the constituents of specimens to realize the imaging based on the THz FEL. A FTIR (Fourier-transform infrared) spectrometer was modified to measure the optical constants of the specimens in THz region. A polyester film of which thickness is 3.7 μm was used as a beam splitter of the spectrometer. In the case of normal incidence, the transmittance of the film was measured to be more than 90%, and the estimated loss by absorption was approximately 2% at the FEL frequency of 3 THz. Several tens of nanometer-thick-silver was coated on the polyester film to balance both transmission and reflection of THz waves in the beam splitter. We investigated FTIR spectroscopy on air, vapor and liquid water...

  14. FTIR, XRD and DSC studies of nanochitosan, cellulose acetate and polyethylene glycol blend ultrafiltration membranes.

    Science.gov (United States)

    Vinodhini, P Angelin; K, Sangeetha; Thandapani, Gomathi; P N, Sudha; Jayachandran, Venkatesan; Sukumaran, Anil

    2017-11-01

    In the present work, a series of novel nanochitosan/cellulose acetate/polyethylene glycol (NCS/CA/PEG) blend flat sheet membranes were fabricated in different ratios (1:1:1, 1:1:2, 2:1:1, 2:1:2, 1:2:1, 2:2:1) in a polar solvent of N,N'-dimethylformamide (DMF) using the most popular phase inversion method. Nanochitosan was prepared by the ionotropic gelation method and its average particle size has been analyzed using Dynamic Light Scattering (DLS) method. The effect of blending of the three polymers was investigated using FTIR and XRD studies. FTIR results confirmed the formation of well-blended membranes and the XRD analysis revealed enhanced amorphous nature of the membrane ratio 2:1:2. DSC study was conducted to find out the thermal behavior of the blend membranes and the results clearly indicated good thermal stability and single glass transition temperature (T g ) of all the prepared membranes. Asymmetric nature and rough surface morphology was confirmed using SEM analysis. From the results it was evident that the blending of the polymers with higher concentration of nanochitosan can alter the nature of the resulting membranes to a greater extent and thus amorphous membranes were obtained with good miscibility and compatibility. Copyright © 2017 Elsevier B.V. All rights reserved.

  15. Validation of enhanced stabilization of municipal solid waste under controlled leachate recirculation using FTIR and XRD.

    Science.gov (United States)

    Sethi, Sapna; Kothiyal, N C; Nema, Arvind K

    2012-07-01

    Leachate recirculation at neutral PH accompanied with buffer/nutrients addition has been used successfully in earlier stabilization of municipal solid waste in bioreactor landfills. In the present study, efforts were made to enhance the stabilization rate of municipal solid waste (MSW) and organic solid waste (OSW) in simulated landfill bioreactors by controlling the pH of recirculated leachate towards slightly alkaline side in absence of additional buffer and nutrients addition. Enhanced stabilization in waste samples was monitored with the help of analytical tools like Fourier Transform Infrared Spectroscopy (FTIR) and X-Ray Diffraction (XRD). Predominance of bands assigned to inorganic compounds and comparatively lower intensities of bands for organic compounds in the FTIR spectra of waste samples degraded with leachate recirculation under controlled pH confirmed higher rate of biodegradation and mineralization of waste than the samples degraded without controlled leachate recirculation. XRD spectra also confirmed to a greater extent of mineralization in the waste samples degraded under leachate recirculation with controlled pH. Comparison of XRD spectra of two types of wastes pointed out higher degree of mineralization in organic solid waste as compared to municipal solid waste.

  16. Chemical fingerprinting of Arabidopsis using Fourier transform infrared (FT-IR) spectroscopic approaches.

    Science.gov (United States)

    Gorzsás, András; Sundberg, Björn

    2014-01-01

    Fourier transform infrared (FT-IR) spectroscopy is a fast, sensitive, inexpensive, and nondestructive technique for chemical profiling of plant materials. In this chapter we discuss the instrumental setup, the basic principles of analysis, and the possibilities for and limitations of obtaining qualitative and semiquantitative information by FT-IR spectroscopy. We provide detailed protocols for four fully customizable techniques: (1) Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS): a sensitive and high-throughput technique for powders; (2) attenuated total reflectance (ATR) spectroscopy: a technique that requires no sample preparation and can be used for solid samples as well as for cell cultures; (3) microspectroscopy using a single element (SE) detector: a technique used for analyzing sections at low spatial resolution; and (4) microspectroscopy using a focal plane array (FPA) detector: a technique for rapid chemical profiling of plant sections at cellular resolution. Sample preparation, measurement, and data analysis steps are listed for each of the techniques to help the user collect the best quality spectra and prepare them for subsequent multivariate analysis.

  17. XPS and FTIR spectroscopic study on microwave treated high phosphorus iron ore

    International Nuclear Information System (INIS)

    Omran, Mamdouh; Fabritius, Timo; Elmahdy, Ahmed M.; Abdel-Khalek, Nagui A.; El-Aref, Mortada; Elmanawi, Abd El-Hamid

    2015-01-01

    Highlights: • The effect of microwave radiation on structure and chemical state of high phosphorus iron ore was studied. • FTIR analyses showed that after microwave radiation the functional chemical groups of phosphorus bearing minerals (fluorapatite) dissociated. • High resolution XPS analyses of Fe 2p peaks showed that after microwave radiation a portion of Fe(+III) was reduced to Fe(+II). • Microwave radiation had a positive effect on the magnetic properties of iron oxide, through formation of ferromagnetic phases. - Abstract: A growing interest in microwave heating has emerged recently. Several potential microwave applications regarding minerals’ processing have been investigated. This paper investigates the effect of microwave radiation on Egyptian high phosphorus iron ore. Three different iron ore samples have varying Fe 2 O 3 and P 2 O 5 contents and mineralogical textures were studied. A comparative study has been carried out between untreated and microwave treated iron ore. XRD and FTIR analyses showed that after microwave radiation the crystallinity of iron bearing minerals (hematite) increased, while the functional chemical groups of phosphorus bearing minerals (fluorapatite) and other gangues dissociated. High resolution XPS analyses of Fe 2p peaks showed that after microwave radiation a portion of Fe(+III) was reduced to Fe(+II). This means that after microwave radiation iron oxide (hematite, Fe 3+ ) transformed into more magnetic phase. The results indicated that microwave radiation had a positive effect on the magnetic properties of iron oxide, through formation of ferromagnetic phases

  18. Characterization of adsorbed water in MIL-53(Al) by FTIR spectroscopy and ab-initio calculations.

    Science.gov (United States)

    Salazar, J M; Weber, G; Simon, J M; Bezverkhyy, I; Bellat, J P

    2015-03-28

    Here, we report ab-initio calculations developed with a twofold purpose: understand how adsorbed water molecules alter the infrared spectrum of the metal-organic framework MIL-53(Al) and to investigate which are the associated physico-chemical processes. The analyzed structures are the two anhydrous narrow (np⊘) and large (lp⊘) pore forms and the hydrated narrow pore form (np-H2O) of the MIL-53(Al). For these structures, we determined their corresponding infrared spectra (FTIR) and we identified the vibrational modes associated to the dominant spectral lines. We show that wagging and scissoring modes of CO2 give flexibility to the structure for facilitating the lp⊘- np⊘ transition. In our studies, this transition is identified by eight vibrational modes including the δCH(18a) vibrational mode currently used to identify the mentioned transition. We report an exhaustive band identification of the infrared spectra associated to the analyzed structures. Moreover, the FTIR for the np-H2O structure allowed us to identify four types of water molecules linked to the host structure by one to three hydrogen bonds.

  19. Measurement of tracer gas distributions using an open-path FTIR system coupled with computed tomography

    Science.gov (United States)

    Drescher, Anushka C.; Yost, Michael G.; Park, Doo Y.; Levine, Steven P.; Gadgil, Ashok J.; Fischer, Marc L.; Nazaroff, William W.

    1995-05-01

    Optical remote sensing and iterative computed tomography (CT) can be combined to measure the spatial distribution of gaseous pollutant concentrations in a plane. We have conducted chamber experiments to test this combination of techniques using an Open Path Fourier Transform Infrared Spectrometer (OP-FTIR) and a standard algebraic reconstruction technique (ART). ART was found to converge to solutions that showed excellent agreement with the ray integral concentrations measured by the FTIR but were inconsistent with simultaneously gathered point sample concentration measurements. A new CT method was developed based on (a) the superposition of bivariate Gaussians to model the concentration distribution and (b) a simulated annealing minimization routine to find the parameters of the Gaussians that resulted in the best fit to the ray integral concentration data. This new method, named smooth basis function minimization (SBFM) generated reconstructions that agreed well, both qualitatively and quantitatively, with the concentration profiles generated from point sampling. We present one set of illustrative experimental data to compare the performance of ART and SBFM.

  20. An improved approach to identify irradiated spices using electronic nose, FTIR, and EPR spectroscopy.

    Science.gov (United States)

    Sanyal, Bhaskar; Ahn, Jae-Jun; Maeng, Jeong-Hwan; Kyung, Hyun-Kyu; Lim, Ha-Kyeong; Sharma, Arun; Kwon, Joong-Ho

    2014-09-01

    Changes in cumin and chili powder from India resulting from electron-beam irradiation were investigated using 3 analytical methods: electronic nose (E-nose), Fourier transform infrared (FTIR) spectroscopy, and electron paramagnetic resonance (EPR) spectroscopy. The spices had been exposed to 6 to 14 kGy doses recommended for microbial decontamination. E-nose measured a clear difference in flavor patterns of the irradiated spices in comparison with the nonirradiated samples. Principal component analysis further showed a dose-dependent variation. FTIR spectra of the samples showed strong absorption bands at 3425, 3007 to 2854, and 1746 cm(-1). However, both nonirradiated and irradiated spice samples had comparable patterns without any noteworthy changes in functional groups. EPR spectroscopy of the irradiated samples showed a radiation-specific triplet signal at g = 2.006 with a hyper-fine coupling constant of 3 mT confirming the results obtained with the E-nose technique. Thus, E-nose was found to be a potential tool to identify irradiated spices. © 2014 Institute of Food Technologists®

  1. Rapid and Simultaneous Prediction of Eight Diesel Quality Parameters through ATR-FTIR Analysis

    Science.gov (United States)

    Hatanaka, Rafael Rodrigues; Flumignan, Danilo Luiz; de Oliveira, José Eduardo

    2018-01-01

    Quality assessment of diesel fuel is highly necessary for society, but the costs and time spent are very high while using standard methods. Therefore, this study aimed to develop an analytical method capable of simultaneously determining eight diesel quality parameters (density; flash point; total sulfur content; distillation temperatures at 10% (T10), 50% (T50), and 85% (T85) recovery; cetane index; and biodiesel content) through attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy and the multivariate regression method, partial least square (PLS). For this purpose, the quality parameters of 409 samples were determined using standard methods, and their spectra were acquired in ranges of 4000–650 cm−1. The use of the multivariate filters, generalized least squares weighting (GLSW) and orthogonal signal correction (OSC), was evaluated to improve the signal-to-noise ratio of the models. Likewise, four variable selection approaches were tested: manual exclusion, forward interval PLS (FiPLS), backward interval PLS (BiPLS), and genetic algorithm (GA). The multivariate filters and variables selection algorithms generated more fitted and accurate PLS models. According to the validation, the FTIR/PLS models presented accuracy comparable to the reference methods and, therefore, the proposed method can be applied in the diesel routine monitoring to significantly reduce costs and analysis time. PMID:29629209

  2. Rapid and Simultaneous Prediction of Eight Diesel Quality Parameters through ATR-FTIR Analysis

    Directory of Open Access Journals (Sweden)

    Maurilio Gustavo Nespeca

    2018-01-01

    Full Text Available Quality assessment of diesel fuel is highly necessary for society, but the costs and time spent are very high while using standard methods. Therefore, this study aimed to develop an analytical method capable of simultaneously determining eight diesel quality parameters (density; flash point; total sulfur content; distillation temperatures at 10% (T10, 50% (T50, and 85% (T85 recovery; cetane index; and biodiesel content through attenuated total reflection Fourier transform infrared (ATR-FTIR spectroscopy and the multivariate regression method, partial least square (PLS. For this purpose, the quality parameters of 409 samples were determined using standard methods, and their spectra were acquired in ranges of 4000–650 cm−1. The use of the multivariate filters, generalized least squares weighting (GLSW and orthogonal signal correction (OSC, was evaluated to improve the signal-to-noise ratio of the models. Likewise, four variable selection approaches were tested: manual exclusion, forward interval PLS (FiPLS, backward interval PLS (BiPLS, and genetic algorithm (GA. The multivariate filters and variables selection algorithms generated more fitted and accurate PLS models. According to the validation, the FTIR/PLS models presented accuracy comparable to the reference methods and, therefore, the proposed method can be applied in the diesel routine monitoring to significantly reduce costs and analysis time.

  3. Rapid and Simultaneous Prediction of Eight Diesel Quality Parameters through ATR-FTIR Analysis.

    Science.gov (United States)

    Nespeca, Maurilio Gustavo; Hatanaka, Rafael Rodrigues; Flumignan, Danilo Luiz; de Oliveira, José Eduardo

    2018-01-01

    Quality assessment of diesel fuel is highly necessary for society, but the costs and time spent are very high while using standard methods. Therefore, this study aimed to develop an analytical method capable of simultaneously determining eight diesel quality parameters (density; flash point; total sulfur content; distillation temperatures at 10% (T10), 50% (T50), and 85% (T85) recovery; cetane index; and biodiesel content) through attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy and the multivariate regression method, partial least square (PLS). For this purpose, the quality parameters of 409 samples were determined using standard methods, and their spectra were acquired in ranges of 4000-650 cm -1 . The use of the multivariate filters, generalized least squares weighting (GLSW) and orthogonal signal correction (OSC), was evaluated to improve the signal-to-noise ratio of the models. Likewise, four variable selection approaches were tested: manual exclusion, forward interval PLS (FiPLS), backward interval PLS (BiPLS), and genetic algorithm (GA). The multivariate filters and variables selection algorithms generated more fitted and accurate PLS models. According to the validation, the FTIR/PLS models presented accuracy comparable to the reference methods and, therefore, the proposed method can be applied in the diesel routine monitoring to significantly reduce costs and analysis time.

  4. Identification of Lactic Acid Bacteria and Propionic Acid Bacteria using FTIR Spectroscopy and Artificial Neural Networks

    Directory of Open Access Journals (Sweden)

    Beata Nalepa

    2012-01-01

    Full Text Available In the present study, lactic acid bacteria and propionic acid bacteria have been identified at the genus level with the use of artificial neural networks (ANNs and Fourier transform infrared spectroscopy (FTIR. Bacterial strains of the genera Lactobacillus, Lactococcus, Leuconostoc, Streptococcus and Propionibacterium were analyzed since they deliver health benefits and are routinely used in the food processing industry. The correctness of bacterial identification by ANNs and FTIR was evaluated at two stages. At first stage, ANNs were tested based on the spectra of 66 reference bacterial strains. At second stage, the evaluation involved 286 spectra of bacterial strains isolated from food products, deposited in our laboratory collection, and identified by genus-specific PCR. ANNs were developed based on the spectra and their first derivatives. The most satisfactory results were reported for the probabilistic neural network, which was built using a combination of W5W4W3 spectral ranges. This network correctly identified the genus of 95 % of the lactic acid bacteria and propionic acid bacteria strains analyzed.

  5. FT-IR and X-ray spectroscopic investigations of Na-diclofenac-cyclodextrins interactions

    Science.gov (United States)

    Bratu, I.; Astilean, S.; Ionesc, Corina; Indrea, E.; Huvenne, J. P.; Legrand, P.

    1998-01-01

    The association of DCF-Na (the salt of the 2-[(2,6-dichlorophenyl)amino]-phenyl-acetic acid) with β-CD (cyclodextrin) in some therapeutic formulas can contribute to the optimisation of the physico-chemical and pharmaceutical properties of the parent drug. The understanding of the interaction between DCF with β-CD represents the objective of this study. FT-IR spectroscopy is one of the methods which clarify the nature of these interactions in complexes of such type. Therefore the changes in FT-IR spectra of binary dispersed systems DCF/ β-CD in physical mixture and coprecipitate from methanol (molar ratios: 1/1, 1/2, 2/3, 3/4, 7/4) were analysed. The analysis of the broadening of the X-ray powder diffraction line has been applied to investigate the average effective crystallite size, the mean square of the microstrain caused by distortions within β-CD crystallite and the fault probability in the binary dispersed DCF/ β-CD coprecipitate system.

  6. Biosorption of malachite green onto Haematococcus pluvialis observed through synchrotron-FTIR microspectroscopy.

    Science.gov (United States)

    Liu, J H; Zhang, L; Zha, D C; Chen, L Q; Chen, X X; Qi, Z M

    2018-06-28

    Microalgae have emerged as promising biosorbents for the treatment of malachite green in wastewater. However, the underlying mechanism for the biosorption of malachite green onto microalgae is still unclear and needs further intensive study. In this work, synchrotron Fourier-transform infrared (synchrotron-FTIR) microspectroscoy in combination with biochemical assay is employed to evaluate malachite green removal efficiency (95.2%, 75.6% and 66.5%) by three stages of Haematococcus pluvialis. Meanwhile, the various vital changes of algal cells including lipids, proteins, polysaccharides and carotenoids, is distinguished and quantified in situ. This study illustrates that synchrotron-FTIR microspectroscopy is an effective and powerful tool to scrutinize the mechanism for the interactions between the malachite green dye and microalgal cells and it even provides an effective and none-invasive new approach to screen potentially proper biosorbents for the removal of dyes from wastewater. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

  7. Monitoring wine aging with Fourier transform infrared spectroscopy (FT-IR

    Directory of Open Access Journals (Sweden)

    Basalekou Marianthi

    2015-01-01

    Full Text Available Oak wood has commonly been used in wine aging but recently other wood types such as Acacia and Chestnut, have attracted the interest of the researchers due to their possible positive contribution to wine quality. However, only the use of oak and chestnut woods is approved by the International Enological Codex of the International Organisation of Vine and Wine. In this study Fourier Transform (FT-mid-infrared spectroscopy combined with Discriminant Analysis was used to differentiate wines aged in barrels made from French oak, American oak, Acacia and Chestnut and in tanks with oak chips, over a period of 12 months. Two red (Mandilaria, Kotsifali and two white (Vilana, Dafni native Greek grape varieties where used to produce four wines. The Fourier Transform Infrared (FT-IR spectra of the samples were recorded on a Zinc Selenide (ZnSe window after incubation at 40 °C for 30 min. A complete differentiation of the samples according to both the type of wood used and the contact time was achieved based on their FT-IR spectra.

  8. FTIR spectro-imaging of collagen scaffold formation during glioma tumor development.

    Science.gov (United States)

    Noreen, Razia; Chien, Chia-Chi; Chen, Hsiang-Hsin; Bobroff, Vladimir; Moenner, Michel; Javerzat, Sophie; Hwu, Yeukuang; Petibois, Cyril

    2013-11-01

    Evidence has recently emerged that solid and diffuse tumors produce a specific extracellular matrix (ECM) for division and diffusion, also developing a specific interface with microvasculature. This ECM is mainly composed of collagens and their scaffolding appears to drive tumor growth. Although collagens are not easily analyzable by UV-fluorescence means, FTIR imaging has appeared as a valuable tool to characterize collagen contents in tissues, specially the brain, where ECM is normally devoid of collagen proteins. Here, we used FTIR imaging to characterize collagen content changes in growing glioma tumors. We could determine that C6-derived solid tumors presented high content of triple helix after 8-11 days of growth (typical of collagen fibrils formation; 8/8 tumor samples; 91 % of total variance), and further turned to larger α-helix (days 12-15; 9/10 of tumors; 94 % of variance) and β-turns (day 18-21; 7/8 tumors; 97 % of variance) contents, which suggest the incorporation of non-fibrillar collagen types in ECM, a sign of more and more organized collagen scaffold along tumor progression. The growth of tumors was also associated to the level of collagen produced (P < 0.05). This study thus confirms that collagen scaffolding is a major event accompanying the angiogenic shift and faster tumor growth in solid glioma phenotypes.

  9. In-column ATR-FTIR spectroscopy to monitor affinity chromatography purification of monoclonal antibodies

    Science.gov (United States)

    Boulet-Audet, Maxime; Kazarian, Sergei G.; Byrne, Bernadette

    2016-07-01

    In recent years many monoclonal antibodies (mAb) have entered the biotherapeutics market, offering new treatments for chronic and life-threatening diseases. Protein A resin captures monoclonal antibody (mAb) effectively, but the binding capacity decays over repeated purification cycles. On an industrial scale, replacing fouled Protein A affinity chromatography resin accounts for a large proportion of the raw material cost. Cleaning-in-place (CIP) procedures were developed to extend Protein A resin lifespan, but chromatograms cannot reliably quantify any remaining contaminants over repeated cycles. To study resin fouling in situ, we coupled affinity chromatography and Fourier transform infrared (FTIR) spectroscopy for the first time, by embedding an attenuated total reflection (ATR) sensor inside a micro-scale column while measuring the UV 280 nm and conductivity. Our approach quantified the in-column protein concentration in the resin bed and determined protein conformation. Our results show that Protein A ligand leached during CIP. We also found that host cell proteins bound to the Protein A resin even more strongly than mAbs and that typical CIP conditions do not remove all fouling contaminants. The insights derived from in-column ATR-FTIR spectroscopic monitoring could contribute to mAb purification quality assurance as well as guide the development of more effective CIP conditions to optimise resin lifespan.

  10. FT-IR emissivity measurements of Nb melt using an electrostatic levitation furnace

    International Nuclear Information System (INIS)

    Sakata, K.; Watanabe, Y.; Okada, J.T.; Kumar, M.V.; Paradis, P.-F.; Ishikawa, T.

    2015-01-01

    Highlights: • Since molten Nb has a high melting point, its thermal properties were measured using FT-IR combined with an electrostatic levitator. • The measured ε_T of molten Nb at the melting temperature in this study was 0.29, and the C_p was calculated as 41.9 J ⋅ mol"−"1 ⋅ K"−"1. - Abstract: Total hemispherical emissivity (ε_T) and constant pressure heat capacity (C_p) of molten Nb, which has a high melting point, was measured using FT-IR combined with an electrostatic levitator. In order to heat the sample to temperatures higher than 2000 °C and avoid chemical reactions between the sample and a crucible, a containerless method was needed. By applying these methods, the measured ε_T of molten Nb at the melting temperature was 0.29, and the C_p was calculated as 41.9 J ⋅ mol"−"1 ⋅ K"−"1. Both data showed good agreement with the literature values. In addition, the result was compared with the Drude model and the difference of emissivity between Zr and Nb was discussed.

  11. Influence of the Zeolite ZSM-5 on Catalytic Pyrolysis of Biomass via TG-FTIR

    Directory of Open Access Journals (Sweden)

    Ze Wang

    2015-06-01

    Full Text Available Bio-oil from the pyrolysis of biomass is an important renewable source for liquid fuel. However, the application of bio-oil has been severely restricted due to its high viscosity, acidity, and low heating value. Thus, it has been necessary to upgrade bio-oil for automobile fuel via catalytic deoxygenation reactions. Herein, the effects of the zeolite ZSM-5 on the pyrolysis of four biomass materials (corn cob, corn straw, pine powder, and cellulose were investigated via TG-FTIR (thermogravimetric analyzer coupled with a Fourier transform infrared spectrometer to better understand the working mechanism of ZSM-5. The contents of the products of H2O, CO, CO2, and the C-O, C=O, and OH groups evolved with increasing pyrolytic temperature were monitored by FTIR. It was found that the relative contents of the C-O and C=O groups were decreased under the catalysis of ZSM-5, while the formations of CO, H2O, and the OH containing compounds were promoted. To explain the regulations, reaction routes were speculated and the catalytic conversion mechanisms were deduced.

  12. Micro-FTIR and EPMA Characterisation of Charoite from Murun Massif (Russia

    Directory of Open Access Journals (Sweden)

    Maria Lacalamita

    2018-01-01

    Full Text Available Combined micro-Fourier transform infrared (micro-FTIR and electron probe microanalyses (EPMA were performed on a single crystal of charoite from Murun Massif (Russia in order to get a deeper insight into the vibrational features of crystals with complex structure and chemistry. The micro-FTIR study of a single crystal of charoite was collected in the 6000–400 cm−1 at room temperature and after heating at 100°C. The structural complexity of this mineral is reflected by its infrared spectrum. The analysis revealed a prominent absorption in the OH stretching region as a consequence of band overlapping due to a combination of H2O and OH stretching vibrations. Several overtones of the O-H and Si-O stretching vibration bands were observed at about 4440 and 4080 cm−1 such as absorption possibly due to the organic matter at about 3000–2800 cm−1. No significant change due to the loss of adsorbed water was observed in the spectrum obtained after heating. The occurrence of well-resolved water bending vibration bands at about 1595 and 1667 cm−1 accounts for more than one structural water molecule as expected by charoite-90 polytype structure model from literature. The chemical composition of the studied crystal is close to the literature one.

  13. Application of FTIR spectroscopy for analysis of the quality of honey

    Directory of Open Access Journals (Sweden)

    Kędzierska-Matysek Monika

    2018-01-01

    Full Text Available Every kind of honey is a very precious natural product which is made by Mellifera bees species. The chemical composition of honey depends on its origin or mode of production. Honey consists essentially of different sugars, predominantly fructose and glucose. There are also non – sugar ingredients like proteins and amino acids, as well as some kind of enzymes, such as: invertase, amylase, glucose oxidase, catalase and phosphatase. The fact that honey is one of the oldest medicine known worldwide is remarkable. Scientists all over the world have been trying to improve analytical methods as well as to implement new ones in order to reaffirm the high quality of honey the benefits of which may be distracted or disturbed. There are many methods and popular analytical techniques, including as follows: mass spectroscopy and molecular spectroscopy (especially FTIR spectroscopy. The infrared spectroscopy technique is one of the most common analytical methods which are used to analyse honey nowadays. The main aim of the task was to use ATR-FTIR infrared spectroscopy to compare selected honey samples as well as typical sequences coming out from certain functional groups in the analysed samples.

  14. Study of Kerogen Maturity using Transmission Fourier Transform Infrared Spectroscopy (FTIR)

    Science.gov (United States)

    Dang, S. T.

    2014-12-01

    Maturity of kerogen in shale governs the productivity and generation hydrocarbon type. There are generally two accepted methods to measure kerogen maturity; one is the measurement of vitrinite reflectance, %Ro, and another is the measurement of Tmax through pyrolysis. However, each of these techniques has its own limits; vitrinite reflectance measurement cannot be applied to marine shale and pre-Silurian shales, which lack plant materials. Furthermore, %Ro, requires the isolation and identification of vitrinite macerals and statistical measurements of at least 50 macerals. Tmax measurement is questionable for mature and post-mature samples. In addition, there are questions involving the effects of solvents on Tmax determinations. Fourier Transmission Infrared Spectroscopy, FTIR, can be applied for both qualitative and quantitative assessment on organics maturity in shale. The technique does not require separating organic matter or identifying macerals. A CH2/CH3 index, RCH, calculated from FTIR spectra is more objective than other measurements. The index increases with maturity (both natural maturation and synthetic maturation through hydrous and dry pyrolysis). The new maturity index RCH can be calibrated to vitrinite reflectance which allows the definition of the following values for levels of maturity: 1) immature—RCH > 1.6±0.2; 2) oil window-- 1.6±0.2 1.3±0.3; 3) wet gas window--1.3±0.3 1.13±0.05; and 4) dry gas window RCH < 1.13±0.05.

  15. Raman and FTIR spectroscopic studies on two hydroxylated tung oils (HTO) bearing conjugated double bonds

    Science.gov (United States)

    Zhuang, Yuwei; Ren, Zhiyong; Jiang, Lei; Zhang, Jiaxiang; Wang, Huafen; Zhang, Guobao

    2018-06-01

    Tung oil (TO) was used as a model compound to study two hydroxylated tung oils (HTO), prepared from TO by either aminolysis (HTO-am) or alcoholysis (HTO-al). Main bands in Raman and FTIR spectra were initially assigned based on the detailed analysis of the compound spectra before and after exposure to elevated temperature (200 °C). The effect of heat treatment in air on spectral bands, and especially on the changes associated with double bonds, were then investigated. In the present work, changes in spectral bands due to heat treatment were compared with those revealed in the previous work of others. The results show that the conjugated triene structure of TO has been retained during alcoholysis and aminolysis, to yield the HTOs studied; yet the change of the triene structure caused by heating is different among the three samples; the H-bonding strength between OH and Cdbnd O in HTO-am is higher than that in HTO-al; the changes in HTO vOH and vCdbnd O bands in FTIR caused by the present heat treatment were significant; for TO, there is a big difference between changes in spectra as caused by thermal exposure, compared to those caused by ageing under UV light or exposure to a catalyst. The present work has laid additional groundwork for further study of the reactions of such triply conjugated double bond structures under different ageing conditions.

  16. FT-IR, FT-Raman spectra and DFT calculations of melaminium perchlorate monohydrate

    Science.gov (United States)

    Kanagathara, N.; Marchewka, M. K.; Drozd, M.; Renganathan, N. G.; Gunasekaran, S.; Anbalagan, G.

    2013-08-01

    Melaminium perchlorate monohydrate (MPM), an organic material has been synthesized by slow solvent evaporation method at room temperature. Powder X-ray diffraction analysis confirms that MPM crystal belongs to triclinic system with space group P-1. FTIR and FT Raman spectra are recorded at room temperature. Functional group assignment has been made for the melaminium cations and perchlorate anions. Vibrational spectra have also been discussed on the basis of quantum chemical density functional theory (DFT) calculations using Firefly (PC GAMESS) version 7.1 G. Vibrational frequencies are calculated and scaled values are compared with experimental values. The assignment of the bands has been made on the basis of the calculated PED. The Mulliken charges, HOMO-LUMO orbital energies are analyzed directly from Firefly program log files and graphically illustrated. HOMO-LUMO energy gap and other related molecular properties are also calculated. The theoretically constructed FT-IR and FT-Raman spectra of MPM coincide with the experimental one. The chemical structure of the compound has been established by 1H and 13C NMR spectra. No detectable signal was observed during powder test for second harmonic generation.

  17. FT-IR, FT-Raman and UV-visible spectra of potassium 3-furoyltrifluoroborate salt

    Science.gov (United States)

    Iramain, Maximiliano A.; Davies, Lilian; Brandán, Silvia Antonia

    2018-04-01

    The potassium 3-furoyltrifluoroborate salt has been experimentally characterized by means of FT-IR, FT-Raman and UV-Visible spectroscopies. Here, the predicted FT-IR, FT-Raman and UV-visible spectra by using theoretical B3LYP/6-31G* and 6-311++G** calculations show very good correlations with the corresponding experimental ones. The solvation energies were predicted by using both levels of calculations. The NBO analyses reveal the high stability of the salt by using the B3LYP/6-31G* level of theory while the AIM studies evidence the ionic characteristics of the salt in both media. The strong blue colour observed on the K atom by using the molecular electrostatic potential mapped suggests that this region act as typical electrophilic site. The gap values have revealed that the salt in gas phase is more reactive than in solution, as was reported in the literature while, the F13⋯H6 interaction together with the Ksbnd O bond observed by the studies of their charges could probably modulate the reactivities of this salt in aqueous solution. The force fields were computed with the SQMFF methodology and the Molvib program to perform the complete vibrational analysis. Then, the 39 vibration normal modes classified as 26 A'+ 13 A″ were completely assigned and their force constants are also reported.

  18. Development of a method for determination of fatty acid using FT-IR spectroscopy

    Directory of Open Access Journals (Sweden)

    Dimas Augusto Morozin Zaia

    2011-05-01

    Full Text Available In the present paper a new methodology has been developed for determination of fatty acids in biological systems using FT-IR spectroscopy. For this method is not necessary chromophore reagent or pre sample preparation. Palmitic acid was chosen as standard, because it is found in several biological systems. The FT-IR spectrum of palmitic acid showed two absorption bands in the region of 2852 and 2920 cm-1 attributed to CH stretching. The results for these bands showed that the Beer-Lambert Law was followed in wide range of concentration of palmitic acid (14 to 257 mmol L-1. Potassium ferricyanide (K3[Fe(CN6] was used as internal standard. Several interferents were tested and only cholesterol, ferric chloride (higher concentration, mixture of amino acids for the band at 2919 cm-1 (higher concentration and triglyceride could be interferent if they appear in high concentration. Thus, this new methodology has advantage to be not expensive and simple.

  19. FTIR, FT-Raman, FT-NMR and quantum chemical investigations of 3-acetylcoumarin.

    Science.gov (United States)

    Arjunan, V; Sakiladevi, S; Marchewka, M K; Mohan, S

    2013-05-15

    3-Acetylcoumarin (3AC) was synthesised by a Knoevenagel reaction. Conformational analysis using the B3LYP method was also carried out to determine the most stable conformation of the compound. FTIR and FT-Raman spectra of 3AC have been recorded in the range 4000-400 and 4000-100 cm(-1), respectively. (1)H and (13)C NMR spectra have also been recorded. The complete vibrational assignment and analysis of the fundamental modes of the compound were carried out using the experimental FTIR and FT-Raman data and quantum mechanical studies. The experimental vibrational frequencies were compared with the wavenumbers obtained theoretically from the DFT-B3LYP/B3PW91 gradient calculations employing the standard 6-31G(**), high level 6-311++G(**) and cc-pVTZ basis sets for optimised geometry of the compound. The frontier molecular orbital energies of the compound are determined by DFT method. Copyright © 2013 Elsevier B.V. All rights reserved.

  20. An Investigation of Consolidants Penetration in Wood. Part 2: FTIR Spectroscopy

    Directory of Open Access Journals (Sweden)

    Maria Cristina TIMAR

    2011-03-01

    Full Text Available FTIR spectroscopy was used in this work for studying the penetration of some consolidants frequentlyused in old wood conservation into test pieces of sound spruce wood (Picea abies wood. Thin microsections(30-60 μm of control and treated wood were analysed in reflectance mode using an ATR system. Theconsolidation products investigated were Paraloid B72, bee wax, a mixture of bee wax / linseed oil and twotypes of paraffins. These products presented FTIR spectra with characteristic common and specific bands,allowing their identification in the treated wood with no impediments coming from their colour, transparencyor the percent of cell lumena filling. The treatment of wood with these products brought about alterations ofthe spectra aspect by the appearance or intensification of some characteristic bands and the modification ofthe ratio between the areas of some characteristic absorption bands so that a qualitative and semiquantitativeevaluation of the presence and penetration depth and distribution of these consolidationproducts in wood was possible, proving the adopted method as valuable and useful for further research inthis field.

  1. TG-FTIR, DSC and quantum chemical studies of the thermal decomposition of quaternary methylammonium halides

    International Nuclear Information System (INIS)

    Sawicka, Marlena; Storoniak, Piotr; Skurski, Piotr; Blazejowski, Jerzy; Rak, Janusz

    2006-01-01

    The thermal decomposition of quaternary methylammonium halides was studied using thermogravimetry coupled to FTIR (TG-FTIR) and differential scanning calorimetry (DSC) as well as the DFT, MP2 and G2 quantum chemical methods. There is almost perfect agreement between the experimental IR spectra and those predicted at the B3LYP/6-311G(d,p) level: this has demonstrated for the first time that an equimolar mixture of trimethylamine and a methyl halide is produced as a result of decomposition. The experimental enthalpies of dissociation are 153.4, 171.2, and 186.7 kJ/mol for chloride, bromide and iodide, respectively, values that correlate well with the calculated enthalpies of dissociation based on crystal lattice energies and quantum chemical thermodynamic barriers. The experimental activation barriers estimated from the least-squares fit of the F1 kinetic model (first-order process) to thermogravimetric traces - 283, 244 and 204 kJ/mol for chloride, bromide and iodide, respectively - agree very well with theoretically calculated values. The theoretical approach assumed in this work has been shown capable of predicting the relevant characteristics of the thermal decomposition of solids with experimental accuracy

  2. Fiber optic FTIR instrument for in vivo detection of colonic neoplasia

    Science.gov (United States)

    Van Nortwick, Matthew; Hargrove, John; Wolters, Rolf; Crawford, James M.; Arroyo, May; Mackanos, Mark; Contag, Christopher H.; Wang, Thomas D.

    2009-02-01

    We demonstrate the proof of concept for use of a fiber optic FTIR instrument to perform in vivo detection of colonic neoplasia as an adjunct to medical endoscopy. FTIR is sensitive to the molecular composition of tissue, and can be used as a guide for biopsy by identifying pre-malignant tissue (dysplasia). First, we demonstrate the use of a silver halide optical fiber to collect mid-infrared absorption spectra in the 950 to 1800 cm-1 regime with high signal-to-noise from biopsy specimens of colonic mucosa tissue ex vivo. We observed subtle differences in wavenumber and magnitude of the absorbance peaks over this regime. We then show that optimal sub-ranges can be defined within this spectral regime and that spectral pre-processing can be performed to classify the tissue as normal, hyperplasia, or dysplasia with high levels of performance. We used a partial least squares discriminant analysis and a leave-one-subject-out crossvalidation strategy to classify the spectra. The results were compared with histology, and the optimal thresholds resulted in an overall sensitivity, specificity, accuracy, and positive predictive value of 96%, 92%, 93%, and 82%, respectively for this technique. We demonstrate that mid-infrared absorption spectra can be collected remotely with an optical fiber and used to identify colonic dysplasia with high accuracy. We are now developing an endoscope compatible optical fiber to use this technique clinically for the early detection of cancer.

  3. FT-IR microspectroscopy characterization of supports for enzyme immobilization in biosensing applications

    Science.gov (United States)

    Portaccio, M.; Della Ventura, B.; Gabrovska, K.; Marinov, I.; Godjevargova, T.; Mita, D. G.; Lepore, M.

    2010-04-01

    The investigation of materials suitable for enzyme immobilization in biosensing applications has a widespread interest. There are many studies on physico-chemical properties of these materials at macroscopic level but few studies have been devoted to examine and correlate these properties at microscopic level. FT-IR spectroscopy with Micro-Attenuated Total Reflection (Micro-ATR) approach can be extremely useful for understanding a variety of aspects of materials which can be used for optimising immobilization procedures. Moreover, this experimental approach is particularly simple to use (no sample preparation is required) and minimally invasive. Using a Perkin Elmer Spectrum One FT-IR spectrometer equipped with a mercury-cadmium-telluride detector and a micro-ATR element we investigated different materials used for immobilization procedures with various enzymes widely used for biosensing in environmental and clinical applications. In particular, composite membranes constituted by a chemically modified poly-acrylonitrile (PAN) membrane plus layers of tethered chitosan of different molecular weight have been examined. Also silica gel matrices without and with glucose oxidase have been investigated. Spectra have been analysed and the contribution of principal functional groups has been evidenced.

  4. Molecular structure of human aortic valve by μSR- FTIR microscopy

    Science.gov (United States)

    Borkowska, Anna M.; Nowakowski, Michał; Lis, Grzegorz J.; Wehbe, Katia; Cinque, Gianfelice; Kwiatek, Wojciech M.

    2017-11-01

    Aortic valve is a part of the heart most frequently affected by pathological processes in humans what constitute a very serious health problem. Therefore, studies of morphology and molecular microstructure of the AV are needed. μSR- FTIR spectroscopy and microscopy represent unique tools to study chemical composition of the tissue and to identify spectroscopic markers characteristic for structural and functional features. Normal AV reveals a multi-layered structure and the compositional and structural changes within particular layers may trigger degenerative processes within the valve. Thus, deep insight into the structure of the valve to understand pathological processes occurring in AV is needed. In order to identify differences between three layers of human AV, tissue sections of macroscopically normal AV were studied using μSR- FTIR spectroscopy in combination with histological and histochemical stainings. Tissue sections deposited onto CaF2 substrates were mapped and representative set of IR spectra collected from fibrosa, spongiosa and ventricularis were analysed by Principal Component Analysis (PCA) in the spectral range between 1850-1000 cm-1 and 3050-2750 cm-1. PCA revealed a layered molecular structure of the valve and it was possible to identify IR bands associated to different tissue parts. Spongiosa layer was well differentiated from other two layers mainly based on IR bands characteristic for the distribution of glycosaminoglycans (GAGs) in the tissue - like 1170 cm-1 (υas(C-O-S)) and 1380 cm-1 (acetyl amino group). Additionally, it was distinguished from fibrosa and ventricularis based on 1085 cm-1 and 1240 cm-1 bands characteristic for GAGs and for carbohydrates- ν(C-O) and ν(C-O-C) respectively and nucleic acids -νsym(PO2-) and νasym(PO2-) respectively, which were less specific for this layer. The use of μSR- FTIR spectroscopy demonstrated co-localization of GAGs and lipids in spongiosa layer what may indicate their contribution in the very

  5. Rapid identification of Pterocarpus santalinus and Dalbergia louvelii by FTIR and 2D correlation IR spectroscopy

    Science.gov (United States)

    Zhang, Fang-Da; Xu, Chang-Hua; Li, Ming-Yu; Huang, An-Min; Sun, Su-Qin

    2014-07-01

    Since Pterocarpus santalinus and Dalbergia louvelii, which are of precious Rosewood, are very similar in their appearance and anatomy characteristics, cheaper Hongmu D. louvelii is often illegally used to impersonate valuable P. santalinus, especially in Chinese furniture manufacture. In order to develop a rapid and effective method for easy confused wood furniture differentiation, we applied tri-step identification method, i.e., conventional infrared spectroscopy (FT-IR), second derivative infrared (SD-IR) spectroscopy and two-dimensional correlation infrared (2DCOS-IR) spectroscopy to investigate P. santalinus and D. louvelii furniture. According to FT-IR and SD-IR spectra, it has been found two unconditional stable difference at 848 cm-1 and 700 cm-1 and relative stable differences at 1735 cm-1, 1623 cm-1, 1614 cm-1, 1602 cm-1, 1509 cm-1, 1456 cm-1, 1200 cm-1, 1158 cm-1, 1055 cm-1, 1034 cm-1 and 895 cm-1 between D. louvelii and P. santalinus IR spectra. The stable discrepancy indicates that the category of extractives is different between the two species. Besides, the relative stable differences imply that the content of holocellulose in P. santalinus is more than that of D. louvelii, whereas the quantity of extractives in D. louvelii is higher. Furthermore, evident differences have been observed in their 2DCOS-IR spectra of 1550-1415 cm-1 and 1325-1030 cm-1. P. santalinus has two strong auto-peaks at 1459 cm-1 and 1467 cm-1, three mid-strong auto-peaks at 1518 cm-1, 1089 cm-1 and 1100 cm-1 and five weak auto-peaks at 1432 cm-1, 1437 cm-1, 1046 cm-1, 1056 cm-1 and 1307 cm-1 while D. louvelii has four strong auto-peaks at 1465 cm-1, 1523 cm-1, 1084 cm-1 and 1100 cm-1, four mid-strong auto-peaks at 1430 cm-1, 1499 cm-1, 1505 cm-1 and 1056 cm-1 and two auto-peaks at 1540 cm-1 and 1284 cm-1. This study has proved that FT-IR integrated with 2DCOS-IR could be applicable for precious wood furniture authentication in a direct, rapid and holistic manner.

  6. Retrieval and satellite intercomparison of O3 measurements from ground-based FTIR Spectrometer at Equatorial Station: Addis Ababa, Ethiopia

    Directory of Open Access Journals (Sweden)

    T. von Clarmann

    2013-02-01

    Full Text Available Since May 2009, high-resolution Fourier Transform Infrared (FTIR solar absorption spectra have been recorded at Addis Ababa (9.01° N latitude, 38.76° E longitude, 2443 m altitude above sea level, Ethiopia. The vertical profiles and total column amounts of ozone (O3 are deduced from the spectra by using the retrieval code PROFFIT (V9.5 and regularly determined instrumental line shape (ILS. A detailed error analysis of the O3 retrieval is performed. Averaging kernels of the target gas shows that the major contribution to the retrieved information comes from the measurement. The degrees of freedom for signals is found to be 2.1 on average for the retrieval of O3 from the observed FTIR spectra. The ozone Volume Mixing Ratio (VMR profiles and column amounts retrieved from FTIR spectra are compared with the coincident satellite observations of Microwave Limb Sounding (MLS, Michelson Interferometer for Passive Atmospheric Sounding (MIPAS, Tropospheric Emission Spectrometer (TES, Ozone Monitoring Instrument (OMI, Atmospheric Infrared Sounding (AIRS and Global Ozone Monitoring Experiment (GOME-2 instruments. The mean relative differences in ozone profiles of FTIR from MLS and MIPAS are generally lower than 15% within the altitude range of 27 to 36 km, whereas difference from TES is lower than 1%. Comparisons of measurements of column amounts from the satellite and the ground-based FTIR show very good agreement as exhibited by relative differences within +0.2% to +2.8% for FTIR versus MLS and GOME-2; and −0.9 to −9.0% for FTIR versus OMI, TES and AIRS. The corresponding standard deviations are within 2.0 to 2.8% for FTIR versus MLS and GOME-2 comparisons whereas that of FTIR versus OMI, TES and AIRS are within 3.5 to 7.3%. Thus, the retrieved O3 VMR and column amounts from a tropical site, Addis Ababa, is found to exhibit very good agreement with all coincident satellite observations over an approximate 3-yr period.

  7. Comparison of FTIR-ATR and Raman spectroscopy in determination of VLDL triglycerides in blood serum with PLS regression

    Science.gov (United States)

    Oleszko, Adam; Hartwich, Jadwiga; Wójtowicz, Anna; Gąsior-Głogowska, Marlena; Huras, Hubert; Komorowska, Małgorzata

    2017-08-01

    Hypertriglyceridemia, related with triglyceride (TG) in plasma above 1.7 mmol/L is one of the cardiovascular risk factors. Very low density lipoproteins (VLDL) are the main TG carriers. Despite being time consuming, demanding well-qualified staff and expensive instrumentation, ultracentrifugation technique still remains the gold standard for the VLDL isolation. Therefore faster and simpler method of VLDL-TG determination is needed. Vibrational spectroscopy, including FT-IR and Raman, is widely used technique in lipid and protein research. The aim of this study was assessment of Raman and FT-IR spectroscopy in determination of VLDL-TG directly in serum with the isolation step omitted. TG concentration in serum and in ultracentrifugated VLDL fractions from 32 patients were measured with reference colorimetric method. FT-IR and Raman spectra of VLDL and serum samples were acquired. Partial least square (PLS) regression was used for calibration and leave-one-out cross validation. Our results confirmed possibility of reagent-free determination of VLDL-TG directly in serum with both Raman and FT-IR spectroscopy. Quantitative VLDL testing by FT-IR and/or Raman spectroscopy applied directly to maternal serum seems to be promising screening test to identify women with increased risk of adverse pregnancy outcomes and patient friendly method of choice based on ease of performance, accuracy and efficiency.

  8. MICROSCOPY, MICRO-CHEMISTRY AND FTIR AS ANALYTICAL TOOLS FOR IDENTIFYING TRANSPARENT FINISHES CASE STUDIES FROM ASTRA MUSEUM – SIBIU

    Directory of Open Access Journals (Sweden)

    Maria Cristina TIMAR

    2015-12-01

    Full Text Available Conservation of cultural heritage relies on scientific investigation of artefacts, a key point being identification of the original materials. In this context, besides wood species identification, investigation of finishing layers is of ultimate importance for old furniture and any other wooden objects with historic, documentary or artistic value. The present paper refers to a series of micro-destructive investigation methods applied for identification of finishing materials, namely: simple in situ and laboratory physical tests, optical microscopy, micro-chemistry and FTIR – ATR analysis. Small samples of finishing layers were taken from four furniture objects belonging to CNM ASTRA Sibiu and were analysed according to the usual procedures of the laboratories from Sibiu and Brasov. The results showed that physical tests and microscopy are useful to get basic information on the samples’ morphology and possible classes of coating materials, while micro-chemistry revealed by some successive tests more specific information on the type of finishing materials. FTIR - ATR is a rapid method of identifying the coating materials based on available reference samples or spectra. However, this is not always straightforward and preliminary physical tests of solubility are useful to select the adequate references, while micro-chemistry tests could complete the FTIR result, especially for those components of the finishing layer present in very small amounts (less than 5%, bellow the FTIR sensitivity. Corroboration of microscopy, physical and micro-chemistry tests with FTIR can provide more reliable results in terms of finishes identification and also valuable information for restoration.

  9. Reaction kinetics of irradiation prepolymerized MMA-PU IPN by 5DXC FTIR

    International Nuclear Information System (INIS)

    Wu Yiming; Zhang Zhiping; Luo Ning

    2000-01-01

    The reaction kinetics of irradiation-prepolymerized MMA-PU (polyether) IPNs have been studied by FTIR. The results indicate that the polymerization of each component in the IPN follows its normal distinct reaction mechanism with no mutual interference. Increasing the concentration of TMPTAM (crosslinking agent of PMMA) increased the formation rate of PMMA, while the formation rate of PU networks remained almost the same. Increasing the concentration of TMP (crosslinking agent of PU) increased the formation rate of PU, while the formation rate of PMMA networks decreased. The formation rate of PU was obviously faster than that of PMMA. A theory for the cage effect of the PU network has been proposed. (author)

  10. FT-IR microscopical analysis with synchrotron radiation: The microscope optics and system performance

    International Nuclear Information System (INIS)

    Reffner, J.A.; Martoglio, P.A.; Williams, G.P.

    1995-01-01

    When a Fourier transform infrared (FT-IR) microspectrometer was first interfaced with the National Synchrotron Light Source (NSLS) in September 1993, there was an instant realization that the performance at the diffraction limit had increased 40-100 times. The synchrotron source transformed the IR microspectrometer into a true IR microprobe, providing high-quality IR spectra for probe diameters at the diffraction limit. The combination of IR microspectroscopy and synchrotron radiation provides a powerful new tool for molecular spectroscopy. The ability to perform IR microspectroscopy with synchrotron radiation is still under development at Brookhaven National Laboratory, but several initial studies have been completed that demonstrate the broad-ranging applications of this technology and its potential for materials characterization

  11. Measurements of industrial fugitive emissions by the FTIR Tracer Method (FTM)

    International Nuclear Information System (INIS)

    Mellqvist, J.; Arlander, B.; Galle, B.; Bergqvist, B.

    1996-01-01

    A new method called the FTIR Tracer Method (FTM), has been developed for measuring and quantifying fugitive (diffuse) emissions of hydrocarbons. The method has been evaluated in field experiments which were conducted in the vicinity of several petrochemical plants and an oil refinery during 1993-1995. The technique is based on concentration measurements with infrared remote sensing by Long Path Fourier Transform InfraRed (LPFTIR), combined with tracer releases. The field experiments show the FTM to be very useful for mass flux measurements of both alkanes and alkenes and that the measurements are consistent with the conventional SF 6 method. However, the technique needs to be further validated and a more thorough understanding of the measurement uncertainties have to be achieved

  12. Uranium sorption from aqueous solutions by activated biochar fibres investigated by FTIR spectroscopy and batch experiments

    International Nuclear Information System (INIS)

    Loukia Hadjittofi; Ioannis Pashalidis

    2015-01-01

    The efficiency of activated biochar fibres obtained from Opuntia ficus indica regarding the sorption of hexavalent uranium (U(VI)) from aqueous solutions has been investigated by batch experiments, as a function of various physicochemical parameters, and FTIR spectroscopy prior and after U(VI) sorption. The experimental results show that the activated biochar fibres possess extraordinary sorption capacity for U(VI) even in acidic solutions (q max = 210 g kg -1 ), which is attributed to the formation of inner-sphere complexes with the surface carboxylic moieties, available in high density on the lamellar structures of the bio-sorbent. The adsorption process is described by a two-step exothermic reaction. (author)

  13. FT-IR spectroscopic analyses of 2-(2-furanylmethylene) propanedinitrile

    Science.gov (United States)

    Soliman, H. S.; Eid, Kh. M.; Ali, H. A. M.; El-Mansy, M. A. M.; Atef, S. M.

    2013-03-01

    In the present work, a computational study for the optimized molecular structural parameters, thermo-chemical parameters, total dipole moment, HOMO-LUMO energy gap and a combined experimental and computational study for FT-IR spectra for 2-(2-furanylmethylene) propanedinitrile have been investigated using B3LYP utilizing 6-31G and 6-311G basis set. Our calculated results showed that the investigated compound possesses a dipole moment of 7.5 D and HOMO-LUMO energy gap of 3.92 eV using B3LYP/6-311G which indicates that our investigated compound is highly applicable for photovoltaic solar cell applications.

  14. Usage of FTIR-ATR as Non-Destructive Analysis of Selected Toxic Dyes

    Directory of Open Access Journals (Sweden)

    Bartošová Alica

    2017-06-01

    Full Text Available The degradation of the environment which is due to the discharge of polluting wastewater from industrial sources poses a real problem in several countries. Textile industries use large volumes of water in their operations, discharging thus large volume of wastewater into the environment, most of which is untreated. The wastewater contains a variety of chemicals from various stages of process operations, including desizing, scouring, bleaching and dyeing. The main purpose of this paper is to introduce Infrared Spectrometry with Fourier transformation as a non-destructive method for study, identifation and rapid determination of selected representatives of cationic (Methylene Blue, azo (Congo Red, Eriochrome Black T and nitroso (Naphthol Green B dyes. In conjunction with the ATR technique, FTIR offers a reliable detection method of dyes without extraction by other dangerous substances.

  15. Characterisation of 17th-18th centuries damask and gilt leathers by ATR-FTIR

    Directory of Open Access Journals (Sweden)

    Lina Falcão

    2018-01-01

    Full Text Available In this paper it is presented the characterisation of tannins used in the vegetable tanning of two types of European historic and decorative leathers from Portuguese collections, damask leathers and gilt leathers, dated from the 17th and 18th centuries. Extracts prepared from collected leather fibres were analysed by attenuated total reflectance – Fourier transform infrared (ATR-FTIR spectroscopy. Results were compared with data collected from different reference vegetable tanning materials which, according to historic and technical literature, were used in Europe during the Modern Age. This study allowed, in most cases, the characterisation of the tannins used to produce the studied decorative vegetable tanned leathers and, at the same time, the detection of chemical deterioration of leathers, particularly collagen hydrolysis, which was not visually perceived.

  16. Fringes in FTIR spectroscopy revisited: understanding and modelling fringes in infrared spectroscopy of thin films.

    Science.gov (United States)

    Konevskikh, Tatiana; Ponossov, Arkadi; Blümel, Reinhold; Lukacs, Rozalia; Kohler, Achim

    2015-06-21

    The appearance of fringes in the infrared spectroscopy of thin films seriously hinders the interpretation of chemical bands because fringes change the relative peak heights of chemical spectral bands. Thus, for the correct interpretation of chemical absorption bands, physical properties need to be separated from chemical characteristics. In the paper at hand we revisit the theory of the scattering of infrared radiation at thin absorbing films. Although, in general, scattering and absorption are connected by a complex refractive index, we show that for the scattering of infrared radiation at thin biological films, fringes and chemical absorbance can in good approximation be treated as additive. We further introduce a model-based pre-processing technique for separating fringes from chemical absorbance by extended multiplicative signal correction (EMSC). The technique is validated by simulated and experimental FTIR spectra. It is further shown that EMSC, as opposed to other suggested filtering methods for the removal of fringes, does not remove information related to chemical absorption.

  17. Fourier transform infrared (FTIR) fiber optic monitoring of composites during cure in an autoclave

    Science.gov (United States)

    Druy, Mark A.; Elandjian, Lucy; Stevenson, William A.; Driver, Richard D.; Leskowitz, Garett M.

    1990-01-01

    Real-time in situ monitoring of the chemical states of epoxy resins was investigated during cure in an autoclave using infrared evanescent spectroscopy. Fiber evanescent sensors were developed which may be sandwiched between the plies of the prepreg sample. A short length of sapphire fiber was used as the sensor cell portion of the fiber probe. Heavy metal fluoride glass optical fiber cables were designed for connecting the FTIR spectrometer to the sensor fiber within the autoclave. The sapphire fibers have outstanding mechanical thermal properties which should permit their use as an embedded link in all thermoset composites. The system is capable of operation at a temperature of 250 C for periods up to 8 hours without major changes to the fiber transmission. A discussion of the selection of suitable sensor fibers, the construction of a fiber-optic interface, and the interpretation of in situ infrared spectra of the curing process is presented.

  18. GC-FTIR-MS analysis of volatile radiolytic products in the radiolysis of nitroaniline

    International Nuclear Information System (INIS)

    Kuruc, J.; Sahoo, M.K.; Kubinec, R.

    1993-01-01

    A good deal of products formed in the γ-radiolysis of isomeric nitroaniline solutions in carbon tetrachloride have been identified using GC-FTIR-MS technique. Tetrachloroethylene, chlorobenzene, hexachloroethane isomeric di-, tri- and tetrachlorobenzenes and chloroisocyanatobenzenes are among the important products formed in the radiolysis. Formation of dichlorobenzene is the result of ipso-substitution of both the nitro and aniline group by chlorine atom and the subsequent chloration of dichlorobenzene results in the formation of polychlorobenzenes. Chloroisocyanatobenzene is proposed to be the product arising from the interaction of dichlorocarbene and the nitro group of nitroaniline followed by chlorination of the resulting product, isocyanatobenzene. A 94% yield of undissolved 1,2-aminonitrobenzene chloride salt is obtained from the radiolysis of o-nitroaniline solution in carbon tetrachloride with a radiation yield of 1.83 molecules per 100 eV absorbed energy for an irradiation dose of 267 kGy. (author) 9 refs.; 3 figs.; 2 tabs

  19. Degree of dissociation measured by FTIR absorption spectroscopy applied to VHF silane plasmas

    International Nuclear Information System (INIS)

    Sansonnens, L.; Howling, A.A.; Hollenstein, C.

    1997-10-01

    In situ Fourier transform infrared (FTIR) absorption spectroscopy has been used to determine the fractional depletion of silane in a radio-frequency (rf) glow discharge. The technique used a simple single pass arrangement and was implemented in a large area industrial reactor for deposition of amorphous silicon. Measurements were made on silane plasmas for a range of excitation frequencies. It was observed that at constant plasma power, the fractional depletion increased from 35% at 13.56 MHz to 70% at 70 MHz. With a simple model based on the density continuity equations in the gas phase, it was shown that this increase is due to a higher dissociation rate and is largely responsible for the observed increase in the deposition rate with the frequency. (author) 5 figs., 30 refs

  20. Usage of FTIR-ATR as Non-Destructive Analysis of Selected Toxic Dyes

    Science.gov (United States)

    Bartošová, Alica; Blinová, Lenka; Sirotiak, Maroš; Michalíková, Anna

    2017-06-01

    The degradation of the environment which is due to the discharge of polluting wastewater from industrial sources poses a real problem in several countries. Textile industries use large volumes of water in their operations, discharging thus large volume of wastewater into the environment, most of which is untreated. The wastewater contains a variety of chemicals from various stages of process operations, including desizing, scouring, bleaching and dyeing. The main purpose of this paper is to introduce Infrared Spectrometry with Fourier transformation as a non-destructive method for study, identifation and rapid determination of selected representatives of cationic (Methylene Blue), azo (Congo Red, Eriochrome Black T) and nitroso (Naphthol Green B) dyes. In conjunction with the ATR technique, FTIR offers a reliable detection method of dyes without extraction by other dangerous substances. Spectral interpretation of dye spectra revealed valuable information about the identification and characterization of each group of dyes.

  1. Analysis of pure and malachite green doped polysulfone sample using FT-IR technique

    Science.gov (United States)

    Nayak, Rashmi J.; Khare, P. K.; Nayak, J. G.

    2018-05-01

    The sample of pure and malachite green doped Polysulfone in the form of foil was prepared by isothermal immersion technique. For the preparation of pure sample 4 gm of Polysulfone was dissolved in 50 ml of Dimethyl farmamide (DMF) solvent, while for the preparation of doped sample 10 mg, 50 mg and 100 mg Malachite Green was mixed with 4 gm of Polysulfone respectively. For the study of structural characterization of these pure and doped sample, Fourier Transform Infra-Red Spectroscopy (FT-IR) technique was used. This study shows that the intensity of transmittance decreases as the ratio of doping increases in pure polysulfone. The reduction in intensity of transmittance is clearly apparent in the present case more over the bands were broader which indicates towards charge transfer interaction between the donar and acceptor molecule.

  2. Probing into the Interaction of Nicotine and Bovine Submaxillary Mucin: NMR, Fluorescence, and FTIR Approaches

    Directory of Open Access Journals (Sweden)

    Xiaoxiang Liao

    2016-01-01

    Full Text Available Nicotine, the important component of cigarette products, may have an impact on the oral environment after inhalation. The research of interaction between nicotine and bovine submaxillary mucin (BSM contributes to understand the binding mechanism of nicotine and BSM, and the effects of nicotine on the structure and function of the mucin. NMR data demonstrated that the interaction between nicotine and BSM did exist, and it was pyrrolidyl ring of nicotine playing the major role in the binding. The quenching mechanisms of nicotine and BSM in different pH were different: for acidic environment, the quenching was dynamic; while it became static in the alkaline circumstance. Synchronous fluorescence spectra indicated that nicotine had effect on the microenvironment of the Trp rather than Tyr residue. Meanwhile, the impact of nicotine on the conformation of BSM was also confirmed by 3D fluorescence and FTIR spectra.

  3. Reprocessability of PHB in extrusion: ATR-FTIR, tensile tests and thermal studies

    Directory of Open Access Journals (Sweden)

    Leonardo Fábio Rivas

    Full Text Available Abstract Mechanical recycling of biodegradable plastics has to be encouraged, since the consumption of energy and raw materials can be reduced towards a sustainable development in plastics materials. In this study, the evolution of thermal and mechanical properties, as well as structural changes of poly(hydroxybutyrate (PHB up to three extrusion cycles were investigated. Results indicated a significant reduction in mechanical properties already at the second extrusion cycle, with a reduction above 50% in the third cycle. An increase in the crystallinity index was observed due to chemicrystallization process during degradation by chain scission. On the other hand, significant changes in the chemical structure or in thermal stability of PHB cannot be detected by Fourier transform infrared spectroscopy (FTIR and thermogravimetric analyses (TGA, respectively.

  4. Gasoline quality prediction using gas chromatography and FTIR spectroscopy: An artificial intelligence approach

    Energy Technology Data Exchange (ETDEWEB)

    K. Brudzewski; A. Kesik; K. Kolodziejczyk; U. Zborowska; J. Ulaczyk [Warsaw University of Technology, Warsaw (Poland). Department of Chemistry

    2006-03-01

    This paper reports on analysis of 45 gasoline samples with different qualities, namely, octane number and chemical composition. Measurements of data from gas chromatography and IR (FTIR) spectroscopy are used to gasoline quality prediction and classification. The data were processed using principal component analysis (PCA) and fuzzy C means (FCM) algorithm. The data were then analyzed following the neural network paradigms, hybrid neural network and support vector machines (SVM) classifier. The IR spectra were compressed and de-noised by the discrete wavelet analysis. Using the hybrid neural network and multi linear regression method (MLRM), excellent correlation between chemical composition of the gasoline samples and predicted value of the octane number was obtained. About 100% correct classification for six different categories of the gasoline was achieved, each of which has different qualities. 9 refs., 4 figs., 5 tabs.

  5. Spectroelectrochemical study of polyphenylene by in situ external reflection FT-IR spectroscopy. Pt. 2

    International Nuclear Information System (INIS)

    Kvarnstroem, C.; Ivaska, A.

    1994-01-01

    In situ external reflection FT-IR measurements are performed during cyclic voltammetric scans on electrochemically polymerized polyphenylene films. The films are polymerized either in 0.1 or 0.8 M biphenyl in 0.1 M TBABF 4 in acetonitrile. Changes in the IR spectrum of films of different thicknesses are studied when the films are potentially cycled from the neutral to the oxidized states of the polymer. No differences between films made in high or low dimer concentration can be observed in the spectra. The potential-dependent insertion and expulsion of solvent, residual water, anions and cations in and out of the film have different behaviour in films of different thicknesses. Changes in the structure of the segments in the film, from the benzenoid form into the quinoid form, can be followed. Differences between the first and subsequent cyclic potential scans are observed. (orig.)

  6. FTIR free-jet set-up for the high resolution spectroscopic investigation of condensable species

    Science.gov (United States)

    Georges, R.; Bonnamy, A.; Benidar, A.; Decroi, M.; Boissoles, J.

    2002-05-01

    An existing experimental set-up combining Fourier transform infrared (FTIR) spectroscopy and free-jet cooling has been modified significantly to allow high resolution studies of the spectrum of monomer species which are liquid under standard conditions. Evaporation of the liquid samples is controlled by a condenser apparatus which is described. A supersonic planar expansion issuing from a narrow aperture is preferred for its very high cooling rate. Such an expansion, probed with a pitot tube, has a zone of limited temperature gradient close to the nozzle exit. The continuum isentropic model appears well suited to describing the thermodynamic properties of the flow up to a high number of nozzle diameters downstream. High resolution spectra of benzene and methanol have been recorded in the 3 µm wavelength range, and their analysis demonstrates a well defined rotational temperature in the 20-25 K range.

  7. Investigation of phase separated polyimide blend films containing boron nitride using FTIR imaging

    Science.gov (United States)

    Chae, Boknam; Hong, Deok Gi; Jung, Young Mee; Won, Jong Chan; Lee, Seung Woo

    2018-04-01

    Immiscible aromatic polyimide (PI) blend films and a PI blend film incorporated with thermally conductive boron nitride (BN) were prepared, and their phase separation behaviors were examined by optical microscopy and FTIR imaging. The 2,2‧-bis(trifluoromethyl)benzidine (TFMB)-containing and 4,4‧-thiodianiline (TDA)-containing aromatic PI blend films and a PI blend/BN composite film show two clearly separated regions; one region is the TFMB-rich phase, and the other region is the TDA-rich phase. The introduction of BN induces morphological changes in the immiscible aromatic PI blend film without altering the composition of either domain. In particular, the BN is selectively incorporated into the TDA-rich phase in this study.

  8. FT-IR microscopical analysis with synchrotron radiation: The microscope optics and system performance

    Energy Technology Data Exchange (ETDEWEB)

    Reffner, J.A.; Martoglio, P.A. [Spectra-Tech, Inc., Shelton, CT (United States); Williams, G.P. [Brookhaven National Lab., Upton, NY (United States)

    1995-01-01

    When a Fourier transform infrared (FT-IR) microspectrometer was first interfaced with the National Synchrotron Light Source (NSLS) in September 1993, there was an instant realization that the performance at the diffraction limit had increased 40-100 times. The synchrotron source transformed the IR microspectrometer into a true IR microprobe, providing high-quality IR spectra for probe diameters at the diffraction limit. The combination of IR microspectroscopy and synchrotron radiation provides a powerful new tool for molecular spectroscopy. The ability to perform IR microspectroscopy with synchrotron radiation is still under development at Brookhaven National Laboratory, but several initial studies have been completed that demonstrate the broad-ranging applications of this technology and its potential for materials characterization.

  9. Terroir of yeasts? – Application of FTIR spectroscopy and molecular methods for strain typing of yeasts

    Directory of Open Access Journals (Sweden)

    Gerhards Daniel

    2015-01-01

    Full Text Available The site specific influence on wine (Terroir is an often by wine producers, consumers and scientists discussed topic in the world of wine. A study on grapes and (spontaneous fermentations from six different vineyards was done to investigate the biodiversity of yeasts and to answer the question if there is a terroir of yeast and how it could be influenced. Randomly isolated yeasts were identified by FTIR-spectroscopy and molecular methods on species and strain level. Vineyard specific yeast floras would be observed but they are not such important as expected. Only a few overlapping strain patterns would be identified during both vintages. The yeast flora of the winery had a huge impact on the spontaneous fermentations, but is not really constant and influenced by different factors from outside.

  10. Mathematical Formulation used by MATLAB Code to Convert FTIR Interferograms to Calibrated Spectra

    Energy Technology Data Exchange (ETDEWEB)

    Armstrong, Derek Elswick [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2016-07-19

    This report discusses the mathematical procedures used to convert raw interferograms from Fourier transform infrared (FTIR) sensors to calibrated spectra. The work discussed in this report was completed as part of the Helios project at Los Alamos National Laboratory. MATLAB code was developed to convert the raw interferograms to calibrated spectra. The report summarizes the developed MATLAB scripts and functions, along with a description of the mathematical methods used by the code. The first step in working with raw interferograms is to convert them to uncalibrated spectra by applying an apodization function to the raw data and then by performing a Fourier transform. The developed MATLAB code also addresses phase error correction by applying the Mertz method. This report provides documentation for the MATLAB scripts.

  11. Impurity characterization of magnesium diuranate using simultaneous TG–DTA–FTIR measurements

    Energy Technology Data Exchange (ETDEWEB)

    Raje, Naina, E-mail: nraje@barc.gov.in [Analytical Chemistry Division, B.A.R.C., Mumbai 400 085 (India); Ghonge, Darshana K. [Analytical Chemistry Division, B.A.R.C., Mumbai 400 085 (India); Hemantha Rao, G.V.S. [NFC, ECIL Post, Hyderabad (India); Reddy, A.V.R. [Analytical Chemistry Division, B.A.R.C., Mumbai 400 085 (India)

    2013-05-15

    Current studies describe the application of simultaneous thermogravimetry–differential thermal analysis – evolved gas analysis techniques for the compositional characterization of magnesium diuranate (MDU) with respect to the impurities present in the matrix. The stoichiometric composition of MDU was identified as MgU{sub 2}O{sub 7}⋅3H{sub 2}O. Presence of carbonate and sulphate as impurities in the matrix was confirmed through the evolved gas analysis using Fourier Transformation Infrared Spectrometry detection. Carbon and magnesium hydroxide content present as impurities in magnesium diuranate have been determined quantitatively using TG and FTIR techniques and the results are in good agreement. Powder X-ray diffraction analysis of magnesium diuranate suggests the presence of magnesium hydroxide as impurity in the matrix. Also these studies confirm the formation of magnesium uranate, uranium sesquioxide and uranium dioxide above 1000 °C, due to the decomposition of magnesium diuranate.

  12. FTIR study of decomposition of carbon dioxide in dc corona discharges

    International Nuclear Information System (INIS)

    Horvath, G; Skalny, J D; Mason, N J

    2008-01-01

    The decomposition rate of carbon dioxide and the generation of ozone and carbon monoxide in coaxial corona discharges fed by pure CO 2 has been investigated in a dc corona discharge operated in both positive and negative polarities using FTIR spectroscopy. The degree of CO 2 decomposition is found to be dependent on the voltage, U, with a maximum CO 2 decomposition of nearly 10% found in a negative corona discharge for U = 7.5 kV. In all cases the amount of CO 2 decomposition was lower in positive polarity discharges than in negative polarity discharges operated under same conditions. CO and ozone were found to be the main products observed in the discharges.

  13. FTIR study of decomposition of carbon dioxide in dc corona discharges

    Energy Technology Data Exchange (ETDEWEB)

    Horvath, G; Skalny, J D [Department of Experimental Physics, Comenius University, Mlynska dolina F-2, 842 48, Bratislava (Slovakia); Mason, N J [Open University, Department of Physics and Astronomy, Walton Hall, Milton Keynes MK7 6AA (United Kingdom)

    2008-11-21

    The decomposition rate of carbon dioxide and the generation of ozone and carbon monoxide in coaxial corona discharges fed by pure CO{sub 2} has been investigated in a dc corona discharge operated in both positive and negative polarities using FTIR spectroscopy. The degree of CO{sub 2} decomposition is found to be dependent on the voltage, U, with a maximum CO{sub 2} decomposition of nearly 10% found in a negative corona discharge for U = 7.5 kV. In all cases the amount of CO{sub 2} decomposition was lower in positive polarity discharges than in negative polarity discharges operated under same conditions. CO and ozone were found to be the main products observed in the discharges.

  14. FTIR and morphology of liquid epoxidized natural rubber acrylate (LENRA)/silica hybrid composites

    International Nuclear Information System (INIS)

    Eda Yuhana Ariffin; Azizan Ahmad; Dahlan Mohd; Mahathir Mohamed

    2009-01-01

    Synthesis of organic-inorganic hybrid composites was carried out by combination of liquid epoxidized natural rubber acrylate (LENRA) and silica. Silica was introduce to the matrix by sol gel technique. The sol-gel technique was employed to prepare silica using tetraethyorthosilicate (TEOS) as precursor. HDDA and irga cure 184 were added to the formulations as reactive diluents and photosensitizer, respectively. The chemical modification was studied by Fourier Transform Infrared (FTIR) and energy dispersive X-ray analysis (EDAX). The morphological studies were conducted by the optical and scanning electron microscopes (SEM). It shows that silica was dispersed very well in the matrix for lower concentration of TEOS while agglomeration occurs at the higher concentration. The average particles size of silica were less than 100 nm. (Author)

  15. Analysis of cosmetic residues on a single human hair by ATR FT-IR microspectroscopy

    Science.gov (United States)

    Pienpinijtham, Prompong; Thammacharoen, Chuchaat; Naranitad, Suwimol; Ekgasit, Sanong

    2018-05-01

    In this work, ATR FT-IR spectra of single human hair and cosmetic residues on hair surface are successfully collected using a homemade dome-shaped Ge μIRE accessary installed on an infrared microscope. By collecting ATR spectra of hairs from the same person, the spectral patterns are identical and superimposed while different spectral features are observed from ATR spectra of hairs collected from different persons. The spectral differences depend on individual hair characteristics, chemical treatments, and cosmetics on hair surface. The "Contact-and-Collect" technique that transfers remarkable materials on the hair surface to the tip of the Ge μIRE enables an identification of cosmetics on a single hair. Moreover, the differences between un-split and split hairs are also studied in this report. These highly specific spectral features can be employed for unique identification or for differentiation of hairs based on the molecular structures of hairs and cosmetics on hairs.

  16. The thermal analysis of poly(ethylene terephthalate) by FTIR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Ziyu [The School of Metallurgy and Materials, The College of Physical Sciences and Engineering, The University of Birmingham, Edgbaston, Birmingham B15 2TT (United Kingdom); Hay, J.N., E-mail: j.n.hay@bham.ac.uk [The School of Metallurgy and Materials, The College of Physical Sciences and Engineering, The University of Birmingham, Edgbaston, Birmingham B15 2TT (United Kingdom); Jenkins, M.J. [The School of Metallurgy and Materials, The College of Physical Sciences and Engineering, The University of Birmingham, Edgbaston, Birmingham B15 2TT (United Kingdom)

    2013-01-20

    Graphical abstract: Changes to infra-red spectra of poly(ethylene terephthalate) on heating and cooling. Highlights: Black-Right-Pointing-Pointer Microgram samples have been analysed to determine glass transition, crystallization and melting behaviour of PET. Black-Right-Pointing-Pointer The absorbance of cis/trans bands have been followed with temperature on heating and cooling. Black-Right-Pointing-Pointer Fractional crystallinity was determined directly without calibration. Black-Right-Pointing-Pointer The IR absorption bands are characterized as type I or type II according to their behaviour with temperature. - Abstract: Thermal analysis-FTIR spectroscopy, TA-FTIR, has been used to characterize the phase transitions in thin films of poly(ethylene terephthalate) and it has been shown to have distinct advantages over other TA techniques in particular it was not so limited in sensitivity. Since the technique measured property, such as amorphous content or fractional crystallinity directly rather than the rate of change of the properties with time or temperature, it was not so restricted in the time scale over which measurements were made. It also had the advantage of measuring the change in concentration of different functional groups with temperature and determining the temperature range over which chain mobility set in and defining the type of molecular groups involved in the configurational changes. The change in absorbance and shift in peak position with temperature are discussed in terms of the separation of crystalline and amorphous bands as well as defining the cis/trans ratio as a function of temperature. Depending on the change in absorbance or peak position with temperature of the IR bands, they have been characterized as type I or type II behaviour. Measurements on both have been used to characterize the glass transition, crystallization and melting behaviour of PET.

  17. Influence of metal additives on pyrolysis behavior of bituminous coal by TG-FTIR analysis

    Energy Technology Data Exchange (ETDEWEB)

    Su, Wenjuan; Fang, Mengxiang; Cen, Jianmeng; Li, Chao; Luo, Zhongyang; Cen, Kefa [Zhejiang Univ., Hangzhou (China). State Key Lab. of Clean Energy Utilization

    2013-07-01

    To study the catalytic effects of alkali, alkaline earth and transition metal additives on coal pyrolysis behavior, bituminous coal loaded NaCl, KCl, CaCl{sub 2}, MgCl{sub 2}, FeCl{sub 3} and NiCl{sub 2} was respectively investigated using Thermogravimetry and Fourier Transform Infrared Spectroscopy (TG-FTIR). Results indicated that the maximum mass loss rate decreased under the metal additives in the primary pyrolysis stage. The total mass loss of pyrolysis was reduced in metals catalyzed pyrolysis except for Na loaded sample. Kinetic analysis was taken for all samples adopting the method of Coats-Redfern. Activation energy of raw coal in the primary pyrolysis stage was 92.15vkJ.mol{sup -1}, which was lowered to 44.59-73.42 kJ.mol{sup -1} under metal additives. The orders of catalytic effect for this bituminous coal were Mg > Fe > Ca > Ni > K > Na according to their activation energies. Several investigated volatiles including CH{sub 4}, CO{sub 2}, CO, toluene, phenol and formic acid were identified from FTIR spectra. The yields of CH{sub 4}, CO{sub 2}, toluene, phenol and formic acid were decreased, but the evolution of CO was increased. The presence of metals in the coal samples have been involved in a repeated bond-forming and bond-breaking process, which greatly hindered the release of tars during pyrolysis as the tar precursors were connected to coal/char matrix and were thermally cracked, becoming a part of char.

  18. Cutaneous approach towards clinical and pathophysiological aspects of hyperglycemia by ATR FTIR spectroscopy

    Science.gov (United States)

    Eikje, Natalja Skrebova; Sota, Takayuki; Aizawa, Katsuo

    2007-07-01

    Attempts were made to non-invasively detect glucose-specific spectral signals in the skin by ATR-FTIR spectroscopy. In vivo spectra were collected from the inner wrists of healthy, prediabetes and diabetes subjects in the 750-4000 cm -1 region, with a closer assessment of the glucose-related region between 1000 and 1180 cm -1. Spectra in vivo showed glucose-specific peaks at 1030, 1080, 1118 and 1151 cm -1, as a variety of glucose solutions are found in vitro. Based on the differences of intensities at 1030 and 1118 cm -1 two spectral patterns were seen: I 1118 > I 1030 for a diabetes and I 1030> I 1118 for non-diabetes subjects. The peak at 1030 cm -1 was used to assess glucose concentrations in the skin due to its good correlation with glucose concentrations in vitro. Calculated mean values of the peak at 1030 cm -1 showed evidence of correlation with blood glucose levels when grouped as = 200 mg/dL, though there was no constant correlation between them when compared before/after OGTT or at the fasting/postprandial states. Absorbances at 1030 cm -1 were not only increased in a dose-dependent manner in a diabetes patient, but were also generally higher than in non-diabetes subjects at 30 min OGTT assessment. Also we could monitor absorbances at 1030 cm -1 and determine their changes in the skin tissue at different times of OGTT. We assume that our approach to in vivo measurement and monitoring of glucose concentrations at 1030 cm -1 may be one of the indicators to assess glucose activity level and its changes in the skin tissue, and has further implications in the study of clinical and pathophysiological aspects of hyperglycemia in diabetes and non-diabetes subjects by ATR-FTIR spectroscopy.

  19. Rapid detection of NBOME's and other NPS on blotter papers by direct ATR-FTIR spectrometry.

    Science.gov (United States)

    Coelho Neto, José

    2015-07-01

    Blotter paper is among the most common forms of consumption of new psychotropic substances (NPS), formerly referred as designer drugs. In many cases, users are misled to believe they are taking LSD when, in fact, they are taking newer and less known drugs like the NBOMEs or other substituted phenethylamines. We report our findings in quick testing of blotter papers for illicit substances like NBOMEs and other NPS by taking ATR-FTIR spectra directly from blotters seized on the streets, without any sample preparation. Both sides (front and back) of each blotter were tested. Collected data were analyzed by single- and multi-component spectral matching and submitted to chemometric discriminant analysis. Our results showed that, on 66.7% of the cases analyzed, seized blotters contained one or more types of NBOMEs, confirming the growing presence of this novel substances on the market. Matching IR signals were detected on both or just one side of the blotters and showed variable strength. Although no quantitative analysis was made, detection of these substances by the proposed approach serves as indication of variable and possibly higher dosages per blotter when compared to LSD, which showed to be below the detection limit of the applied method. Blotters containing a mescaline-like compound, later confirmed by GC-MS and LC-MS to be MAL (methallylescaline), a substance very similar to mescaline, were detected among the samples tested. Validity of direct ATR-FTIR testing was confirmed by checking the obtained results against independent GC-MS or LC-MS results for the same cases/samples. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

  20. Persistent explosive activity at Stromboli investigated with OP-FTIR and SO2 cameras

    Science.gov (United States)

    Burton, M. R.; La Spina, A.; Sawyer, G. M.; Harris, A. J.

    2012-12-01

    Stromboli volcano in Italy exhibits what is perhaps one of the most well-known examples of cyclic activity, in the form of its regular explosions, which send a few m3 of material 100-200 m into the air every 10-20 minutes. Recent developments in measurements of volatile release from Stromboli using a series of novel approaches have allowed this cyclic behaviour to be examined in detail. In particular, the use of an automated OP-FTIR has revealed unprecedented detail in the dynamics of degassing from individual craters at the summit of Stromboli. Furthermore, the variations in composition of explosive degassing from Stromboli demonstrate a deep source ~2 km for the gas slugs which produce explosions at this volcano, in contrast to the commonly-held view that gas coalescence at shallow depth is responsible for the behaviour. The SO2 camera has revealed fascinating new details on the dynamics of degassing at Stromboli, and has allowed direct quantification of the amount of gas released during explosions and through quiescent degassing. The remarkable observation that 99% of degassing takes place quiescently, and that the explosions, whilst apparently more significant, are in fact a secondary process compared with the mass and energy involved in background, quiet processes. The new insight that the explosions are actually only a relatively minor aspect of the activity (in terms of mass and energy) actually makes the regularity of the cyclic explosive activity still more remarkable. In this paper we present a detailed overview of the state of the art of our understanding of cyclic explosive activity at Stromboli volcano from the perspective of recent advances in geochemical monitoring of the gas emissions. We also report initial results from a multidisciplinary campaign on Stromboli which utilised both OP-FTIR and SO2 camera techniques.

  1. A Low Mass Translation Mechanism for Planetary FTIR Spectrometry using an Ultrasonic Piezo Linear Motor

    Science.gov (United States)

    Heverly, Matthew; Dougherty, Sean; Toon, Geoffrey; Soto, Alejandro; Blavier, Jean-Francois

    2004-01-01

    One of the key components of a Fourier Transform Infrared Spectrometer (FTIR) is the linear translation stage used to vary the optical path length between the two arms of the interferometer. This translation mechanism must produce extremely constant velocity motion across its entire range of travel to allow the instrument to attain high signal-to-noise ratio and spectral resolving power. A new spectrometer is being developed at the Jet Propulsion Laboratory under NASA s Planetary Instrument Definition and Development Program (PIDDP). The goal of this project is to build upon existing spaceborne FTIR spectrometer technology to produce a new instrument prototype that has drastically superior spectral resolution and substantially lower mass, making it feasible for planetary exploration. In order to achieve these goals, Alliance Spacesystems, Inc. (ASI) has developed a linear translation mechanism using a novel ultrasonic piezo linear motor in conjunction with a fully kinematic, fault tolerant linear rail system. The piezo motor provides extremely smooth motion, is inherently redundant, and is capable of producing unlimited travel. The kinematic rail uses spherical Vespel(R). rollers and bushings, which eliminates the need for wet lubrication, while providing a fault tolerant platform for smooth linear motion that will not bind under misalignment or structural deformation. This system can produce velocities from 10 - 100 mm/s with less than 1% velocity error over the entire 100-mm length of travel for a total mechanism mass of less than 850 grams. This system has performed over half a million strokes under vacuum without excessive wear or degradation in performance. This paper covers the design, development, and testing of this linear translation mechanism as part of the Planetary Atmosphere Occultation Spectrometer (PAOS) instrument prototype development program.

  2. Rapid quantification of TBP and TBP degradation product ratios by FTIR-ATR

    International Nuclear Information System (INIS)

    Gillens, A.R.; Powell, B.A.; Clemson University, Clemson, SC

    2013-01-01

    Tri-n-butyl phosphate (TBP) is the key complexant within the plutonium and uranium reduction extraction process used to extract uranium and plutonium from used nuclear fuel. During reprocessing TBP degrades to dibutyl phosphate (DBP), butyl acid phosphate (MBP), butanol, and phosphoric acid over time. A method for rapidly monitoring TBP degradation is needed for the support of nuclear forensics. Therefore, a Fourier transform infrared spectrometry-attenuated total reflectance (FTIR-ATR) technique was developed to determine approximate peak intensity ratios of TBP and its degradation products. The technique was developed by combining variable concentrations of TBP, DBP, and MBP to simulate TBP degradation. This method is achieved by analyzing selected peak positions and peak intensity ratios of TBP and DBP at different stages of degradation. The developed technique was tested on TBP samples degraded with nitric acid. In mock degradation samples, the 1,235 cm -1 peak position shifts to 1,220 cm -1 as the concentration of TBP decreases and DBP increases. Peak intensity ratios of TBP positions at 1,279 and 1,020 cm -1 relative to DBP positions at 909 and 1,003 cm -1 demonstrate an increasing trend as the concentration of DBP increases. The same peak intensity ratios were used to analyze DBP relative to MBP whereas a decreasing trend is seen with increasing DBP concentrations. The technique developed from this study may be used as a tool to determine TBP degradation in nuclear reprocessing via a rapid FTIR-ATR measurement without gas chromatography analysis. (author)

  3. 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.

  4. Root Differentiation of Agricultural Plant Cultivars and Proveniences Using FTIR Spectroscopy

    Directory of Open Access Journals (Sweden)

    Nicole Legner

    2018-06-01

    Full Text Available The differentiation of roots of agricultural species is desired for a deeper understanding of the belowground root interaction which helps to understand the complex interaction in intercropping and crop-weed systems. The roots can be reliably differentiated via Fourier transform infrared spectroscopy with attenuated total reflection (FTIR-ATR. In two replicated greenhouse experiments, six pea cultivars, five oat cultivars as well as seven maize cultivars and five barnyard grass proveniences (n = 10 plants/cultivar or provenience were grown under controlled conditions. One root of each plant was harvested and five different root segments of each root were separated, dried and measured with FTIR-ATR spectroscopy. The results showed that, firstly, the root spectra of single pea and single oat cultivars as well as single maize and single barnyard grass cultivars/proveniences separated species-specific in cluster analyses. In the majority of cases the species separation was correct, but in a few cases, the spectra of the root tips had to be omitted to ensure the precise separation between the species. Therefore, species differentiation is possible regardless of the cultivar or provenience. Consequently, all tested cultivars of pea and oat spectra were analyzed together and separated within a cluster analysis according to their affiliated species. The same result was found in a cluster analysis with maize and barnyard grass spectra. Secondly, a cluster analysis with all species (pea, oat, maize and barnyard grass was performed. The species split up species-specific and formed a dicotyledonous pea cluster and a monocotyledonous cluster subdivided in oat, maize and barnyard grass subclusters. Thirdly, cultivar or provenience differentiations within one species were possible in one of the two replicated experiments. But these separations were less resilient.

  5. Interaction between vitamin D 2 and magnesium in liposomes: Differential scanning calorimetry and FTIR spectroscopy studies

    Science.gov (United States)

    Toyran, Neslihan; Severcan, Feride

    2007-08-01

    Magnesium (Mg 2+) ion is of great importance in physiology by its intervention in 300 enzymatic systems, its role in membrane structure, its function in neuromuscular excitability and vitamin D metabolism and/or action. In the present study, the interaction of Mg 2+, at low (1 mole %) and high (7 mole %) concentrations with dipalmitoyl phosphatidylcholine (DPPC) liposomes has been studied in the presence and absence of vitamin D 2 (1 mole %) by using two noninvasive techniques, namely differential scanning calorimetry (DSC) and Fourier transform infrared (FTIR) spectroscopy. DSC studies reveal that the presence of vitamin D 2 in the pure or Mg 2+ (at both low and high concentrations) containing liposomes diminishes the pretransition. The calorimetric results also reveal that, inclusion of Mg 2+ (more significantly at high concentration) into pure or vitamin D 2 containing DPPC liposomes increases the main phase transition temperature. The investigation of the CH 2 symmetric, the CH 3 asymmetric, the C dbnd O stretching, and the PO2- antisymmetric double bond stretching bands in FTIR spectra with respect to changes occurring in the wavenumber and/or the bandwidth values as a function of temperature reveal that, inclusion of vitamin D 2 or Mg 2+ into pure DPPC liposomes orders and decreases the dynamics of the acyl chains in both gel and liquid-crystalline phases and does not induce hydrogen bond formation in the interfacial region. Furthermore, the dynamics of the head groups of the liposomes decreases in both phases. Our findings reveal that, simultaneous presence of vitamin D 2 and Mg 2+ alters the effect of each other, which is reflected as a decrease in the interactions between these two additives within the model membrane.

  6. Triple helical polynucleotidic structures: an FTIR study of the C+ .G. Ctriplet.

    Science.gov (United States)

    Akhebat, A; Dagneaux, C; Liquier, J; Taillandier, E

    1992-12-01

    Triple helixes containing one homopurine poly dG or poly rG strand and two homopyrimidine poly dC or poly rC strands have been prepared and studied by FTIR spectroscopy in H2O and D2O solutions. The spectra are discussed by comparison with those of the corresponding third strands (auto associated or not) and of double stranded poly dG.poly dC and poly rG.poly rC in the same concentration range and salt conditions. The triplex formation is characterized by the study of the base-base interactions reflected by changes in the spectral domain involving the in-plane double bond vibrations of the bases. Modifications of the initial duplex conformation (A family form for poly rG.poly rC, B family form for poly dG.poly dC) when the triplex is formed have been investigated. Two spectral domains (950-800 and 1450-1350 cm-1) containing absorption bands markers of the N and S type sugar geometries have been extensively studied. The spectra of the triplexes prepared starting with a double helix containing only riboses (poly rC+.poly rG.poly rC and poly dC+.poly rG.poly rC) as well as that of poly rC+.poly dG.poly dC present exclusively markers of the North type geometry of the sugars. On the contrary in the case of the poly dC+.poly dG.poly dC triplex both N and S type sugars are shown to coexist. The FTIR spectra allow us to propose that in this case the sugars of the purine (poly dG) strand adopt the S type geometry.

  7. The thermal analysis of poly(ethylene terephthalate) by FTIR spectroscopy

    International Nuclear Information System (INIS)

    Chen, Ziyu; Hay, J.N.; Jenkins, M.J.

    2013-01-01

    Graphical abstract: Changes to infra-red spectra of poly(ethylene terephthalate) on heating and cooling. Highlights: ► Microgram samples have been analysed to determine glass transition, crystallization and melting behaviour of PET. ► The absorbance of cis/trans bands have been followed with temperature on heating and cooling. ► Fractional crystallinity was determined directly without calibration. ► The IR absorption bands are characterized as type I or type II according to their behaviour with temperature. - Abstract: Thermal analysis-FTIR spectroscopy, TA-FTIR, has been used to characterize the phase transitions in thin films of poly(ethylene terephthalate) and it has been shown to have distinct advantages over other TA techniques in particular it was not so limited in sensitivity. Since the technique measured property, such as amorphous content or fractional crystallinity directly rather than the rate of change of the properties with time or temperature, it was not so restricted in the time scale over which measurements were made. It also had the advantage of measuring the change in concentration of different functional groups with temperature and determining the temperature range over which chain mobility set in and defining the type of molecular groups involved in the configurational changes. The change in absorbance and shift in peak position with temperature are discussed in terms of the separation of crystalline and amorphous bands as well as defining the cis/trans ratio as a function of temperature. Depending on the change in absorbance or peak position with temperature of the IR bands, they have been characterized as type I or type II behaviour. Measurements on both have been used to characterize the glass transition, crystallization and melting behaviour of PET.

  8. XPS and FTIR spectroscopic study on microwave treated high phosphorus iron ore

    Energy Technology Data Exchange (ETDEWEB)

    Omran, Mamdouh, E-mail: mamdouh.omran@oulu.fi [Process Metallurgy Research Group, Faculty of Technology, University of Oulu (Finland); Mineral Processing and Agglomeration Lab, Central Metallurgical Research and Development Institute, Cairo (Egypt); Fabritius, Timo [Process Metallurgy Research Group, Faculty of Technology, University of Oulu (Finland); Elmahdy, Ahmed M.; Abdel-Khalek, Nagui A. [Mineral Processing and Agglomeration Lab, Central Metallurgical Research and Development Institute, Cairo (Egypt); El-Aref, Mortada; Elmanawi, Abd El-Hamid [Geology Department, Faculty of Science, Cairo University, Giza 12613 (Egypt)

    2015-08-01

    Highlights: • The effect of microwave radiation on structure and chemical state of high phosphorus iron ore was studied. • FTIR analyses showed that after microwave radiation the functional chemical groups of phosphorus bearing minerals (fluorapatite) dissociated. • High resolution XPS analyses of Fe 2p peaks showed that after microwave radiation a portion of Fe(+III) was reduced to Fe(+II). • Microwave radiation had a positive effect on the magnetic properties of iron oxide, through formation of ferromagnetic phases. - Abstract: A growing interest in microwave heating has emerged recently. Several potential microwave applications regarding minerals’ processing have been investigated. This paper investigates the effect of microwave radiation on Egyptian high phosphorus iron ore. Three different iron ore samples have varying Fe{sub 2}O{sub 3} and P{sub 2}O{sub 5} contents and mineralogical textures were studied. A comparative study has been carried out between untreated and microwave treated iron ore. XRD and FTIR analyses showed that after microwave radiation the crystallinity of iron bearing minerals (hematite) increased, while the functional chemical groups of phosphorus bearing minerals (fluorapatite) and other gangues dissociated. High resolution XPS analyses of Fe 2p peaks showed that after microwave radiation a portion of Fe(+III) was reduced to Fe(+II). This means that after microwave radiation iron oxide (hematite, Fe{sup 3+}) transformed into more magnetic phase. The results indicated that microwave radiation had a positive effect on the magnetic properties of iron oxide, through formation of ferromagnetic phases.

  9. In situ detection of cancerous kidney tissue by means of fiber ATR-FTIR spectroscopy

    Science.gov (United States)

    Sablinskas, Valdas; Velicka, Martynas; Pucetaite, Milda; Urboniene, Vidita; Ceponkus, Justinas; Bandzeviciute, Rimante; Jankevicius, Feliksas; Sakharova, Tatiana; Bibikova, Olga; Steiner, Gerald

    2018-02-01

    The crucial goal of kidney-sparing surgical resection of a malignant tumor is complete removal of the cancerous tissue. The exact border between the cancerous and normal tissues is not always possible to identify by naked eye, therefore, a supplementary intraoperative diagnosis is needed. Unfortunately, intraoperative pathology methods used nowadays are time consuming and of inadequate quality rendering not definitive diagnosis. It has recently been shown that ATR-FTIR spectroscopy can be used for fast discrimination between cancerous and normal kidney tissues by analyzing the collected spectra of the tissue touch imprint smears. Most prominent differences are obtained in the wavenumber region from 950 cm-1 to 1250 cm-1, where the spectral bands due to the molecular vibrations of glycogen arise in the spectra of cancerous tissue smears. Such method of detection of cancerous tissue is limited by requirement to transfer the suspected tissue from the body to the FTIR instrument and stamp it on an ATR crystal of the spectrometer. We propose a spectroscopic tool which exploits the same principle of detection of cancerous cells as mentioned above, but does not require the tissue to be transferred from the body to the spectrometer. The portable spectrometer used in this design is equipped with fiber ATR probe and a sensitive liquid nitrogen cooled MCT detector. The design of the fiber probe allows the ATR tip to be changed easily in order to use only new sterilized tips for each measurement point of the tissue. It also enables sampling multiple areas of the suspected tissue with high lateral resolution which, in turn, increases accuracy with which the marginal regions between normal and cancerous tissues can be identified. Due to the loss of optical signal in the fiber probe the spectra have lower signal-to-noise ratio than in the case of standard ATR sampling setup. However, software for the spectral analysis used with the fiber probe design is still able to distinguish

  10. Studies of the structure of insulin fibrils by Fourier transform infrared (FTIR) spectroscopy and electron microscopy.

    Science.gov (United States)

    Nielsen, L; Frokjaer, S; Carpenter, J F; Brange, J

    2001-01-01

    Fibril formation (aggregation) of insulin was investigated in acid media by visual inspection, transmission electron microscopy (TEM), and Fourier transform infrared (FTIR) spectroscopy. Insulin fibrillated faster in hydrochloric acid than in acetic acid at elevated temperatures, whereas the fibrillation tendencies were reversed at ambient temperatures. Electron micrographs showed that bovine insulin fibrils consisted of long fibers with a diameter of 5 to 10 nm and lengths of several microns. The fibrils appeared either as helical filaments (in hydrochloric acid) or arranged laterally in bundles (in acetic acid, NaCl). Freeze-thawing cycles broke the fibrils into shorter segments. FTIR spectroscopy showed that the native secondary structure of insulin was identical in hydrochloric acid and acetic acid, whereas the secondary structure of fibrils formed in hydrochloric acid was different from that formed in acetic acid. Fibrils of bovine insulin prepared by heating or agitating an acid solution of insulin showed an increased content of beta-sheet (mostly intermolecular) and a decrease in the intensity of the alpha-helix band. In hydrochloric acid, the frequencies of the beta-sheet bands depended on whether the fibrillation was induced by heating or agitation. This difference was not seen in acetic acid. Freeze-thawing cycles of the fibrils in hydrochloric acid caused an increase in the intensity of the band at 1635 cm(-1) concomitant with reduction of the band at 1622 cm(-1). The results showed that the structure of insulin fibrils is highly dependent on the composition of the acid media and on the treatment. Copyright 2001 Wiley-Liss Inc. and the American Pharmaceutical Association J Pharm Sci 90: 29-37, 2001

  11. Evaluation of ionizing radiation effects in bone tissue by FTIR spectroscopy and dynamic mechanical analysis

    International Nuclear Information System (INIS)

    Veloso, Marcelo N.; Santin, Stefany P.; Benetti, Carolina; Pereira, Thiago M.; Mattor, Monica B.; Politano, Rodolfo; Zezell, Denise M.

    2013-01-01

    In many medical practices the bone tissue exposure to ionizing radiation is necessary. However, this radiation can interact with bone tissue in a molecular level, causing chemical and mechanical changes related with the dose used. The aim of this study was verify the changes promoted by different doses of ionizing radiation in bone tissue using spectroscopy technique of Attenuate Total Reflectance - Fourier Transforms Infrared (ATR-FTIR) and dynamic mechanical analysis. Samples of bovine bone were irradiated using irradiator of Cobalt-60 with five different doses between 0.01 kGy, 0.1 kGy,1 kGy, 15 kGy and 75 kGy. To study the effects of ionizing irradiation on bone chemical structure the sub-bands of amide I and the crystallinity index were studied. The mechanical changes were evaluated using the elastic modulus and the damping value. To verify if the chemical changes and the bone mechanic characteristics were related, it was made one study about the correlation between the crystallinity index and the elastic modulus, between the sub-bands ratio and the damping value and between the sub-bands ratio and the elastic modulus. It was possible to evaluate the effects of different dose of ionizing radiation in bone tissue. With ATR-FTIR spectroscopy analysis, it was possible observe changes in the organic components and in the hydroxyapatite crystals organization. Changes were also observed in the mechanical properties. A good correlation between the techniques was found, however, it was not possible to establish a linear or exponential dependence between dose and effect. (author)

  12. A comparison of transmission, reflection and photoacoustic FTIR techniques in the analysis of recycled and irradiated polyamide-6

    International Nuclear Information System (INIS)

    Evora, Maria C.; Goncalez, Odair L.

    2002-01-01

    A comparative study involving transmission, reflection and photoacoustic FTIR techniques is presented with analysis of polyamide-6. The potential and limitations of these methods are investigated by analyzing structural variations that take place at the surface in the bulk in recycled and irradiated polyamide-6 with a 1.5 MeV electron beam with a 500kGY dose, in the presence of O 2 . FTIR techniques appear to be sensitive in detecting small structural changes that occur in recycled and irradiated polyamide-6. The analysis of samples indicated the formation of OH, HOC=O-, - C=O groups. Also, small structural changes were detected which are characterisitic of NH and CN-C=O groups. Transmission techniques show better the structural changes in the bulk, and microscopy-FTIR appears to be more sensitive in detecting what occurs at the sample surface. (author)

  13. Use of Fourier transformed infrared spectrophotometer (FTIR) for determination of breastmilk output by the deuterium dilution method among Senegalese women

    International Nuclear Information System (INIS)

    Sarr Cisse, Aita; Diaham, Babou; Dossou, Nicole; Guiro, Amadou Tidiane; Wade, Salimata; Bluck, Leslie

    2002-01-01

    Breastmilk output can be estimated from the mother's total body water and water turnover rates after oral administration of deuterium oxide. Usually the deuterium enrichments are determined using a isotope ratio mass spectrometer, which is expensive and requires a specialist for operation and maintenance. Such equipment is dfficult to set up in developing countries. A less expensive method was developed which uses a Fourier transform infrared spectrophotometer (FTIR) for deuterium enrichment analysis. This study evaluated the constraints of using FTIR to study lactating women in Senegal. The deuterium isotope method was found to be adequate for free living subjects and presented few constraints except for the duration of the saliva sampling (14 days). The method offers the opportunity to determine simultaneously breastmilk output, mother's body composition, and breastfeeding practices. Deuterium sample enrichments measured with FTIR were fast and easy, but for spectrum quality some environmental control is required to optimize the results. (Authors)

  14. Sulfato/thiosulfato reducing bacteria characterization by FT-IR spectroscopy: a new approach to biocorrosion control.

    Science.gov (United States)

    Rubio, Celine; Ott, Christelle; Amiel, Caroline; Dupont-Moral, Isabelle; Travert, Josette; Mariey, Laurence

    2006-03-01

    Sulfato and Thiosulfato Reducing Bacteria (SRB, TRB) can induce corrosion process on steel immersed in seawater. This phenomenon, called biocorrosion, costs approximatively 5 billion euros in France each year. We provide the first evidence that Fourier Transformed InfraRed (FTIR) spectroscopy is a competitive technique to evaluate the sulfurogen flora involved in biocorrosion in comparison with time consuming classical identification methods or PCR analyses. A great discrimination was obtained between SRB, TRB and some contamination bacteria known to be present in seawater and seem to be able to reduce sulfate under particular conditions. Moreover, this preliminary study demonstrates that FTIR spectroscopic and genotypic results present a good correlation (these results are confirmed by other data obtained before or later, data not shown here). The advantages gained by FTIR spectroscopy are to give information on strain phenotype and bacterial metabolism which are of great importance in corrosion processes.

  15. Reagent-free determination of amikacin content in amikacin sulfate injections by FTIR derivative spectroscopy in a continuous flow system

    Directory of Open Access Journals (Sweden)

    José F. Ovalles

    2014-04-01

    Full Text Available The quantitative estimation of amikacin (AMK in AMK sulfate injection samples is reported using FTIR-derivative spectrometric method in a continuous flow system. Fourier transform of mid-IR spectra were recorded without any sample pretreatment. A good linear calibration (r>0.999, %RSD<2.0 in the range of 7.7–77.0 mg/mL was found. The results showed a good correlation with the manufacturer's and overall they all fell within acceptable limits of most pharmacopoeial monographs on AMK sulfate. Keywords: Amikacin, FTIR derivative spectrometry, Continuous flow system, Pharmaceutical preparation, Injection, Sulfate

  16. FT-IR study of gamma-radiation induced degradation of polyvinyl alcohol (PVA) and PVA/humic acids blends

    International Nuclear Information System (INIS)

    Ilcin, M.; Hola, O.; Bakajova, B.; Kucerik, J.

    2010-01-01

    Samples of pure polyvinyl alcohol (PVA) and PVA doped with humic acids were exposed to gamma radiation. Gamma rays induced the degradation of the pure polymer. Degradation changes were observed using ATR FT-IR equipment. Dehydration, double bond creation, and their subsequent oxidation (surrounding atmosphere was air) were found out. Also, other degradation reactions (e.g. chain scission, cyclization) occur simultaneously. Formation of C=C and C=O bonds is apparent from FT-IR spectra. In contrast the presence of humic acids in the PVA sample showed stabilizing effect on PVA structure within the concentration range 0.5-10%. (author)

  17. Assessment of the Inhibitory Effect of Rifampicin on Amyloid Formation of Hen Egg White Lysozyme: Thioflavin T Fluorescence Assay versus FTIR Difference Spectroscopy

    Directory of Open Access Journals (Sweden)

    Gang Ma

    2014-01-01

    Full Text Available The inhibitory effect of rifampicin on the amyloid formation of hen egg white lysozyme was assessed with both Thioflavin T (ThT fluorescence assay and Fourier transform infrared (FTIR difference spectroscopy. We reveal that ThT fluorescence assay gives a false positive result due to rifampicin interference, while FTIR difference spectroscopy provides a reliable assessment. With FTIR, we show that rifampicin only has marginally inhibitory effect. We then propose that FTIR difference spectroscopy can potentially be a convenient method for inhibitor screening in amyloid study.

  18. Matrix isolation FT-IR spectroscopy and molecular orbital study of sarcosine methyl ester

    Science.gov (United States)

    Gómez-Zavaglia, A.; Fausto, R.

    2004-02-01

    N-methylglycine methyl ester (sarcosine-Me) has been studied by matrix isolation FT-IR spectroscopy and molecular orbital calculations undertaken at the DFT/B3LYP and MP2 levels of theory with the 6-311++G(d,p) and 6-31++G(d,p) basis set, respectively. Twelve different conformers were located in the potential energy surface of the studied compound, with the ASC conformer being the ground conformational state. This form is analogous to the dimethylglycine methyl ester most stable conformer and is characterized by a NH⋯O intramolecular hydrogen bond; in this form, the ester group assumes the cis configuration and the OC-C-N and Lp-N-C-C (where Lp is the nitrogen lone electron pair) dihedral angles are ca. -17.8 and 171.3°, respectively. The second most stable conformer ( GSC) differs from the ASC conformer essentially in the conformation assumed by the methylamino group, which in this case is gauche ( Lp-N-C-C dihedral angle equal to 79.4°). On the other hand, the third most stable conformer ( AAC) differs from the most stable form in the conformation of the OC-C-N axis (151.4°). These three forms were predicted to differ in energy by less than ca. 5 kJ mol -1 and represent ≈95% of the total conformational population at room temperature. FT-IR spectra were obtained for sarcosine-Me isolated in argon matrices (T=9 K) revealing the presence in the matrices of the three lowest energy conformers predicted by the calculations. The matrices were prepared by deposition of the vapour of the compound using two different nozzle temperatures, 25 and 60 °C. The relative populations of the three conformers trapped in the matrices were found to be consistent with occurrence of conformational cooling during matrix deposition and with a stabilization of the most polar GSC and AAC conformers in the matrices compared to the gas phase. Indeed, like it was previously observed for the methyl ester of dimethylglycine [Phys. Chem. Chem. Phys. 5 (2003) 52] the different

  19. Potential of FTIR spectroscopy for analysis of tears for diagnosis purposes.

    Science.gov (United States)

    Travo, Adrian; Paya, Clément; Déléris, Gérard; Colin, Joseph; Mortemousque, Bruno; Forfar, Isabelle

    2014-04-01

    It has been widely reported that the tear film, which is crucially important as a protective barrier of the eye, undergoes biochemical changes as a result of a wide range of ocular pathology. This tends to suggest the possibility of early detection of ocular diseases on the basis of biochemical analysis of tears. However, studies of tears by conventional methods of biomolecular and biochemical analysis are often limited by methodological difficulties. Moreover, such analysis could not be applied in the clinic, where structural and morphological analyses by, mainly, slit-lamp biomicroscopy remains the recommended method. In this study, we assessed, for the first time, the potential of FTIR spectroscopy combined with advanced chemometric processing of spectral data for analysis of raw tears for diagnosis purposes. We first optimized sampling and spectral acquisition (tears collection method, tear sample volume, and preservation of the samples) for accurate spectral measurement. On the basis of the results, we focused our study on the possibility of discriminating tears from normal individuals from those of patients with different ocular pathologies, and showed that the most discriminating spectral range is that corresponding to variations of CH2 and CH3 of lipid aliphatic chains. We also report more subtle discrimination of tears from patients with keratoconus and those from patients with non-specific inflammatory ocular diseases, on the basis of variations in spectral ranges attributed notably to lipid and carbohydrate vibrations. Finally, we also succeeded in distinguishing tears from patients with early-stage and late-stage keratoconus on the basis of spectral features attributed to protein structure. Therefore, this study strongly suggests that FTIR spectral analysis of tears could be developed as a valuable and cost-saving tool for biochemical-based detection of ocular diseases, potentially before the appearance of the first morphological signs of diseases

  20. [Study on FTIR spectra of finger nails of normal people and patients of esophagus cancer].

    Science.gov (United States)

    Wang, Hong-Yan; Lü, Yin; Wang, Fan; Ma, Xiao-Dong; Jiang, Shi-Ping; Wang, Wei; Li, Cheng-Xiang

    2008-02-01

    To investigate the application of human finger nails in the diagnosis of cancer, Fourier transform infrared (FTIR) spectroscopy was employed to study the finger nails from some normal people and some with esophagus cancer and others with an operation for curing esophagus cancer five months ago. The results showed that there are obvious differences between FTIR spectra in them in spectral parameters such as frequency, intensity and band shape etc. The changes in the phosphate symmetric stretching vibration v(s) (PO2-) and asymmetric stretching vibration v(a)s(PO2-) modes are uniform, the v(s) (PO2-) and v(a)s(PO2-) absorption peaks of cancerous ones shift to high wave number compared with those of normal people, while those with operation shift to low wave number compared with those of cancerous ones. The C-O stretching vibration mode of protein located at 1 164 cm(-1) is composed of three absorption peaks located at 1 173.3, 1 158.0 and 1 151.1 cm(-1) respectively, meanwhile, the intensities and the wave numbers of the three peaks of cancerous ones all increase compared with normal people. The wave numbers of amide I and amide II of cancerous ones are both lower than those of normal people, while those with operation are between the cancerous ones and normal people, which suggest that the contents of protein and alpha-helix in finger nails of normal people, cancerous ones and the ones with operation are discriminative. The peak of bending vibration delta(CH2) mode of CH2 groups of protein lipid of cancerous ones shifts to high wave number slightly and the intensity of the peak weakens compared with that of normal people, which indicate that the methylene chain in the finger nails membrane lipids of cancerous ones is more ordered than that of normal people. Nevertheless, the peak of stretching vibration v(s) (CH2) of cancerous ones is lower than that of normal people, while that of the ones with operation is between cancerous ones and normal ones. As a result, the

  1. Non-isothermal dehydration kinetic study of aspartame hemihydrate using DSC, TGA and DSC-FTIR microspectroscopy

    Directory of Open Access Journals (Sweden)

    Wei-hsien Hsieh

    2018-05-01

    Full Text Available Three thermal analytical techniques such as differential scanning calorimetry (DSC, thermal gravimetric analysis (TGA using five heating rates, and DSC-Fourier Transform Infrared (DSC-FTIR microspectroscopy using one heating rate, were used to determine the thermal characteristics and the dehydration process of aspartame (APM hemihydrate in the solid state. The intramolecular cyclization process of APM anhydrate was also examined. One exothermic and four endothermic peaks were observed in the DSC thermogram of APM hemihydrate, in which the exothermic peak was due to the crystallization of some amorphous APM caused by dehydration process from hemihydrate to anhydride. While four endothermic peaks were corresponded to the evaporation of absorbed water, the dehydration of hemihydrate, the diketopiperazines (DKP formation via intramolecular cyclization, and the melting of DKP, respectively. The weight loss measured in TGA curve of APM hemihydrate was associated with these endothermic peaks in the DSC thermogram. According to the Flynn–Wall–Ozawa (FWO model, the activation energy of dehydration process within 100–150 °C was about 218 ± 11 kJ/mol determined by TGA technique. Both the dehydration and DKP formation processes for solid-state APM hemihydrate were markedly evidenced from the thermal-responsive changes in several specific FTIR bands by a single-step DSC-FTIR microspectroscopy. Keywords: Aspartame (APM hemihydrate, DSC/TGA, DSC-FTIR, Dehydration, Activation energy, DKP formation

  2. ATR-FTIR Spectroscopy Highlights the Problem of Distinguishing Between Exophiala dermatitidis and E. phaeomuriformis Using MALDI-TOF MS

    NARCIS (Netherlands)

    Ergin, C.; Gok, Y.; Baygu, Y.; Gumral, R.; Ozhak-Baysan, B.; Dogen, A.; Ogunc, D.; Ilkit, M.; Seyedmousavi, S.

    2016-01-01

    The present study compared two chemical-based methods, namely, matrix-assisted laser desorption/ionization-time-of-flight mass spectrometry (MALDI-TOF MS) and attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy, to understand the misidentification of Exophiala

  3. Verification of fresh grass feeding, pasture grazing and organic farming by FTIR spectroscopy analysis of bovine milk

    NARCIS (Netherlands)

    Capuano, E.; Rademaker, J.; Bijgaart, van den H.; Ruth, van S.M.

    2014-01-01

    In the present study, a total of 116 tank milk samples were collected from 30 farms located in The Netherlands and analysed by Fourier-transform infrared (FTIR) spectroscopy. Samples were collected in April, May and June 2011 and in February 2012. The samples differed in the time spent by the cows

  4. Sugar and acid content of Citrus prediction modeling using FT-IR fingerprinting in combination with multivariate statistical analysis.

    Science.gov (United States)

    Song, Seung Yeob; Lee, Young Koung; Kim, In-Jung

    2016-01-01

    A high-throughput screening system for Citrus lines were established with higher sugar and acid contents using Fourier transform infrared (FT-IR) spectroscopy in combination with multivariate analysis. FT-IR spectra confirmed typical spectral differences between the frequency regions of 950-1100 cm(-1), 1300-1500 cm(-1), and 1500-1700 cm(-1). Principal component analysis (PCA) and subsequent partial least square-discriminant analysis (PLS-DA) were able to discriminate five Citrus lines into three separate clusters corresponding to their taxonomic relationships. The quantitative predictive modeling of sugar and acid contents from Citrus fruits was established using partial least square regression algorithms from FT-IR spectra. The regression coefficients (R(2)) between predicted values and estimated sugar and acid content values were 0.99. These results demonstrate that by using FT-IR spectra and applying quantitative prediction modeling to Citrus sugar and acid contents, excellent Citrus lines can be early detected with greater accuracy. Copyright © 2015 Elsevier Ltd. All rights reserved.

  5. Coordination of extraframework Li+ cation in the MCM-22 and MCM-36 zeolite: FTIR study of CO adsorbed

    Czech Academy of Sciences Publication Activity Database

    Bulánek, R.; Kolářová, M.; Eliášová, Pavla; Čejka, Jiří

    2013-01-01

    Roč. 19, č. 2 (2013), s. 455-463 ISSN 0929-5607 R&D Projects: GA ČR GBP106/12/G015 Institutional support: RVO:61388955 Keywords : FTIR * CO * adsorption microcalorimetry Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.735, year: 2013

  6. Attenuated Total Reflection Fourier Transform Infrared (ATR-FTIR) in the discrimination of normal and oral cancer blood plasma

    Science.gov (United States)

    Pachaiappan, Rekha; Prakasarao, Aruna; Singaravelu, Ganesan

    2017-02-01

    Oral cancer is the most frequent type of cancer that occurs with 75000 to 80000 new cases reported every year in India. The carcinogens from tobacco and related products are the main cause for the oral cancer. ATR-FTIR method is label free, fast and cost-effective diagnostic method would allow for rapid diagnostic results in earlier stages by the minimal chemical changes occur in the biological metabolites available in the blood plasma. The present study reports the use of ATR-FTIR data with advanced statistical model (LDA-ANN) in the diagnosis of oral cancer from normal with better accuracy. The infrared spectra were acquired on ATR-FTIR Jasco spectrophotometer at 4 cm-1 resolution, 30 scans, in the 1800-900 cm-1 spectral range. Each sample had 5 spectra recorded from each blood plasma sample. The spectral data were routed through the multilayer perception of artificial neural network to evaluate for the statistical efficacy. Among the spectral data it was found that amide II (1486 cm-1) and lipid (1526 cm-1) affords about 90 % in the discrimination between groups using LDA. These preliminary results indicate that ATR-FTIR is useful to differentiate normal subject from oral cancer patients using blood plasma.

  7. Combined FT-IR Spectroscopic and DFT Theoretical Study on Carbon Dioxide Adsorption on the Zeolite H-FER

    Czech Academy of Sciences Publication Activity Database

    Pulido, A.; Delgado, M. R.; Bludský, Ota; Rubeš, Miroslav; Nachtigall, Petr; Areán, C. O.

    2009-01-01

    Roč. 2, č. 11 (2009), s. 1187-1195 ISSN 1754-5692 R&D Projects: GA ČR GA203/09/0143; GA MŠk LC512 Institutional research plan: CEZ:AV0Z40550506 Keywords : DFT * FTIR Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 8.500, year: 2009

  8. Integrating imaging FTIR and secondary ion mass spectrometry for the analysis of embedded paint cross-sections

    DEFF Research Database (Denmark)

    Heeren, Ron M.A.; Boon, Jaap J.; Noble, Petria

    1999-01-01

    Novel chemical imaging techniques provide new insight in the organic chemistry of embedded paint cross-sections. FTIR imaging microscopy delivers a two-dimensional image of the functional group distribution, revealing chemical aspects of the binding medium in each individual paint layer. Secondar...... and identity of various lead soaps and lead hydroxychloride in these inclusions....

  9. TG-FTIR measurement of CO2-H2O co-adsorption for CO2 air capture sorbent screening

    NARCIS (Netherlands)

    Smal, I.M.; Yu, Qian; Veneman, Rens; Fränzel-Luiten, B.; Brilman, Derk Willem Frederik

    2014-01-01

    Capturing atmospheric CO2 using solid sorbents is gaining interest. As ambient air normally contains much more (up to 100 times) water than CO2, a selective sorbent is desirable as co-adsorption will most likely occur. In this study, a convenient method based on an TG-FTIR analysis system is

  10. Evaluation of Turmeric Powder Adulterated with Metanil Yellow Using FT-Raman and FT-IR Spectroscopy

    Directory of Open Access Journals (Sweden)

    Sagar Dhakal

    2016-05-01

    Full Text Available Turmeric powder (Curcuma longa L. is valued both for its medicinal properties and for its popular culinary use, such as being a component in curry powder. Due to its high demand in international trade, turmeric powder has been subject to economically driven, hazardous chemical adulteration. This study utilized Fourier Transform-Raman (FT-Raman and Fourier Transform-Infra Red (FT-IR spectroscopy as separate but complementary methods for detecting metanil yellow adulteration of turmeric powder. Sample mixtures of turmeric powder and metanil yellow were prepared at concentrations of 30%, 25%, 20%, 15%, 10%, 5%, 1%, and 0.01% (w/w. FT-Raman and FT-IR spectra were acquired for these mixture samples as well as for pure samples of turmeric powder and metanil yellow. Spectral analysis showed that the FT-IR method in this study could detect the metanil yellow at the 5% concentration, while the FT-Raman method appeared to be more sensitive and could detect the metanil yellow at the 1% concentration. Relationships between metanil yellow spectral peak intensities and metanil yellow concentration were established using representative peaks at FT-Raman 1406 cm−1 and FT-IR 1140 cm−1 with correlation coefficients of 0.93 and 0.95, respectively.

  11. Field measurements of flue gases from combustion of miscellaneous fuels using a low-resolution FTIR gas analyzer

    International Nuclear Information System (INIS)

    Larjava, K.T.; Tormonen, K.E.; Jaakkola, P.T.; Roos, A.A.

    1997-01-01

    Combustion flue gases of three different industrial boilers firing miscellaneous fuels (peat, wood, and bark, sawdust and biological sludge) were monitored for a two-week period. Nitric oxide (NO), sulfur dioxide (SO 2 ), carbon monoxide (CO), carbon dioxide (CO 2 ), and total hydrocarbons (C x H y ) were continuously measured using single-component gas analyzers in parallel with a low-resolution Fourier Transform Infrared (FTIR) gas analyzer. Hydrogen chloride (HCl) was measured continuously using the FTIR analyzer and semi-continuously using a traditional liquid-absorption technique. Nitrous oxide (N 2 O), nitrogen dioxide (NO 2 ), and water vapor (H 2 O) were continuously measured using the FTIR analyzer only. Laboratory tests were conducted prior to the field measurements to assess the detection limits of the different measurement methods for each gas component. No significant differences were found between the results of the low-resolution FTIR analyzer and the single-component analyzers or the liquid absorption method. 11 refs., 10 figs., 3 tabs

  12. Detection and classification of salmonella serotypes using spectral signatures collected by fourier transform infrared (FT-IR) spectroscopy

    Science.gov (United States)

    Spectral signatures of Salmonella serotypes namely Salmonella Typhimurium, Salmonella Enteritidis, Salmonella Infantis, Salmonella Heidelberg and Salmonella Kentucky were collected using Fourier transform infrared spectroscopy (FT-IR). About 5-10 µL of Salmonella suspensions with concentrations of 1...

  13. Characterization of southern yellow pine bark layers by Attenuated Total Reflectance (ATR) and Fourier Transform Infrared (FT-IR) Spectroscopy

    Science.gov (United States)

    Thomas L. Eberhardt

    2009-01-01

    The outer bark (rhytidome) of the southern yellow pines is a complex structure comprised of alternating layers of obliterated phloem and periderm tissues, with the latter comprised of three layers, those being phellem, phellogen, and phelloderm. An attenuated total reflectance (ATR) sampling accessory, coupled with a Fourier transform infrared (FTIR) spectrometer,...

  14. Using Extractive FTIR to Measure N2O from Medium Heavy Duty Vehicles Powered with Diesel and Biodiesel Fuels

    Science.gov (United States)

    A Fourier Transform Infrared (FTIR) spectrometer was used to measure N2O and other pollutant gases during an evaluation of two medium heavy-duty diesel trucks equipped with a Diesel Particulate Filter (DPF). The emissions of these trucks were characterized under a variety of oper...

  15. FTIR spectroscopy of UF6 clustering in a supersonic Laval nozzle

    International Nuclear Information System (INIS)

    Tanimura, Shinobu; Okada, Yoshiki; Takeuchi, Kazuo

    1996-01-01

    The clustering of UF 6 seeded in Ar was observed in a continuous supersonic Laval nozzle flow. The onset conditions for UF 6 clustering were investigated by measuring the FTIR spectra of UF 6 monomer and clusters in the nozzle. The onset conditions for the clustering, temperature, density of UF 6 (or partial pressure), and cooling rate, were determined. The onset temperature determined here was higher by 40-50 K than that determined by a light-scattering method. The frequency shift of the main peak of the UF 6 clusters from the monomer peak was about -17 cm -1 , which was smaller than the shift of the crystalline UF 6 by about 11 cm -1 . The increase in temperature caused by the heat of condensation and the change of the spectra of UF 6 clusters with the growth after the onset were also observed. It was shown that the clustering rate due to the collision between the monomer and cluster is much higher than that due to the collision between the monomers. 19 refs., 9 figs

  16. Computer analysis of ATR-FTIR spectra of paint samples for forensic purposes

    Science.gov (United States)

    Szafarska, Małgorzata; Woźniakiewicz, Michał; Pilch, Mariusz; Zięba-Palus, Janina; Kościelniak, Paweł

    2009-04-01

    A method of subtraction and normalization of IR spectra (MSN-IR) was developed and successfully applied to extract mathematically the pure paint spectrum from the spectrum of paint coat on different bases, both acquired by the Attenuated Total Reflectance Fourier Transform Infrared (ATR-FTIR) technique. The method consists of several stages encompassing several normalization and subtraction processes. The similarity of the spectrum obtained with the reference spectrum was estimated by means of the normalized Manhattan distance. The utility and performance of the method proposed were tested by examination of five different paints sprayed on plastic (polyester) foil and on fabric materials (cotton). It was found that the numerical algorithm applied is able - in contrast to other mathematical approaches conventionally used for the same aim - to reconstruct a pure paint IR spectrum effectively without a loss of chemical information provided. The approach allows the physical separation of a paint from a base to be avoided, hence a time and work-load of analysis to be considerably reduced. The results obtained prove that the method can be considered as a useful tool which can be applied to forensic purposes.

  17. Qualitative and kinetic analysis of torrefaction of lignocellulosic biomass using DSC-TGA-FTIR

    Directory of Open Access Journals (Sweden)

    Bimal Acharya

    2015-11-01

    Full Text Available Torrefaction is a thermochemical conversion technique to improve the fuel properties of lignocellulosic biomass by treating at temperature 200 ℃-300 ℃ in the minimum oxygen environment for a reasonable residence time. In this study, thermal decomposition and thermal activities of miscanthus and wheat straw during the torrefaction at 200 ℃, 275 ℃, and 300 ℃ in a nitrogen environment for 45 minutes of residence time are analyzed in a simultaneous thermogravimetric analyzer (micro TGA with a differential scanning calorimetry (DSC, and a macro-TGA. The output of the micro TGA is fed into the Fourier transform infrared spectrometry (FTIR and qualitative analysis of the gaseous product is carried out. The composition of different gas products during the torrefaction of biomass are compared critically and kinetics were analyzed. It is found that the weight loss due to degradation of initial biomass in second stage (torrefaction process is a much faster conversion process than the weight loss process in the first stage (drying process. The weight loss of biomass increases with increase in the residence time and torrefaction treatment temperatures. The yield after torrefaction is a solid bio-coal product. The torrefied product were less reactive and has nearly 25% better heating value than the raw biomass. Between the two feedstocks studied, torrefied miscanthus proved to be a more stable fuel than the torrefied wheat straw. The major gaseous components observed during torrefaction are water, carbon dioxide, carbon monoxide, 1,2-Dibromethylene.

  18. [Study on Archaeological Lime Powders from Taosi and Yinxu Sites by FTIR].

    Science.gov (United States)

    Wei, Guo-feng; Zhang, Chen; Chen, Guo-liang; He, Yu-ling; Gao, Jiang-tao; Zhang, Bing-jian

    2015-03-01

    Archaeological lime powders samples from Taosi and Yinxu sites, natural limestone and experimentally prepared lime mortar were investigated by means of Fourier transform infrared spectrometry (FTIR) to identify the raw material of lime powders from Taosi and Yinxu sites. Results show that ν2/ν4 ratio of calcite resulted from carbonation reaction of man-made lime is around 6.31, which is higher than that of calcite in natural limestone and reflects the difference in the disorder of calcite crystal structure among the natural limestone and prepared lime mortar. With additional grinding, the values of v2 and ν4 in natural limestone and prepared lime mortar decrease. Meanwhile, the trend lines of ν2 versus ν4 for calcite in experimentally prepared lime mortar have a steeper slope when compared to calcite in natural limestone. These imply that ν2/ν4 ratio and the slope of the trend lines of ν2 versus ν4 can be used to determine the archaeological man-made lime. Based on the experiment results, it is possible that the archaeological lime powder from Taosi and Yinxu sites was prepared using man-made lime and the ancient Chinese have mastered the calcining technology of man-made lime in the late Neolithic period about 4 300 years ago.

  19. Matrix-isolation FT-IR spectra and theoretical study of dimethyl sulfate

    Science.gov (United States)

    Borba, Ana; Gómez-Zavaglia, Andrea; Simões, Pedro N. N. L.; Fausto, Rui

    2005-05-01

    The preferred conformations of dimethyl sulfate and their vibrational spectra were studied by matrix-isolation FT-IR spectroscopy and theoretical methods (DFT and MP2, with basis sets of different sizes, including the quadruple-zeta, aug-cc-pVQZ basis). Conformer GG (of C 2 symmetry and exhibiting O sbnd S sbnd O sbnd C dihedral angles of 74.3°) was found to be the most stable conformer in both the gaseous phase and isolated in argon. Upon annealing of the matrix, the less stable observed conformer (GT; with C 1 symmetry) quickly converts to the GG conformer, with the resulting species being embedded in a matrix-cage which corresponds to the most stable matrix-site for GG form. The highest energy TT conformer, which was assumed to be the most stable conformer in previous studies, is predicted by the calculations to have a relative energy of ca. 10 kJ mol -1 and was not observed in the spectra of the matrix-isolated compound.

  20. Influence of DMPS on the water retention capacity of electroporated stratum corneum: ATR-FTIR study.

    Science.gov (United States)

    Sckolnick, Maria; Hui, Sek-Wen; Sen, Arindam

    2008-02-28

    Anionic lipids like phosphatidylserine are known to significantly enhance electroporation mediated transepidermal transport of polar solutes of molecular weights up to 10kDa. The underlying mechanism of the effect of anionic lipids on transdermal transport is not fully understood. The main barrier to transdermal transport lies within the intercellular lipid matrix (ILM) of the stratum corneum (SC) and our previous studies indicate that dimyristoyl phosphatidylserine (DMPS) can perturb the packing of this lipid matrix. Here we report on our investigation on water retention in the SC following electroporation in the presence and the absence of DMPS. The water content in the outer most layers of the SC of full thickness porcine skin was determined using ATR-FTIR-spectroscopy. The results show that in the presence of DMPS, the SC remains in a state of enhanced hydration for longer periods after electroporation. This increase in water retention in the SC by DMPS is likely to play an important role in trans-epidermal transport, since improved hydration of the skin barrier can be expected to increase the partitioning of polar solutes and possibly the permeability.

  1. Global carbon monoxide vertical distributions from spaceborne high-resolution FTIR nadir measurements

    Directory of Open Access Journals (Sweden)

    B. Barret

    2005-01-01

    Full Text Available This paper presents the first global distributions of CO vertical profiles retrieved from a thermal infrared FTS working in the nadir geometry. It is based on the exploitation of the high resolution and high quality spectra measured by the Interferometric Monitor of Greenhouse gases (IMG which flew onboard the Japanese ADEOS platform in 1996-1997. The retrievals are performed with an algorithm based on the Optimal Estimation Method (OEM and are characterized in terms of vertical sensitivity and error budget. It is found that most of the IMG measurements contain between 1.5 and 2.2 independent pieces of information about the vertical distribution of CO from the lower troposphere to the upper troposphere-lower stratosphere (UTLS. The retrievals are validated against coincident NOAA/CMDL in situ surface measurements and NDSC/FTIR total columns measurements. The retrieved global distributions of CO are also found to be in good agreement with the distributions modeled by the GEOS-CHEM 3D CTM, highlighting the ability of IMG to capture the horizontal as well as the vertical structure of the CO distributions.

  2. FTIR spectroscopy structural analysis of the interaction between Lactobacillus kefir S-layers and metal ions

    Science.gov (United States)

    Gerbino, E.; Mobili, P.; Tymczyszyn, E.; Fausto, R.; Gómez-Zavaglia, A.

    2011-02-01

    FTIR spectroscopy was used to structurally characterize the interaction of S-layer proteins extracted from two strains of Lactobacillus kefir (the aggregating CIDCA 8348 and the non-aggregating JCM 5818) with metal ions (Cd +2, Zn +2, Pb +2 and Ni +2). The infrared spectra indicate that the metal/protein interaction occurs mainly through the carboxylate groups of the side chains of Asp and Glut residues, with some contribution of the NH groups belonging to the peptide backbone. The frequency separation between the νCOO - anti-symmetric and symmetric stretching vibrations in the spectra of the S-layers in presence of the metal ions was found to be ca. 190 cm -1 for S-layer CIDCA 8348 and ca. 170 cm -1 for JCM 5818, denoting an unidentate coordination in both cases. Changes in the secondary structures of the S-layers induced by the interaction with the metal ions were also noticed: a general trend to increase the amount of β-sheet structures and to reduce the amount of α-helices was observed. These changes allow the proteins to adjust their structure to the presence of the metal ions at minimum energy expense, and accordingly, these adjustments were found to be more important for the bigger ions.

  3. FTIR spectroscopy in medical mycology: applications to the differentiation and typing of Candida.

    Science.gov (United States)

    Toubas, Dominique; Essendoubi, Mohammed; Adt, Isabelle; Pinon, Jean-Michel; Manfait, Michel; Sockalingum, Ganesh D

    2007-03-01

    The incidence of fungal infections, in particular candidiasis and aspergillosis, has considerably increased during the last three decades. This is mainly due to advances in medical treatments and technologies. In high risk patients (e.g. in haematology or intensive care), the prognosis of invasive candidiasis is relatively poor. Therefore, a rapid and correct identification of the infectious agent is important for an efficient and prompt therapy. Most clinical laboratories rely on conventional identification methods that are based on morphological, physiological and nutritional characteristics. However, these have their limitations because they are time-consuming and not always very accurate. Moreover, molecular methods may be required to determine the genetic relationship between the infectious strains, for instance in Candida outbreaks. In addition, the latter methods require time, expensive consumables and highly trained staff to be performed adequately. In this study, we have applied the FTIR spectroscopic approach to different situations encountered in routine mycological diagnosis. We show the potentials of this phenotypic approach, used in parallel with routine identification methods, for the differentiation of 3 frequently encountered Candida species (C. albicans, C. glabrata and C. krusei) by using both suspensions and microcolonies. This approach, developed for an early discrimination, may help in the initial choice of antifungal treatment. Furthermore, we demonstrate the feasibility of the method for intraspecies comparison (typing) of 3 Candida species (C. albicans, C. glabrata and C. parapsilosis), particularly when an outbreak is suspected.

  4. A new fully automated FTIR system for total column measurements of greenhouse gases

    Directory of Open Access Journals (Sweden)

    M. C. Geibel

    2010-10-01

    Full Text Available This article introduces a new fully automated FTIR system that is part of the Total Carbon Column Observing Network (TCCON. It will provide continuous ground-based measurements of column-averaged volume mixing ratio for CO2, CH4 and several other greenhouse gases in the tropics.

    Housed in a 20-foot shipping container it was developed as a transportable system that could be deployed almost anywhere in the world. We describe the automation concept which relies on three autonomous subsystems and their interaction. Crucial components like a sturdy and reliable solar tracker dome are described in detail. The automation software employs a new approach relying on multiple processes, database logging and web-based remote control.

    First results of total column measurements at Jena, Germany show that the instrument works well and can provide parts of the diurnal as well as seasonal cycle for CO2. Instrument line shape measurements with an HCl cell suggest that the instrument stays well-aligned over several months.

    After a short test campaign for side by side intercomaprison with an existing TCCON instrument in Australia, the system will be transported to its final destination Ascension Island.

  5. The FTIR study of uranium oxides by the method of light pipe reflection spectroscopy

    International Nuclear Information System (INIS)

    Bao Zhu Yu; Hansen, W.N.

    1988-01-01

    Light pipe infrared reflection spectra of UO 2 , UO 3 , U 3 O 8 have been studied by using an FTIR spectrometer. The uranium oxide powders were ground to ensure fine particle size and distributed on the inner surface of a straight glass pipe with gold coating. The infrared beam from the inter-ferometer was focused into one end of the pipe at 45 0 incidence and then the transmitted beam was refocused by a pair of Cassegrainian type mirrors. The resultant spectra show the infrared characteristics of the ...-U-O-U-O-..., uranyl ion UO 2 2+ bond vibration and the active lattice vibrations predicted by group theory calculations. In comparison to the transmission spectra measured by authors or reported in literature, this 45 0 incident light pipe method as well as the previous light pipe method offer advantages of sensitivity, ease of acquisition and interpretation, and require a very small sample. It confirms the power of the light pipe method for studying powders and its special utility for the infrared studies of hazardous materials. (Author)

  6. FTIR spectra and mechanical strength analysis of some selected rubber derivatives

    Science.gov (United States)

    Gunasekaran, S.; Natarajan, R. K.; Kala, A.

    2007-10-01

    Rubber materials have wide range of commercial applications such as, infant diapers, famine hygiene products, drug delivery devices and incontinency products such as rubber tubes, tyres, etc. In the present work, studies on mechanical properties of some selected rubber materials viz., natural rubber (NR), styrene butadiene rubber (SBR), nitrile butadiene rubber (NBR) and ethylene propylene diene monomer (EPDM) have been carried out in three states viz., raw, vulcanized and reinforced. To enhance the quality of rubber elastomers, an attempt is made to prepare new elastomers called polyblends. In the present study an attempt is made to blend NR with NBR and with EPDM. We here report, a novel approach for the evaluation of various physico-mechanical properties such as mechanical strength, tensile strength, elongation and hardness. The method is simple, direct and fast and involves infrared spectral measurements for the evaluation of these properties. With the applications of modern infrared spectroscopy, the mechanical strength of these rubber materials have been analyzed by calculating the internal standards among the methyl and methylene group vibrational frequencies obtained from FTIR spectroscopy. Also the tensile strength measurements carried out by universal testing machine. The results pertaining physico-mechanical properties of the rubber derivatives undertaken in the present study obtained by IR-based method are in good agreement with data resulted from the standard methods.

  7. Morphological, chemical and structural characterisation of deciduous enamel: SEM, EDS, XRD, FTIR and XPS analysis.

    Science.gov (United States)

    Zamudio-Ortega, C M; Contreras-Bulnes, R; Scougall-Vilchis, R J; Morales-Luckie, R A; Olea-Mejía, O F; Rodríguez-Vilchis, L E

    2014-09-01

    The purpose of this study was to characterise the enamel surface of sound deciduous teeth in terms of morphology, chemical composition, structure and crystalline phases. The enamel of 30 human deciduous teeth was examined by: Scanning Electron Microscopy (SEM), Energy Dispersive X-Ray Spectroscopy (EDS), X-ray Powder Diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR), and X-ray Photoelectron Spectroscopy (XPS). Chemical differences between incisors and canines were statistically evaluated using the Mann-Whitney U test (p ≤ 0.05). Three enamel patterns were observed by SEM: 'mostly smooth with some groves', 'abundant microporosities' and 'exposed prisms'. The average Ca/P molar ratios were 1.37 and 1.03 by EDS and XPS, respectively. The crystallite size determined by XRD was 210.82 ± 16.78 Å. The mean ratio between Ca bonded to phosphate and Ca bonded to hydroxyl was approximately 10:1. The enamel of sound deciduous teeth showed two main patterns: 'mostly smooth with some groves' and 'abundant microporosities'. 'Exposed prisms' was a secondary pattern. There were slight variations among the Ca/P molar ratios found by EDS and XPS, suggesting differences in the mineral content from the enamel surface to the interior. The crystalline phases found in enamel were hydroxyapatite and carbonate apatite, with major type B than type A carbonate incorporation.

  8. FTIR spectroscopy and thermodynamics of hydrogen adsorbed in a cross-linked polymer.

    Science.gov (United States)

    Spoto, Giuseppe; Vitillo, Jenny G; Cocina, Donato; Damin, Alessandro; Bonino, Francesca; Zecchina, Adriano

    2007-09-28

    The adsorption of H(2) in a cross-linked poly(styrene-co-divinylbenzene) (St-DVB) microporous polymer (BET surface area 920 m(2) g(-1)) is studied by volumetric and gravimetric methods, FTIR spectroscopy at variable temperature (300-14 K) and ab initio calculations. At 77 K the polymer reversibly stores up to 1.3 mass% H(2) at a pressure of 1 bar and 1.8 mass% at 10 bar. The adsorption process involves the specific interaction of H(2) with the structural phenyl rings through weak dispersive forces. The interacting molecules become IR active and give rise to vibrational and rotational-vibrational manifestations which are affected by the temperature, the contact time and the H(2) equilibrium pressure. The spectra of the H(2)/St-DVB system reported here represent the first IR evidence of the adsorption of hydrogen on unsaturated molecules. The adsorption enthalpy is evaluated by the VTIR (variable temperature IR spectroscopy) method (C. Otero Areán et al., Phys. Chem. Chem. Phys., 2007, DOI: 10.1039/b615535a) and compared with the results of ab initio calculations for the H(2)/benzene interaction and with literature data.

  9. The degradation potential of PET bottles in the marine environment: An ATR-FTIR based approach

    Science.gov (United States)

    Ioakeimidis, C.; Fotopoulou, K. N.; Karapanagioti, H. K.; Geraga, M.; Zeri, C.; Papathanassiou, E.; Galgani, F.; Papatheodorou, G.

    2016-03-01

    The dominance and persistence of plastic debris in the marine environment are well documented. No information exists in respect to their lifespan in the marine environment. Nevertheless, the degradation potential of plastic litter items remains a critical issue for marine litter research. In the present study, polyethylene terephthalate bottles (PETs) collected from the submarine environment were characterized using ATR-FTIR in respect to their degradation potential attributed to environmental conditions. A temporal indication was used as indicative to the years of presence of the PETs in the environment as debris. PETs seem to remain robust for approximately fifteen years. Afterwards, a significant decrease of the native functional groups was recorded; some even disappear; or new-not typical for PETs-are created. At a later stage, using the PET time series collected from the Saronikos Gulf (Aegean Sea-E. Mediterranean), it was possible to date bottles that were collected from the bottom of the Ionian Sea (W. Greece). It is the first time that such a study has been conducted with samples that were actually degraded in the marine environment.

  10. Atmospheric carbonyl sulfide (OCS measured remotely by FTIR solar absorption spectrometry

    Directory of Open Access Journals (Sweden)

    G. C. Toon

    2018-02-01

    Full Text Available Atmospheric OCS abundances have been retrieved from infrared spectra measured by the Jet Propulsion Laboratory (JPL MkIV Fourier transform infra-red (FTIR spectrometer during 24 balloon flights and during nearly 1100 days of ground-based observations since 1985. Our spectral fitting approach uses broad windows to enhance the precision and robustness of the retrievals. Since OCS has a vertical profile similar in shape to that of N2O, and since tropospheric N2O is very stable, we reference the OCS observations to those of N2O, measured simultaneously in the same air mass, to remove the effects of stratospheric transport, allowing a clearer assessment of secular changes in OCS. Balloon measurements reveal less than 5 % change in stratospheric OCS amounts over the past 25 years. Ground-based measurements reveal a springtime peak of tropospheric OCS, followed by a rapid early-summer decrease, similar to the behavior of CO2. This results in a peak-to-peak seasonal cycle of 5–6 % of the total OCS column at northern mid-latitudes. In the long-term tropospheric OCS record, a 5 % decrease is seen from 1990 to 2002, followed by a 5 % increase from 2003 to 2012.

  11. FT-IR, NMR spectroscopic and quantum mechanical investigations of two ferrocene derivatives

    Directory of Open Access Journals (Sweden)

    Ö. Alver

    2017-07-01

    Full Text Available New ferrocene derivatives as N-(3-piperidin-1-ylpropylferrocenamide (Fc-3ppa and N-(pyridine-3-ylmethylferrocenamide (Fc-3pica and structural investigations were carried out with 1H, 13C, DEPT 45 or 135, HETCOR, COSY NMR and FT-IR spectroscopic techniques. Characterization of Fc-3ppa (FeC19H26N2O and Fc-3pica (FeC17H16N2O was also supported by density functional theory (DFT used by B3LYP functional and 6-31G(d or 6-311++G(d,p basis sets. From the combination of all the results, it can be clearly seen that syntheses of Fc-3ppa and Fc-3pica have been successfully achieved. Theoretical values are successfully compared against experimental data and B3LYP method is able to provide satisfactory results for predicting NMR properties and vibrational frequencies of the synthesized ferrocene based systems.

  12. FTIR fiber optic methods for the analysis of Hanford Site waste

    International Nuclear Information System (INIS)

    Rebagay, T.V.; Cash, R.J.; Dodd, D.A.

    1995-06-01

    Sampling and chemical characterization of mixed high-level waste stored in underground tanks at the Hanford Site is currently in progress. Waste tank safety concerns have provided impetus to analyze this waste. A major safety issue is the possibility of significant concentrations of fuel (ferrocyanide and/or organic compounds) in contact with oxidizers (nitrates and nitrites). It is postulated that under dry conditions and elevated temperatures, ferrocyanide- and/or organic-bearing wastes could undergo rapid exothermic reactions. To maintain the tanks in a safe condition, data are needed on the moisture and fuel concentrations in the waste. Because of the highly radioactive nature of the waste, non-radioactive waste simulants mimicking actual waste are used to provide an initial basis for identifying realistic waste tank safety concerns. Emphasis has been placed on the use of new or existing Fourier transform infrared (FTIR)-based systems with potential for field or tank deployment to perform in situ remote waste characterization. Near-infrared diffuse reflectance and mid-infrared attenuated total reflectance fiber optic probes coupled to a Bio-Rad FTS 60A spectrometry system have been evaluated. The near-infrared diffuse reflectance fiber probe system has also been used for preliminary screening of the moisture content and chemical composition of actual Hanford Site waste tank waste core samples. The attributes of this method for analyzing actual radioactive waste are discussed

  13. A study of equilibrium and FTIR, SEM/EDS analysis of trimethoprim adsorption onto K10

    Science.gov (United States)

    Bekçi, Zehra; Seki, Yoldaş; Kadir Yurdakoç, M.

    2007-02-01

    The sorption behavior of K10, a type of montmorillonite for trimethoprim (TMP) drug, was studied by using batch technique under different pH and temperature. The interaction between K10 and TMP was investigated using SEM, and FTIR. It was observed that adsorption was increased between pH 2.5 and 6.3. By performing kinetic experiments, the pseudo-second-order kinetic model provides the best fit for TMP adsorption onto K10 montmorillonite. The sorption of TMP reached the equilibrium state after 6 h sorption time and has been described by using Langmuir, Freundlich and Dubinin-Radushkevich equations to obtain adsorption capacity values. The results indicate that the relative adsorption capacity values ( Kf) are decreasing with the increase of temperature in the range of 298-318 K. The sorption energy values obtained from DR isotherm show that sorption of TMP onto K10 can be explained by ion exchange mechanism at 298, 308 and 318 K. The thermodynamic studies were conducted to find the thermodynamic parameters Δ H°, Δ S° and Δ G°. It was determined that adsorption process is spontaneous and exothermic in nature.

  14. FT-IR studies on interactions among components in hexanoyl chitosan-based polymer electrolytes

    Science.gov (United States)

    Winie, Tan; Arof, A. K.

    2006-03-01

    Fourier transform infrared (FT-IR) spectroscopic studies have been undertaken to investigate the interactions among components in a system of hexanoyl chitosan-lithium trifluoromethanesulfonate (LiCF 3SO 3)-diethyl carbonate (DEC)/ethylene carbonate (EC). LiCF 3SO 3 interacts with the hexanoyl chitosan to form a hexanoyl chitosan-salt complex that results in the shifting of the N(COR) 2, C dbnd O sbnd NHR and OCOR bands to lower wavenumbers. Interactions between EC and DEC with LiCF 3SO 3 has been noted and discussed. Evidence of interaction between EC and DEC has been obtained experimentally. Studies on polymer-plasticizer spectra suggested that there is no interaction between the polymer host and plasticizers. Competition between plasticizer and polymer on associating with Li + ions was observed from the spectral data for gel polymer electrolytes. The obtained spectroscopic data has been correlated with the conductivity performance of hexanoyl chitosan-based polymer electrolytes.

  15. An in-situ FTIR study of the side-chain alkylation of toluene with methanol

    International Nuclear Information System (INIS)

    King, S.T.; Garces, J.

    1985-01-01

    The side-chain alkylation of toluene with methanol to styrene and ethylbenzene can be an economically attractive industrial process if it has high enough conversion and selectivity. This process has been investigated by many others using zeolites or metal oxides as the catalyst. It has been generally accepted that high basicity in certain size pores in the catalyst is required for such side-chain alkylation. However, the actual reaction mechanism is still not understood. In this paper the results of an in-situ FT-IR study of the side-chain alkylation in Li, Na, K, Rb and Cs exchanged X zeolites is discussed. It was found that the KX, RbX and CsX zeolites, which are capable of side-chain alkylation, also form surface formate and a surface precursor of formate from methanol decomposition. While the surface formate itself is not the alkylation agent, the observed formate precursor may be the intermediate for side-chain alkylation

  16. Synthesis, FTIR, FT-Raman, UV-visible, ab initio and DFT studies on benzohydrazide.

    Science.gov (United States)

    Arjunan, V; Rani, T; Mythili, C V; Mohan, S

    2011-08-01

    A systematic vibrational spectroscopic assignment and analysis of benzohydrazide (BH) has been carried out by using FTIR and FT-Raman spectral data. The vibrational analysis were aided by electronic structure calculations--ab initio (RHF) and hybrid density functional methods (B3LYP and B3PW91) performed with 6-31G(d,p) and 6-311++G(d,p) basis sets. Molecular equilibrium geometries, electronic energies, IR intensities, harmonic vibrational frequencies, depolarization ratios and Raman activities have been computed. Potential energy distribution (PED) and normal mode analysis have also been performed. The assignments proposed based on the experimental IR and Raman spectra have been reviewed and complete assignment of the observed spectra have been proposed. UV-visible spectrum of the compound was also recorded and the electronic properties, such as HOMO and LUMO energies and λ(max) were determined by time-dependent DFT (TD-DFT) method. The geometrical, thermodynamical parameters and absorption wavelengths were compared with the experimental data. The interactions of carbonyl and hydrazide groups on the benzene ring skeletal modes were investigated. Copyright © 2011 Elsevier B.V. All rights reserved.

  17. In Vitro Antimicrobial Bioassays, DPPH Radical Scavenging Activity, and FTIR Spectroscopy Analysis of Heliotropium bacciferum.

    Science.gov (United States)

    Ahmad, Sohail; AbdEl-Salam, Naser M; Ullah, Riaz

    2016-01-01

    The present study deals with the antimicrobial, antioxidant, and functional group analysis of Heliotropium bacciferum extracts. Disc diffusion susceptibility method was followed for antimicrobial assessment. Noteworthy antimicrobial activities were recorded by various plant extracts against antibiotic resistant microorganisms. Plant flower extracts antioxidant activity was investigated against 2, 2-diphenyl-1-picryl hydrazyl radical by ultraviolet spectrophotometer (517 nm). Plant extracts displayed noteworthy radical scavenging activities at all concentrations (25-225 μg/mL). Notable activities were recorded by crude, chloroform and ethyl acetate extracts up to 88.27% at 225 μg/mL concentration. Compounds functional groups were examined by Fourier transform infrared spectroscopic studies. Alkanes, alkenes, alkyl halides, amines, carboxylic acids, amides, esters, alcohols, phenols, nitrocompounds, and aromatic compounds were identified by FTIR analysis. Thin layer chromatography bioautography was carried out for all plant extracts. Different bands were separated by various solvent systems. The results of the current study justify the use of Heliotropium bacciferum in traditional remedial herbal medicines.

  18. In Vitro Antimicrobial Bioassays, DPPH Radical Scavenging Activity, and FTIR Spectroscopy Analysis of Heliotropium bacciferum

    Directory of Open Access Journals (Sweden)

    Sohail Ahmad

    2016-01-01

    Full Text Available The present study deals with the antimicrobial, antioxidant, and functional group analysis of Heliotropium bacciferum extracts. Disc diffusion susceptibility method was followed for antimicrobial assessment. Noteworthy antimicrobial activities were recorded by various plant extracts against antibiotic resistant microorganisms. Plant flower extracts antioxidant activity was investigated against 2, 2-diphenyl-1-picryl hydrazyl radical by ultraviolet spectrophotometer (517 nm. Plant extracts displayed noteworthy radical scavenging activities at all concentrations (25–225 μg/mL. Notable activities were recorded by crude, chloroform and ethyl acetate extracts up to 88.27% at 225 μg/mL concentration. Compounds functional groups were examined by Fourier transform infrared spectroscopic studies. Alkanes, alkenes, alkyl halides, amines, carboxylic acids, amides, esters, alcohols, phenols, nitrocompounds, and aromatic compounds were identified by FTIR analysis. Thin layer chromatography bioautography was carried out for all plant extracts. Different bands were separated by various solvent systems. The results of the current study justify the use of Heliotropium bacciferum in traditional remedial herbal medicines.

  19. Intramolecular hydrogen bonding in N-salicylideneaniline: FT-IR spectrum and quantum chemical calculations

    Science.gov (United States)

    Moosavi-Tekyeh, Zainab; Dastani, Najmeh

    2015-12-01

    FT-IR and FT-Raman spectra of N-salicylideneaniline (SAn) and its deuterated analogue (D-SAn) are recorded, and the theoretical calculations are performed on their molecular structures and vibrational frequencies. The same calculations are performed for SAn in different solutions using the polarizable conductor continuum model (CPCM) method. Comparisons between the spectra obtained and the corresponding theoretical calculations are used to assign the vibrational frequencies for these compounds. The spectral behavior of SAn upon deuteration is also used to distinguish the positions of OH vibrational frequencies. The hydrogen bond strength of SAn is investigated by applying the atoms-in-molecules (AIM) theory, natural bond orbital (NBO) analysis, and geometry calculations. The harmonic vibrational frequencies of SAn are calculated at B3LYP and X3LYP levels of theory using 6-31G*, 6-311G**, and 6-311++G** basis sets. The AIM results support a medium hydrogen bonding in SAn. The observed νOH/νOD and γOH/γOD for SAn appear at 2940/2122 and 830/589 cm-1, respectively.

  20. Investigation of carriers of lustrous carbon at high temperatures by infrared spectroscopy (FTIR

    Directory of Open Access Journals (Sweden)

    S. Eichholz

    2010-10-01

    Full Text Available Lustrous carbon is very important in processes of iron casting in green sand. Lustrous carbon (pirografit is a microcrystalline carbon form, which evolves from a gaseous phase. In the case of applying additions, generating lustrous carbon, for sands with bentonite, there is always a danger of emitting – due to a high temperature of liquid cast iron and a humidity - compounds hazardous for a human health. There can be: CO, SO2, benzene, toluene, ethylbenzene, xylene (the so-called: BTEX as well as polycyclic aromatic hydrocarbons(PAHs. In order to asses the selected mixtures: bentonite – carrier of lustrous carbon, in which a coal dust fraction was limited, thethermogravimetric analysis and the analysis of evolving gases were performed. Examinations were carried out in the ApplictaionsLaboratory NITZSCH-Gerätebau GmbH ,Selb/Bavaria, Germany. The NETZSCH TG 209 F1 Iris® thermal analyzer coupled to the BRUKER Optics FTIR TENSOR(TM was used to measure.