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Sample records for vnir reflectance spectroscopy

  1. Soil profile property estimation with field and laboratory VNIR spectroscopy

    Science.gov (United States)

    Diffuse reflectance spectroscopy (DRS) soil sensors have the potential to provide rapid, high-resolution estimation of multiple soil properties. Although many studies have focused on laboratory-based visible and near-infrared (VNIR) spectroscopy of dried soil samples, previous work has demonstrated ...

  2. Estimation of soil profile properties using field and laboratory VNIR spectroscopy

    Science.gov (United States)

    Diffuse reflectance spectroscopy (DRS) soil sensors have the potential to provide rapid, high-resolution estimation of multiple soil properties. Although many studies have focused on laboratory-based visible and near-infrared (VNIR) spectroscopy of dried soil samples, previous work has demonstrated ...

  3. Strategies for soil quality assessment using VNIR gyperspectral spectroscopy in a western Kenya Chronosequence

    Science.gov (United States)

    Kinoshita, Rintaro; Moebius-Clune, Bianca N.; van Es, Harold M.; Hively, W. Dean; Bilgilis, A. Volkan

    2012-01-01

    Visible and near-infrared reflectance spectroscopy (VNIRS) is a rapid and nondestructive method that can predict multiple soil properties simultaneously, but its application in multidimensional soil quality (SQ) assessment in the tropics still needs to be further assessed. In this study, VNIRS (350–2500 nm) was employed to analyze 227 air-dried soil samples of Ultisols from a soil chronosequence in western Kenya and assess 16 SQ indicators. Partial least squares regression (PLSR) was validated using the full-site cross-validation method by grouping samples from each farm or forest site. Most suitable models successfully predicted SQ indicators (R2 ≥ 0.80; ratio of performance to deviation [RPD] ≥ 2.00) including soil organic matter (OMLOI), active C, Ca, cation exchange capacity (CEC), and clay. Moderately-well predicted indicators (0.50 ≤ R2 pwp), and field capacity (Θfc). Poorly predicted indicators (R2 < 0.50; RPD < 1.40) were EC, S, P, available water capacity (AWC), K, Zn, and penetration resistance. Combining VNIRS with selected field- and laboratory-measured SQ indicator values increased predictability. Furthermore, VNIRS showed moderate to substantial agreement in predicting interpretive SQ scores and a composite soil quality index (CSQI) especially when combined with directly measured SQ indicator values. In conclusion, VNIRS has good potential for low cost, rapid assessment of physical and biological SQ indicators but conventional soil chemical tests may need to be retained to provide comprehensive SQ assessments.

  4. ASTER L2 Surface Reflectance SWIR and ASTER L2 Surface Reflectance VNIR V003

    Data.gov (United States)

    National Aeronautics and Space Administration — The ASTER L2 Surface Reflectance is a multi-file product that contains atmospherically corrected data for both the Visible Near-Infrared (VNIR) and Shortwave...

  5. Cropland Field Monitoring: MMV Page 1 Montana Cropland Enrolled Farm Fields Carbon Sequestration Field Sampling, Measurement, Monitoring, and Verification: Application of Visible-Near Infrared Diffuse Reflectance Spectroscopy (VNIR) and Laser-induced Breakdown Spectroscopy (LIBS)

    Energy Technology Data Exchange (ETDEWEB)

    Lee Spangler; Ross Bricklemyer; David Brown

    2012-03-15

    There is growing need for rapid, accurate, and inexpensive methods to measure, and verify soil organic carbon (SOC) change for national greenhouse gas accounting and the development of a soil carbon trading market. Laboratory based soil characterization typically requires significant soil processing, which is time and resource intensive. This severely limits application for large-region soil characterization. Thus, development of rapid and accurate methods for characterizing soils are needed to map soil properties for precision agriculture applications, improve regional and global soil carbon (C) stock and flux estimates and efficiently map sub-surface metal contamination, among others. The greatest gains for efficient soil characterization will come from collecting soil data in situ, thus minimizing soil sample transportation, processing, and lab-based measurement costs. Visible and near-infrared diffuse reflectance spectroscopy (VisNIR) and laser-induced breakdown spectroscopy (LIBS) are two complementary, yet fundamentally different spectroscopic techniques that have the potential to meet this need. These sensors have the potential to be mounted on a soil penetrometer and deployed for rapid soil profile characterization at field and landscape scales. Details of sensor interaction, efficient data management, and appropriate statistical analysis techniques for model calibrations are first needed. In situ or on-the-go VisNIR spectroscopy has been proposed as a rapid and inexpensive tool for intensively mapping soil texture and organic carbon (SOC). While lab-based VisNIR has been established as a viable technique for estimating various soil properties, few experiments have compared the predictive accuracy of on-the-go and lab-based VisNIR. Eight north central Montana wheat fields were intensively interrogated using on-the-go and lab-based VisNIR. Lab-based spectral data consistently provided more accurate predictions than on-the-go data. However, neither in situ

  6. Analysis of rocks particulates by VNIR spectroscopy with Ma_Miss instrument breadboard.

    Science.gov (United States)

    De Angelis, Simone; Altieri, Francesca; Giardino, Marco; Ammannito, Eleonora; Carli, Cristian; Frigeri, Alessandro; De Sanctis, Maria Cristina

    Ma_Miss (Mars Multispectral Imager for Subsurface Studies) miniaturized spectrometer will investigate the Martian subsurface in the Visible and Near Infrared spectral range 0.4-2.2 mum, with 120 mum spatial resolution, and 20 nm of spectral resolution. It will be integrated in the Drill of the Pasteur Rover of the ExoMars 2018 mission, and will acquire spectra of the borehole wall performed by the Drill in the subsoil, at depths down to 2 meters. The main objective of Exomars mission is the search of present or past life and the investigation about the conditions favourable to the development of life. So the characterization of the possible water geochemical environment is the primary goal: thus objectives will be the search for hydrated silicates as well as carbonate or sulphate layers. The goal of Ma_Miss is the study of the Martian subsurface, and its principal scientific objectives are: the determination of the subsurface mineralogy and the reconstraction of a stratigraphic column or sequence, by means of Visible and Near Infrared reflectance spectroscopy; the characterization of physical properties of materials. The instrument breadboard is operative at the IAPS/INAF laboratory; it consists of the main subsystems except the spectrometer, that is a commercial spectrometer (FieldSpec Pro ©): a 5 W lamp supplies the illumination; an optical fibres bundle carries the light from the lamp to the Optical Head, which has the double task of focusing the light on the observed target and of collecting the scattered light from the target. The illumination spot on the target is 1 mm in diameter, while the light is recollected from a 120-mum spot. A single optical fibre carries the collected light from the Optical Head to the spectrometer. The interface between the Optical Head and the external wall is the Sapphire Window, which has high hardness and transparency. The light is focused on the wall at a distance of less than 1 mm outside the Sapphire Window. In this work

  7. VNIR Reflectance and MIR Emissivity Spectra of Ordinary Chondrite Meteorites Under Simulated Asteroid Surface Conditions

    Science.gov (United States)

    Gemma, M.; Shirley, K.; Glotch, T. D.; Ebel, D. S. S.

    2017-12-01

    Recent missions have revealed much about the nature of many Near-Earth asteroids, including the NEAR-Shoemaker target 433 Eros and Hayabusa target 25142 Itokawa. Both asteroids appear to have mineralogy consistent with ordinary chondrite meteorites. Laboratory spectral analysis of well-constrained meteorite samples can be employed as a reference tool to characterize and constrain data from current and future asteroid studies. A sample set of ordinary chondrite meteorites was chosen from the collection at the American Museum of Natural History. Six meteorites, spanning groups H, L, and LL, were prepared at four different size fractions (25-63 μm, 63-90 μm, 90-125 μm, 125-250 μm) in an attempt to mimic regolith known to exist on asteroids such as 433 Eros and 25142 Itokawa. At the Center for Planetary Exploration at Stony Brook University, spectra of the ordinary chondrite material were measured under simulated asteroid surface conditions ( 10-6 mbar, 150 K chamber temperature, low intensity illumination). The samples were used in two experiments: one measuring visible and near-infrared (VNIR) reflectance spectra at a series of temperatures, and the other measuring mid-infrared (MIR) emissivity spectra. The emissivity measurements require accurate simulation of the thermal environment within asteroid regolith, achieved by inducing a thermal gradient within the sample that results in a surface brightness temperature around 323 K (similar to the surface of 25142 Itokawa). Mid-IR emissivity spectra were collected for each sample at a surface temperature of 323 K, and reflectance spectra were collected in increments of 10 K, over the range 283 K to 373 K. Preliminary VNIR spectra show spreads similar to those seen in Hinrichs and Lucey (2002). Preliminary MIR emissivity spectra suggest that under asteroid surface conditions, the position of the Christiansen feature shifts to shorter wavelengths and emissivity is lower in the Reststrahlen bands when compared to

  8. Estimating soil zinc concentrations using reflectance spectroscopy

    Science.gov (United States)

    Sun, Weichao; Zhang, Xia

    2017-06-01

    Soil contamination by heavy metals has been an increasingly severe threat to nature environment and human health. Efficiently investigation of contamination status is essential to soil protection and remediation. Visible and near-infrared reflectance spectroscopy (VNIRS) has been regarded as an alternative for monitoring soil contamination by heavy metals. Generally, the entire VNIR spectral bands are employed to estimate heavy metal concentration, which lacks interpretability and requires much calculation. In this study, 74 soil samples were collected from Hunan Province, China and their reflectance spectra were used to estimate zinc (Zn) concentration in soil. Organic matter and clay minerals have strong adsorption for Zn in soil. Spectral bands associated with organic matter and clay minerals were used for estimation with genetic algorithm based partial least square regression (GA-PLSR). The entire VNIR spectral bands, the bands associated with organic matter and the bands associated with clay minerals were incorporated as comparisons. Root mean square error of prediction, residual prediction deviation, and coefficient of determination (R2) for the model developed using combined bands of organic matter and clay minerals were 329.65 mg kg-1, 1.96 and 0.73, which is better than 341.88 mg kg-1, 1.89 and 0.71 for the entire VNIR spectral bands, 492.65 mg kg-1, 1.31 and 0.40 for the organic matter, and 430.26 mg kg-1, 1.50 and 0.54 for the clay minerals. Additionally, in consideration of atmospheric water vapor absorption in field spectra measurement, combined bands of organic matter and absorption around 2200 nm were used for estimation and achieved high prediction accuracy with R2 reached 0.640. The results indicate huge potential of soil reflectance spectroscopy in estimating Zn concentrations in soil.

  9. Wastewater Biosolid Composting Optimization Based on UV-VNIR Spectroscopy Monitoring.

    Science.gov (United States)

    Temporal-Lara, Beatriz; Melendez-Pastor, Ignacio; Gómez, Ignacio; Navarro-Pedreño, Jose

    2016-11-15

    Conventional wastewater treatment generates large amounts of organic matter-rich sludge that requires adequate treatment to avoid public health and environmental problems. The mixture of wastewater sludge and some bulking agents produces a biosolid to be composted at adequate composting facilities. The composting process is chemically and microbiologically complex and requires an adequate aeration of the biosolid (e.g., with a turner machine) for proper maturation of the compost. Adequate (near) real-time monitoring of the compost maturity process is highly difficult and the operation of composting facilities is not as automatized as other industrial processes. Spectroscopic analysis of compost samples has been successfully employed for compost maturity assessment but the preparation of the solid compost samples is difficult and time-consuming. This manuscript presents a methodology based on a combination of a less time-consuming compost sample preparation and ultraviolet, visible and short-wave near-infrared spectroscopy. Spectroscopic measurements were performed with liquid compost extract instead of solid compost samples. Partial least square (PLS) models were developed to quantify chemical fractions commonly employed for compost maturity assessment. Effective regression models were obtained for total organic matter (residual predictive deviation-RPD = 2.68), humification ratio (RPD = 2.23), total exchangeable carbon (RPD = 2.07) and total organic carbon (RPD = 1.66) with a modular and cost-effective visible and near infrared (VNIR) spectroradiometer. This combination of a less time-consuming compost sample preparation with a versatile sensor system provides an easy-to-implement, efficient and cost-effective protocol for compost maturity assessment and near-real-time monitoring.

  10. Wastewater Biosolid Composting Optimization Based on UV-VNIR Spectroscopy Monitoring

    Directory of Open Access Journals (Sweden)

    Beatriz Temporal-Lara

    2016-11-01

    Full Text Available Conventional wastewater treatment generates large amounts of organic matter–rich sludge that requires adequate treatment to avoid public health and environmental problems. The mixture of wastewater sludge and some bulking agents produces a biosolid to be composted at adequate composting facilities. The composting process is chemically and microbiologically complex and requires an adequate aeration of the biosolid (e.g., with a turner machine for proper maturation of the compost. Adequate (near real-time monitoring of the compost maturity process is highly difficult and the operation of composting facilities is not as automatized as other industrial processes. Spectroscopic analysis of compost samples has been successfully employed for compost maturity assessment but the preparation of the solid compost samples is difficult and time-consuming. This manuscript presents a methodology based on a combination of a less time-consuming compost sample preparation and ultraviolet, visible and short-wave near-infrared spectroscopy. Spectroscopic measurements were performed with liquid compost extract instead of solid compost samples. Partial least square (PLS models were developed to quantify chemical fractions commonly employed for compost maturity assessment. Effective regression models were obtained for total organic matter (residual predictive deviation—RPD = 2.68, humification ratio (RPD = 2.23, total exchangeable carbon (RPD = 2.07 and total organic carbon (RPD = 1.66 with a modular and cost-effective visible and near infrared (VNIR spectroradiometer. This combination of a less time-consuming compost sample preparation with a versatile sensor system provides an easy-to-implement, efficient and cost-effective protocol for compost maturity assessment and near-real-time monitoring.

  11. Visible and Near-Infrared (VNIR) Spectroscopy of Altered Basalts with Application to the ChemCam Library for Mars Science Laboratory

    Science.gov (United States)

    Hadnott, B.; Ehlmann, B. L.

    2012-12-01

    The discovery of Fe, Mg, and Al clays on Mars using VNIR spectroscopy from orbit indicates past low temperature/pressure hydrothermal and weathering environments. Laboratory analysis of Mars-analog rocks from these settings on Earth was used to build the ChemCam sample library for Mars Science Laboratory, permitting for more accurate compositional analysis of Martian samples, improved linkages between VNIR's mineralogic and ChemCam's elemental data, and improved recognition of different environmental settings for aqueous alteration. VNIR spectroscopy was used to analyze 4 suites of altered basaltic rocks—one from San Carlos, AZ and three from various locations in Iceland. Continuum shape and absorption features were found to vary, depending on the environment and extent of alteration. Relatively unaltered rocks had electronic absorptions related to ferrous iron. The strength of the 1.9- μm (μm = microns) H2O absorption correlated with the degree of aqueous alteration. Samples with strong 1.9- μm absorptions often exhibited absorption bands at 1.4, 2.2, and 2.3 μm indicating the presence of clay minerals and/or features at 0.5-0.8 μm indicative of ferric iron oxides. Diagnostic absorption features and continuum slopes have been used to identify a representative subset of rocks from each suite for further analysis for the ChemCam library. Noteworthy spectral features for all suites included variation of absorption bands from 2.0-2.5 μm. Most samples contained an absorption band near 2.21 μm, indicating the presence of Si-OH or Al-OH; a 2.3 μm band is also present in some samples, indicating the presence of Mg-OH and Fe-OH, with subtle shifts between 2.29 and 2.35 μm indicating the major cation and constituent phase (e.g. amorphous phase, smectite or chlorite). Overall continuum slope correlated with the degree of alteration. Flat slopes contained weak 1.9 μm bands (little alteration) and sometimes ferrous iron absorptions of primary minerals. Negative

  12. Diffuse Reflectance Spectroscopy for Total Carbon Analysis of Hawaiian Soils

    Science.gov (United States)

    McDowell, M. L.; Bruland, G. L.; Deenik, J. L.; Grunwald, S.; Uchida, R.

    2010-12-01

    Accurate assessment of total carbon (Ct) content is important for fertility and nutrient management of soils, as well as for carbon sequestration studies. The non-destructive analysis of soils by diffuse reflectance spectroscopy (DRS) is a potential supplement or alternative to the traditional time-consuming and costly combustion method of Ct analysis, especially in spatial or temporal studies where sample numbers are large. We investigate the use of the visible to near-infrared (VNIR) and mid-infrared (MIR) spectra of soils coupled with chemometric analysis to determine their Ct content. Our specific focus is on Hawaiian soils of agricultural importance. Though this technique has been introduced to the soil community, it has yet to be fully tested and used in practical applications for all soil types, and this is especially true for Hawaii. In short, DRS characterizes and differentiates materials based on the variation of the light reflected by a material at certain wavelengths. This spectrum is dependent on the material’s composition, structure, and physical state. Multivariate chemometric analysis unravels the information in a set of spectra that can help predict a property such as Ct. This study benefits from the remarkably diverse soils of Hawaii. Our sample set includes 216 soil samples from 145 pedons from the main Hawaiian Islands archived at the National Soil Survey Center in Lincoln, NE, along with more than 50 newly-collected samples from Kauai, Oahu, Molokai, and Maui. In total, over 90 series from 10 of the 12 soil orders are represented. The Ct values of these samples range from < 1% - 55%. We anticipate that the diverse nature of our sample set will ensure a model with applicability to a wide variety of soils, both in Hawaii and globally. We have measured the VNIR and MIR spectra of these samples and obtained their Ct values by dry combustion. Our initial analyses are conducted using only samples obtained from the Lincoln archive. In this

  13. High-resolution reflection spectroscopy

    International Nuclear Information System (INIS)

    Ducloy, Martial

    1997-01-01

    In this article some recent developments in selective reflection spectroscopy is reviewed and the various ways to extend Doppler free techniques to this spectroscopic field is discussed. Its main feature is to probe atomic gas close to the cell boundaries

  14. Reflectance spectroscopy and asteroid surface mineralogy

    International Nuclear Information System (INIS)

    Gaffey, M.J.; Bell, J.F.; Cruikshank, D.P.

    1989-01-01

    Information available from reflectance spectroscopy on the surface mineralogy of asteroids is discussed. Current spectral interpretive procedures used in the investigations of asteroid mineralogy are described. Present understanding of the nature and history of asteroids is discussed together with some still unresolved issues such as the source of ordinary chondrites. 100 refs

  15. Transmission versus reflectance spectroscopy for quantitation

    Science.gov (United States)

    Gardner, Craig M.

    2018-01-01

    The objective of this work was to compare the accuracy of analyte concentration estimation when using transmission versus diffuse reflectance spectroscopy of a scattering medium. Monte Carlo ray tracing of light through the medium was used in conjunction with pure component absorption spectra and Beer-Lambert absorption along each ray's pathlength to generate matched sets of pseudoabsorbance spectra, containing water and six analytes present in skin. PLS regression models revealed an improvement in accuracy when using transmission compared to reflectance for a range of medium thicknesses and instrument noise levels. An analytical expression revealed the source of the accuracy degradation with reflectance was due both to the reduced collection efficiency for a fixed instrument etendue and to the broad pathlength distribution that detected light travels in the medium before exiting from the incident side.

  16. Field Spectroscopy in the VNIR-SWIR Region to Discriminate between Mediterranean Native Plants and Exotic-Invasive Shrubs Based on Leaf Tannin Content

    Directory of Open Access Journals (Sweden)

    Jan Rudolf Karl Lehmann

    2015-01-01

    Full Text Available The invasive shrub, Acacia longifolia, native to southeastern Australia, has a negative impact on vegetation and ecosystem functioning in Portuguese dune ecosystems. In order to spectrally discriminate A. longifolia from other non-native and native species, we developed a classification model based on leaf reflectance spectra (350–2500 nm and condensed leaf tannin content. High variation of leaf tannin content is common for Mediterranean shrub and tree species, in particular between N-fixing and non-N-fixing species, as well as within the genus, Acacia. However, variation in leaf tannin content has not been studied in coastal dune ecosystems in southwest Portugal. We hypothesized that condensed tannin concentration varies significantly across species, further allowing for distinguishing invasive, nitrogen-fixing A. longifolia from other vegetation based on leaf spectral reflectance data. Spectral field measurements were carried out using an ASD FieldSpec FR spectroradiometer attached to an ASD leaf clip in order to collect 750 in situ leaf reflectance spectra of seven frequent plant species at three study sites in southwest Portugal. We applied partial least squares (PLS regression to predict the obtained leaf reflectance spectra of A. longifolia individuals to their corresponding tannin concentration. A. longifolia had the lowest tannin concentration of all investigated species. Four wavelength regions (675–710 nm, 1060–1170 nm, 1360–1450 nm and 1630–1740 nm were identified as being highly correlated with tannin concentration. A spectra-based classification model of the different plant species was calculated using a principal component analysis-linear discriminant analysis (PCA-LDA. The best prediction of A. longifolia was achieved by using wavelength regions between 1360–1450 nm and 1630–1740 nm, resulting in a user’s accuracy of 98.9%. In comparison, selecting the entire wavelength range, the best user accuracy only reached 86

  17. Optical Reflection Spectroscopy of GEO Objects

    Science.gov (United States)

    Seitzer, Patrick; Cardona, Tammaso; Lederer, Susan M.; Cowardin, Heather; Abercromby, Kira J.; Barker, Edwin S.; Bedard, Donald

    2013-01-01

    We report on optical reflection spectroscopy of geosynchronous (GEO) objects in the US Space Surveillance Network (SSN) catalog. These observations were obtained using imaging spectrographs on the 6.5-m Magellan telescopes at the Las Campanas Observatory in Chile. Our goal is to determine the composition of these objects by comparing these spectral observations with ground-based laboratory measurements of spacecraft materials. The observations are all low resolution (1 nm after smoothing) obtained through a 5 arcsecond wide slit and using a grism as the dispersing element. The spectral range covered was from 450 nm to 800 nm. All spectra were flux calibrated using observations of standard stars with the exact same instrumental setup. An effort was made to obtain all observations within a limited range of topocentric phase angle, although the solar incident angle is unknown due to the lack of any knowledge of the attitude of the observed surface at the time of observation.

  18. Reflectance spectroscopy of organic compounds: 1. Alkanes

    Science.gov (United States)

    Clark, R.N.; Curchin, J.M.; Hoefen, T.M.; Swayze, G.A.

    2009-01-01

    Reflectance spectra of the organic compounds comprising the alkane series are presented from the ultraviolet to midinfrared, 0.35 to 15.5 /??m. Alkanes are hydrocarbon molecules containing only single carbon-carbon bonds, and are found naturally on the Earth and in the atmospheres of the giant planets and Saturn's moon, Titan. This paper presents the spectral properties of the alkanes as the first in a series of papers to build a spectral database of organic compounds for use in remote sensing studies. Applications range from mapping the environment on the Earth, to the search for organic molecules and life in the solar system and throughout the. universe. We show that the spectral reflectance properties of organic compounds are rich, with major diagnostic spectral features throughout the spectral range studied. Little to no spectral change was observed as a function of temperature and only small shifts and changes in the width of absorption bands were observed between liquids and solids, making remote detection of spectral properties throughout the solar system simpler. Some high molecular weight organic compounds contain single-bonded carbon chains and have spectra similar to alkanes even ' when they fall into other families. Small spectral differences are often present allowing discrimination among some compounds, further illustrating the need to catalog spectral properties for accurate remote sensing identification with spectroscopy.

  19. Mid infrared upconversion spectroscopy using diffuse reflectance

    DEFF Research Database (Denmark)

    Sanders, Nicolai Højer; Kehlet, Louis M.; Dam, Jeppe Seidelin

    2014-01-01

    specifically that upconversion methods can be deployed using a diffuse reflectance setup where the test sample is irradiated by a thermal light source, i.e. a globar. The diffuse reflectance geometry is particularly well suited when a transmission setup cannot be used. This situation may happen for highly...

  20. Using reflectance spectroscopy to predict beef tenderness.

    Science.gov (United States)

    Bowling, M B; Vote, D J; Belk, K E; Scanga, J A; Tatum, J D; Smith, G C

    2009-05-01

    A study was conducted to determine if reflectance measurements made in the near-infrared region of the spectrum were additive to reflectance measurements made in the visible region of the spectrum for predicting Warner-Bratzler shear force (WBSF) values. Eighty seven strip loins were collected following fabrication over 3d at a commercial beef processing facility from heifer carcasses with Slight or Traces marbling scores. Spectroscopic measurements were made at approximately 50h postmortem using a Hunter-Lab UltraScan. Subsequently, all strip loins were aged for 14d, cooked to an internal temperature of 70°C, and sheared to obtain WBSF values. Reflectance measurements obtained in the near-infrared region of the spectrum were correlated with WBSF values, however, these measurements were not additive to the predictive ability of reflectance measurements (R(2) values did not differ) made in the visible portion of the spectrum when the use of broad-band wavelength filters were simulated. It was therefore determined, that both the visible and near-infrared spectra measure reflectance and that both methods are acceptable methods of tenderness prediction.

  1. Forensic applications of microscopical infrared internal reflection spectroscopy

    Science.gov (United States)

    Tungol, Mary W.; Bartick, Edward G.; Reffner, John A.

    1994-01-01

    Applications of microscopical infrared internal reflection spectroscopy in forensic science are discussed. Internal reflection spectra of single fibers, hairs, paint chips, vehicle rubber bumpers, photocopy toners, carbon copies, writing ink on paper, lipstick on tissue, black electrical tape, and other types of forensic evidence have been obtained. The technique is convenient, non-destructive, and may permit smeared materials to be analyzed in situ.

  2. Rapid identification of soil cadmium pollution risk at regional scale based on visible and near-infrared spectroscopy

    NARCIS (Netherlands)

    Chen, T.; Changa, Q.; Clevers, J.G.P.W.; Kooistra, L.

    2015-01-01

    Soil heavy metal pollution due to long-term sewage irrigation is a serious environmental problem in many irrigation areas in northern China. Quickly identifying its pollution status is an important basis for remediation. Visible-near-infrared reflectance spectroscopy (VNIRS) provides a useful tool.

  3. Total reflection X-ray photoelectron spectroscopy: A review

    International Nuclear Information System (INIS)

    Kawai, Jun

    2010-01-01

    Total reflection X-ray photoelectron spectroscopy (TRXPS) is reviewed and all the published papers on TRXPS until the end of 2009 are included. Special emphasis is on the historical development. Applications are also described for each report. The background reduction is the most important effect of total reflection, but interference effect, relation to inelastic mean free path, change of probing depth are also discussed.

  4. Instrumentation for Reflectance Spectroscopy and Microspectroscopy with Application to Astrobiology

    Science.gov (United States)

    Mouroulis, Pantazis; Blaney, Diana L.; Green, Robert O.

    2008-01-01

    We present instrument concepts for in-situ reflectance spectroscopy over a spatial resolution range from several meters to tens of micrometers. These have been adapted to the low mass and power requirements of rover or similar platforms. Described are a miniaturized imaging spectrometer for rover mast, a combined mast and arm point spectrometer, and an imaging microspectrometer for the rover arm.

  5. Optical Fiber Sensing Based on Reflection Laser Spectroscopy

    Directory of Open Access Journals (Sweden)

    Gianluca Gagliardi

    2010-03-01

    Full Text Available An overview on high-resolution and fast interrogation of optical-fiber sensors relying on laser reflection spectroscopy is given. Fiber Bragg-gratings (FBGs and FBG resonators built in fibers of different types are used for strain, temperature and acceleration measurements using heterodyne-detection and optical frequency-locking techniques. Silica fiber-ring cavities are used for chemical sensing based on evanescent-wave spectroscopy. Various arrangements for signal recovery and noise reduction, as an extension of most typical spectroscopic techniques, are illustrated and results on detection performances are presented.

  6. ASTER L2 Surface Radiance VNIR and SWIR V003

    Data.gov (United States)

    National Aeronautics and Space Administration — The ASTER L2 Surface Radiance is a multi-file product that contains atmospherically corrected data for both the Visible Near-Infrared (VNIR) and Shortwave Infrared...

  7. VNIR spectral modeling of Mars analogue rocks: first results

    Science.gov (United States)

    Pompilio, L.; Roush, T.; Pedrazzi, G.; Sgavetti, M.

    Knowledge regarding the surface composition of Mars and other bodies of the inner solar system is fundamental to understanding of their origin, evolution, and internal structures. Technological improvements of remote sensors and associated implications for planetary studies have encouraged increased laboratory and field spectroscopy research to model the spectral behavior of terrestrial analogues for planetary surfaces. This approach has proven useful during Martian surface and orbital missions, and petrologic studies of Martian SNC meteorites. Thermal emission data were used to suggest two lithologies occurring on Mars surface: basalt with abundant plagioclase and clinopyroxene and andesite, dominated by plagioclase and volcanic glass [1,2]. Weathered basalt has been suggested as an alternative to the andesite interpretation [3,4]. Orbital VNIR spectral imaging data also suggest the crust is dominantly basaltic, chiefly feldspar and pyroxene [5,6]. A few outcrops of ancient crust have higher concentrations of olivine and low-Ca pyroxene, and have been interpreted as cumulates [6]. Based upon these orbital observations future lander/rover missions can be expected to encounter particulate soils, rocks, and rock outcrops. Approaches to qualitative and quantitative analysis of remotely-acquired spectra have been successfully used to infer the presence and abundance of minerals and to discover compositionally associated spectral trends [7-9]. Both empirical [10] and mathematical [e.g. 11-13] methods have been applied, typically with full compositional knowledge, to chiefly particulate samples and as a result cannot be considered as objective techniques for predicting the compositional information, especially for understanding the spectral behavior of rocks. Extending the compositional modeling efforts to include more rocks and developing objective criteria in the modeling are the next required steps. This is the focus of the present investigation. We present results of

  8. Terahertz time-domain transmission and reflection spectroscopy of niobium

    International Nuclear Information System (INIS)

    Hong, Tae Yoon; Choi, Kyu Jin; Park, Byoung Cheol; Ha, Tae Woo; Sim, Kyung Ik; Kim, Jea Hoon; Ha, Dong Gwang; Chang, Yonuk

    2013-01-01

    We have developed a terahertz time-domain spectroscopy (THz-TDS) system for transmission and reflection measurements of metallic thin films. Using our THz-TDS system, we studied the conventional superconductor niobium (Nb) in the normal state in the spectral range from 5 to 50 cm -1 . Both the real and imaginary parts of the conductivity are acquired without Kramers-Kronig analysis. Nb exhibits a nearly frequency independent real conductivity spectrum in the terahertz range, with a very small imaginary part.

  9. Assessing human skin with diffuse reflectance spectroscopy and colorimetry

    Science.gov (United States)

    Seo, InSeok; Liu, Yang; Bargo, Paulo R.; Kollias, Nikiforos

    2012-02-01

    Colorimetry has been used as an objective measure of perceived skin color by human eye to document and score physiological responses of the skin from external insults. CIE color space values (L*, a* and b*) are the most commonly used parameters to correlate visually perceived color attributes such as L* for pigment, a* for erythema, and b* for sallowness of the skin. In this study, we investigated the relation of Lab color scale to the amount of major skin chromophores (oxy-, deoxyhemoglobin and melanin) calculated from diffuse reflectance spectroscopy. Thirty two healthy human subjects with ages from 20 to 70 years old, skin types I-VI, were recruited for the study. DRS and colorimetry measurements were taken from the left and right cheeks, and on the right upper inner arm. The melanin content calculated from 630-700 nm range of DRS measurements was shown to correlate with the lightness of skin (L*) for most skin types. For subjects with medium-to-light complexion, melanin measured at the blue part spectrum and hemoglobin interfered on the relation of lightness of the skin color to the melanin content. The sallowness of the skin that is quantified by the melanin contribution at the blue part spectrum of DRS was found to be related to b* scale. This study demonstrates the importance of documenting skin color by assessing individual skin chromophores with diffuse reflectance spectroscopy, in comparison to colorimetry assessment.

  10. Autofluorescence and diffuse reflectance patterns in cervical spectroscopy

    Science.gov (United States)

    Marin, Nena Maribel

    Fluorescence and diffuse reflectance spectroscopy are two new optical technologies, which have shown promise to aid in the real time, non-invasive identification of cancers and precancers. Spectral patterns carry a fingerprint of scattering, absorption and fluorescence properties in tissue. Scattering, absorption and fluorescence in tissue are directly affected by biological features that are diagnostically significant, such as nuclear size, micro-vessel density, volume fraction of collagen fibers, tissue oxygenation and cell metabolism. Thus, analysis of spectral patterns can unlock a wealth of information directly related with the onset and progression of disease. Data from a Phase II clinical trial to assess the technical efficacy of fluorescence and diffuse reflectance spectroscopy acquired from 850 women at three clinical locations with two research grade optical devices is calibrated and analyzed. Tools to process and standardize spectra so that data from multiple spectrometers can be combined and analyzed are presented. Methodologies for calibration and quality assurance of optical systems are established to simplify design issues and ensure validity of data for future clinical trials. Empirically based algorithms, using multivariate statistical approaches are applied to spectra and evaluated as a clinical diagnostic tool. Physically based algorithms, using mathematical models of light propagation in tissue are presented. The presented mathematical model combines a diffusion theory in P3 approximation reflectance model and a 2-layer fluorescence model using exponential attenuation and diffusion theory. The resulting adjoint fluorescence and reflectance model extracts twelve optical properties characterizing fluorescence efficiency of cervical epithelium and stroma fluorophores, stromal hemoglobin and collagen absorption, oxygen saturation, and stromal scattering strength and shape. Validations with Monte Carlo simulations show that adjoint model extracted

  11. Polarization contrast linear spectroscopies for cubic semiconductors under stress: macro- and micro-reflectance difference spectroscopies

    Energy Technology Data Exchange (ETDEWEB)

    Lastras-Martinez, L.F.; Balderas-Navarro, R.E.; Castro-Garcia, R.; Herrera-Jasso, R.; Lastras-Martinez, A. [Instituto de Investigacion en Comunicacion Optica, Universidad Autonoma de San Luis Potosi, Alvaro Obregon 64, 78000 San Luis Potosi, S.L.P. (Mexico); Chavira-Rodriguez, M. [Departamento de Fisico Matematicas, Universidad Autonoma de San Luis Potosi, Alvaro Obregon 64, 78000 San Luis Potosi, S.L.P. (Mexico)

    2011-01-15

    The technique to measure optical anisotropies (OA) in cubic semiconductors is termed either reflectance difference spectroscopy (RDS) or reflectance anisotropy spectroscopy (RAS). In this paper we report on the application of RDS/RAS to a number of cubic semiconductors. We discuss RD spectra of GaAs, Si, CdTe, GaP, InP and GaSb (001) surfaces, induced by an uniaxial stress applied along [110] crystal directions. We show that all RD spectra can be explained in terms of a phenomenological model based on a perturbative Hamiltonian. We further report on measurements of spatial-resolved RDS measurements of GaAs employing a newly developed micro-RD spectrometer with a spatial resolution of 5 {mu}m. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  12. 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

  13. Probing skin interaction with hydrogen peroxide using diffuse reflectance spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Zonios, George [Department of Materials Science and Engineering, University of Ioannina, 45110 Ioannina (Greece); Dimou, Aikaterini [Department of Materials Science and Engineering, University of Ioannina, 45110 Ioannina (Greece); Galaris, Dimitrios [Laboratory of Biological Chemistry, School of Medicine, University of Ioannina, 45110 Ioannina (Greece)

    2008-01-07

    Hydrogen peroxide is an important oxidizing agent in biological systems. In dermatology, it is frequently used as topical antiseptic, it has a haemostatic function, it can cause skin blanching, and it can facilitate skin tanning. In this work, we investigated skin interaction with hydrogen peroxide, non-invasively, using diffuse reflectance spectroscopy. We observed transient changes in the oxyhaemoglobin and deoxyhaemoglobin concentrations as a result of topical application of dilute H{sub 2}O{sub 2} solutions to the skin, with changes in deoxyhaemoglobin concentration being more pronounced. Furthermore, we did not observe any appreciable changes in melanin absorption properties as well as in the skin scattering properties. We also found no evidence for production of oxidized haemoglobin forms. Our observations are consistent with an at least partial decomposition of hydrogen peroxide within the stratum corneum and epidermis, with the resulting oxygen and/or remaining hydrogen peroxide inducing vasoconstriction to dermal blood vessels and increasing haemoglobin oxygen saturation. An assessment of the effects of topical application of hydrogen peroxide to the skin may serve as the basis for the development of non-invasive techniques to measure skin antioxidant capacity and also may shed light onto skin related disorders such as vitiligo.

  14. Probing skin interaction with hydrogen peroxide using diffuse reflectance spectroscopy

    International Nuclear Information System (INIS)

    Zonios, George; Dimou, Aikaterini; Galaris, Dimitrios

    2008-01-01

    Hydrogen peroxide is an important oxidizing agent in biological systems. In dermatology, it is frequently used as topical antiseptic, it has a haemostatic function, it can cause skin blanching, and it can facilitate skin tanning. In this work, we investigated skin interaction with hydrogen peroxide, non-invasively, using diffuse reflectance spectroscopy. We observed transient changes in the oxyhaemoglobin and deoxyhaemoglobin concentrations as a result of topical application of dilute H 2 O 2 solutions to the skin, with changes in deoxyhaemoglobin concentration being more pronounced. Furthermore, we did not observe any appreciable changes in melanin absorption properties as well as in the skin scattering properties. We also found no evidence for production of oxidized haemoglobin forms. Our observations are consistent with an at least partial decomposition of hydrogen peroxide within the stratum corneum and epidermis, with the resulting oxygen and/or remaining hydrogen peroxide inducing vasoconstriction to dermal blood vessels and increasing haemoglobin oxygen saturation. An assessment of the effects of topical application of hydrogen peroxide to the skin may serve as the basis for the development of non-invasive techniques to measure skin antioxidant capacity and also may shed light onto skin related disorders such as vitiligo

  15. Diffuse reflectance spectroscopy for the measurement of tissue oxygen saturation

    International Nuclear Information System (INIS)

    Sircan-Kucuksayan, A; Canpolat, M; Uyuklu, M

    2015-01-01

    Tissue oxygen saturation (StO 2 ) is a useful parameter for medical applications. A spectroscopic method has been developed to detect pathologic tissues, due to a lack of normal blood circulation, by measuring StO 2 . In this study, human blood samples with different levels of oxygen saturation have been prepared and spectra were acquired using an optical fiber probe to investigate the correlation between the oxygen saturation levels and the spectra. A linear correlation between the oxygen saturation and ratio of the intensities (760 nm to 790 nm) of the spectra acquired from blood samples has been found. In a validation study, oxygen saturations of the blood samples were estimated from the spectroscopic measurements with an error of 2.9%. It has also been shown that the linear dependence between the ratio and the oxygen saturation of the blood samples was valid for the blood samples with different hematocrits. Spectra were acquired from the forearms of 30 healthy volunteers to estimate StO 2 prior to, at the beginning of, after 2 min, and at the release of total vascular occlusion. The average StO 2 of a forearm before and after the two minutes occlusion was significantly different. The results suggested that optical reflectance spectroscopy is a sensitive method to estimate the StO 2 levels of human tissue. The technique developed to measure StO 2 has potential to detect ischemia in real time. (paper)

  16. Intramyocardial oxygen transport by quantitative diffuse reflectance spectroscopy in calves

    Science.gov (United States)

    Lindbergh, Tobias; Larsson, Marcus; Szabó, Zoltán; Casimir-Ahn, Henrik; Strömberg, Tomas

    2010-03-01

    Intramyocardial oxygen transport was assessed during open-chest surgery in calves by diffuse reflectance spectroscopy using a small intramuscular fiber-optic probe. The sum of hemo- and myoglobin tissue fraction and oxygen saturation, the tissue fraction and oxidation of cytochrome aa3, and the tissue fraction of methemoglobin were estimated using a calibrated empirical light transport model. Increasing the oxygen content in the inhaled gas, 21%-50%-100%, in five calves (group A) gave an increasing oxygen saturation of 19+/-4%, 24+/-5%, and 28+/-8% (panimals increased with LVAD pump speed (p<0.001, ANOVA) and with oxygen content in inhaled gas (p<0.001, ANOVA). The cytochrome aa3 oxidation level was above 96% in both group A and group B calves, including the two cases involving cardiac arrest. In conclusion, the estimated tissue fractions and oxygenation/oxidation levels of the myocardial chromophores during respiratory and hemodynamic provocations were in agreement with previously presented results, demonstrating the potential of the method.

  17. Diffuse Reflectance Spectroscopy for Surface Measurement of Liver Pathology.

    Science.gov (United States)

    Nilsson, Jan H; Reistad, Nina; Brange, Hannes; Öberg, Carl-Fredrik; Sturesson, Christian

    2017-01-01

    Liver parenchymal injuries such as steatosis, steatohepatitis, fibrosis, and sinusoidal obstruction syndrome can lead to increased morbidity and liver failure after liver resection. Diffuse reflectance spectroscopy (DRS) is an optical measuring method that is fast, convenient, and established. DRS has previously been used on the liver with an invasive technique consisting of a needle that is inserted into the parenchyma. We developed a DRS system with a hand-held probe that is applied to the liver surface. In this study, we investigated the impact of the liver capsule on DRS measurements and whether liver surface measurements are representative of the whole liver. We also wanted to confirm that we could discriminate between tumor and liver parenchyma by DRS. The instrumentation setup consisted of a light source, a fiber-optic contact probe, and two spectrometers connected to a computer. Patients scheduled for liver resection due to hepatic malignancy were included, and DRS measurements were performed on the excised liver part with and without the liver capsule and alongside a newly cut surface. To estimate the scattering parameters and tissue chromophore volume fractions, including blood, bile, and fat, the measured diffuse reflectance spectra were applied to an analytical model. In total, 960 DRS spectra from the excised liver tissue of 18 patients were analyzed. All factors analyzed regarding tumor versus liver tissue were significantly different. When measuring through the capsule, the blood volume fraction was found to be 8.4 ± 3.5%, the lipid volume fraction was 9.9 ± 4.7%, and the bile volume fraction was 8.2 ± 4.6%. No differences could be found between surface measurements and cross-sectional measurements. In measurements with/without the liver capsule, the differences in volume fraction were 1.63% (0.75-2.77), -0.54% (-2.97 to 0.32), and -0.15% (-1.06 to 1.24) for blood, lipid, and bile, respectively. This study shows that it is possible to manage DRS

  18. Total Internal Reflection Fluorescence Microscopy Imaging-Guided Confocal Single-Molecule Fluorescence Spectroscopy

    OpenAIRE

    Zheng, Desheng; Kaldaras, Leonora; Lu, H. Peter

    2013-01-01

    We have developed an integrated spectroscopy system combining total internal reflection fluorescence microscopy imaging with confocal single-molecule fluorescence spectroscopy for two-dimensional interfaces. This spectroscopy approach is capable of both multiple molecules simultaneously sampling and in situ confocal fluorescence dynamics analyses of individual molecules of interest. We have demonstrated the calibration with fluorescent microspheres, and carried out single-molecule spectroscop...

  19. About the use of reflectance terminology in imaging spectroscopy

    NARCIS (Netherlands)

    Schaepman-Strub, G.; Schaepman, M.E.; Dangel, S.; Painter, T.; Martonchik, J.

    2005-01-01

    Analysing databases, field and airborne spectrometer data, modelling studies and publications, a lack of consistency in the use of definitions and terminology of reflectance quantities can be observed. One example is the term `BRDF¿ (bidirectional reflectance distribution function) assigned to

  20. Using visible and near-infrared diffuse reflectance spectroscopy for predicting soil properties based on regression with peaks parameters as derived from continuum-removed spectra

    Science.gov (United States)

    Vasat, Radim; Klement, Ales; Jaksik, Ondrej; Kodesova, Radka; Drabek, Ondrej; Boruvka, Lubos

    2014-05-01

    Visible and near-infrared diffuse reflectance spectroscopy (VNIR-DRS) provides a rapid and inexpensive tool for simultaneous prediction of a variety of soil properties. Usually, some sophisticated multivariate mathematical or statistical methods are employed in order to extract the required information from the raw spectra measurement. For this purpose especially the Partial least squares regression (PLSR) and Support vector machines (SVM) are the most frequently used. These methods generally benefit from the complexity with which the soil spectra are treated. But it is interesting that also techniques that focus only on a single spectral feature, such as a simple linear regression with selected continuum-removed spectra (CRS) characteristic (e.g. peak depth), can often provide competitive results. Therefore, we decided to enhance the potential of CRS taking into account all possible CRS peak parameters (area, width and depth) and develop a comprehensive methodology based on multiple linear regression approach. The eight considered soil properties were oxidizable carbon content (Cox), exchangeable (pHex) and active soil pH (pHa), particle and bulk density, CaCO3 content, crystalline and amorphous (Fed) and amorphous Fe (Feox) forms. In four cases (pHa, bulk density, Fed and Feox), of which two (Fed and Feox) were predicted reliably accurately (0.50 interestingly, in the case of particle density, the presented approach outperformed the PLSR and SVM dramatically offering a fairly accurate prediction (R2cv = 0.827) against two failures (R2cv = 0.034 and 0.121 for PLSR and SVM, resp.). In last two cases (Cox and CaCO3) a slightly worse results were achieved then with PLSR and SVM with overall fairly accurate prediction (R2cv > 0.80). Acknowledgment: Authors acknowledge the financial support of the Ministry of Agriculture of the Czech Republic (grant No. QJ1230319).

  1. Noninvasive particle sizing using camera-based diffuse reflectance spectroscopy

    DEFF Research Database (Denmark)

    Abildgaard, Otto Højager Attermann; Frisvad, Jeppe Revall; Falster, Viggo

    2016-01-01

    Diffuse reflectance measurements are useful for noninvasive inspection of optical properties such as reduced scattering and absorption coefficients. Spectroscopic analysis of these optical properties can be used for particle sizing. Systems based on optical fiber probes are commonly employed...

  2. Reflectance spectroscopy of biochemical components as indicators of tea, Camellia Sinensis, quality

    NARCIS (Netherlands)

    Bian, B.M.; Skidmore, A.K.; Schlerf, M.; Fei, T.; Liu, Y.F.; Wang, T.

    2010-01-01

    The potential of reflectance spectroscopy to estimate the concentration of biochemical compounds related to tea (Camellia sinensis (L.)) quality (total tea polyphenols and free amino acids) is demonstrated. Partial least squares regression (PLSR) was performed to establish the relationship between

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

    NARCIS (Netherlands)

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

    2012-01-01

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

  4. Reflectance spectroscopy of pigmented cutaneous benign and malignant lesions

    Science.gov (United States)

    Borisova, E.; Jeliazkova, Al.; Pavlova, E.; Troyanova, P.; Kundurdjiev, T.; Pavlova, P.; Avramov, L.

    2014-10-01

    For the DRS measurements of skin benign, dysplastic and malignant lesions in vivo we applied halogen lamp (LS-1, OceanOptics Inc, Dunedin, Fl, USA) as a continuous light source in the region of 400-900 nm, optical probe (6+1 fibers) for the delivery of illumination and diffuse reflected light from the skin investigated and microspectrometer USB4000 (OceanOptics Inc., Dunedin, Fl, USA) for a storage and display of the spectra detected. As a diffuse reflectance standard Spectralon® plate was used to calibrate the spectrometer. The reflectance spectra obtained from normal skin in identical anatomic sites of different patients have similar spectral shape features, slightly differ by the reflectance intensity at different wavelengths, depending on the particular patient' skin phototype. One could find diagnostically important spectral features, related to specific intensity changes for a given wavelength due to specific pigments appearance, slope changes by value and sign for the reflectance spectra curves in a specific spectral range, disappearance or manifestation of minima, related to hemoglobin absorption at 410-420 nm, 543, 575 nm. Based on the observed peculiarities multispectral analysis of the reflectance spectra of the different lesions was used and diagnostically specific features are found. Discrimination using the DRS data obtained between benign compound and dermal nevi (45 cases), dysplastic nevi (17 cases) and pigmented malignant melanoma (41 cases) lesions is achieved with a diagnostic accuracy of 96 % for the benign nevi vs. MM, and 90 % for the dysplastic nevi vs. MM.

  5. [Comparative study of reflectance spectroscopy of women's acupoints around menstruation].

    Science.gov (United States)

    Jiang, Xing-Hui; Liu, Han-Ping; Guo, Zhou-Yi; Meng, Yao-Yong; Zeng, Chang-Chun; Liu, Song-Hao

    2010-12-01

    Acupoint was reaction of viscera and its optical parameter was an important characteristic of tissue. In the present work, in order to discuss specificity of acupuncture on the response of qi and blood in human body, we compared the diffuse reflectance of Taichong (LV3), Taibai (SP3), and Chongyang (ST42) before, during and after menstruation. All the acupoints had the same shape of the spectrum and troughs were all at 423.16, 544.06 and 577.47 nm. The values of reflectance during menstruation were greater than before and after menstruation, especially for SP3 and ST42 (P menstruation. Diffuse reflectance may be possibly used in the quantitative analysis of qi and blood.

  6. Light Reflectance Spectroscopy to Detect Positive Surgical Margins on Prostate Cancer Specimens.

    Science.gov (United States)

    Morgan, Monica S C; Lay, Aaron H; Wang, Xinlong; Kapur, Payal; Ozayar, Asim; Sayah, Maryam; Zeng, Li; Liu, Hanli; Roehrborn, Claus G; Cadeddu, Jeffrey A

    2016-02-01

    Intraoperative frozen section analysis is not routinely performed to determine positive surgical margins at radical prostatectomy due to time requirements and unproven clinical usefulness. Light reflectance spectroscopy, which measures light intensity reflected or backscattered from tissues, can be applied to differentiate malignant from benign tissue. We used a novel light reflectance spectroscopy probe to evaluate positive surgical margins on ex vivo radical prostatectomy specimens and correlate its findings with pathological examination. Patients with intermediate to high risk disease undergoing radical prostatectomy were enrolled. Light reflectance spectroscopy was performed on suspected malignant and benign prostate capsule immediately following organ extraction. Each light reflectance spectroscopy at 530 to 830 nm was analyzed and correlated with pathological results. A regression model and forward sequential selection algorithm were developed for optimal feature selection. Eighty percent of light reflectance spectroscopy data were selected to train a logistic regression model, which was evaluated by the remaining 20% data. This was repeated 5 times to calculate averaged sensitivity, specificity and accuracy. Light reflectance spectroscopy analysis was performed on 17 ex vivo prostate specimens, on which a total of 11 histologically positive and 22 negative surgical margins were measured. Two select features from 700 to 830 nm were identified as unique to malignant tissue. Cross-validation when performing the predictive model showed that the optical probe predicted positive surgical margins with 85% sensitivity, 86% specificity, 86% accuracy and an AUC of 0.95. Light reflectance spectroscopy can identify positive surgical margins accurately in fresh ex vivo radical prostatectomy specimens. Further study is required to determine whether such analysis may be used in real time to improve surgical decision making and decrease positive surgical margin rates

  7. Ultraviolet reflectance spectroscopy measurements of planetary materials and their analogs

    Science.gov (United States)

    Hibbitts, C.; Stockstill-Cahill, K.

    2017-12-01

    The compositions of airless solar system objects tell us about the origin and evolutionary processes that are responsible for the current state of our solar system and that shape our environment. Spacecraft have obtained UV reflectance measurements of the surfaces of Mercury, the Moon, asteroids, comets, icy satellites, and Pluto from which composition is being inferred. Most minerals absorb in the UV making studying surface composition both informative but also challenging [e.g. 1]. The UV region is sensitive to atomic and molecular electronic absorptions such as the ligand-metal charge transfer band that is present in oxides and silicates and the conduction band at vacuum UV wavelengths. Unfortunately, limited laboratory reflectance measurements in the ultraviolet hampers the interpretation of some of these planetary UV reflectance datasets. However, several laboratory efforts have been developed [e.g. 2,3] to fill the need for laboratory UV measurements. These are difficult measurements to make, being complicated by the absorptive nature of the atmosphere, requiring measurements to be conducted under vacuum or over very short path lengths of a N2-purged system. Also, the lack of a widely accepted UV diffuse reflectance standard is problematic. At the JHU-APL, bidirectional UV reflectance measurements are obtained under vacuum from 140 nm to 570 nm. Sample temperature can be controlled from 100K to 600K, which enables the study of the interaction of water ice and other volatiles with the refractory samples. Results from our laboratory research include the development of a correlation between the spectral nature of the OMCT band and the abundance of iron in low water content lunar analog glasses [3]. Also, the spectral signature of water in the UV has been investigated. While water-ice has a known strong absorption feature near 180 nm [e.g. 4], adsorbed molecular and disassociatively adsorbed OH apparently are not optically active in this spectral region [5]. We

  8. Catheter based mid-infrared reflectance and reflectance generated absorption spectroscopy

    Science.gov (United States)

    Holman, Hoi-Ying N

    2013-10-29

    A method of characterizing conditions in a tissue, by (a) providing a catheter that has a light source that emits light in selected wavenumbers within the range of mid-IR spectrum; (b) directing the light from the catheter to an area of tissue at a location inside a blood vessel of a subject; (c) collecting light reflected from the location and generating a reflectance spectra; and (d) comparing the reflectance spectra to a reference spectra of normal tissue, whereby a location having an increased number of absorbance peaks at said selected wavenumbers indicates a tissue inside the blood vessel containing a physiological marker for atherosclerosis.

  9. Cryogenic Reflectance Spectroscopy in Support of Planetary Missions

    Science.gov (United States)

    Dalton, J. B.

    2002-01-01

    Present understanding of planetary composition is based primarily on remotely-sensed data, and in particular upon ultraviolet, visible, and infrared spectroscopy. Spectra acquired by telescopic and spacecraft instruments are compared to laboratory measurements of pure materials in order to identify surface components based on characteristic absorption features. Cryogenic spectral measurements are necessary for the study of worlds beyond the Earth's orbit. While some materials exhibit only small spectral changes as a function of temperature, many others are strongly temperature-dependent. For example, hydrated salts exhibit different spectral behavior under conditions appropriate to Europa than at terrestrial temperatures. The icy satellites of the outer solar system contain significant quantities of volatile ices which do not even exist at standard temperature and pressure (STP). A comprehensive spectral database of ices and minerals covering a wide temperature range will have applications ranging from the study of comets and Kuiper Belt objects to outer planet satellites and the polar regions of Mars. Efforts are presently underway at NASA-Ames to develop capabilities which will contribute to such a database. As spacecraft instruments feature increasing spatial and spectral resolution, appropriate laboratory reference spectra become increasingly critical to accurate interpretation of the spacecraft data.

  10. A study of muscular tissue of animal origin by reflection-spectroscopy methods

    Science.gov (United States)

    Plotnikova, L. V.; Nechiporenko, A. P.; Orekhova, S. M.; Plotnikov, P. P.; Ishevskii, A. L.

    2017-06-01

    A comparative analysis of the spectral characteristics of the surface of muscular tissue of animal origin (pork) and its main components has been performed by the methods of diffuse reflection electronic spectroscopy (DRES) and frustrated total internal reflection IR spectroscopy. The experiments have shown that the application of the DRES method makes it possible to detect more pronounced changes in the surface optical characteristics of muscular tissue and obtain electronic spectra containing information about the component composition of its main parts under successive extraction of sarcoplasmic materials, myofibrillar proteins of the actomyosin complex, and stroma mucopolysaccharides.

  11. In situ anodization of aluminum surfaces studied by x-ray reflectivity and electrochemical impedance spectroscopy

    International Nuclear Information System (INIS)

    Bertram, F.; Evertsson, J.; Messing, M. E.; Mikkelsen, A.; Lundgren, E.; Zhang, F.; Pan, J.; Carlà, F.; Nilsson, J.-O.

    2014-01-01

    We present results from the anodization of an aluminum single crystal [Al(111)] and an aluminum alloy [Al 6060] studied by in situ x-ray reflectivity, in situ electrochemical impedance spectroscopy and ex situ scanning electron microscopy. For both samples, a linear increase of oxide film thickness with increasing anodization voltage was found. However, the slope is much higher in the single crystal case, and the break-up of the oxide film grown on the alloy occurs at a lower anodization potential than on the single crystal. The reasons for these observations are discussed as are the measured differences observed for x-ray reflectivity and electrochemical impedance spectroscopy.

  12. Rapid Erosion Modeling in a Western Kenya Watershed using Visible Near Infrared Reflectance, Classification Tree Analysis and 137Cesium.

    Science.gov (United States)

    deGraffenried, Jeff B; Shepherd, Keith D

    2009-12-15

    Human induced soil erosion has severe economic and environmental impacts throughout the world. It is more severe in the tropics than elsewhere and results in diminished food production and security. Kenya has limited arable land and 30 percent of the country experiences severe to very severe human induced soil degradation. The purpose of this research was to test visible near infrared diffuse reflectance spectroscopy (VNIR) as a tool for rapid assessment and benchmarking of soil condition and erosion severity class. The study was conducted in the Saiwa River watershed in the northern Rift Valley Province of western Kenya, a tropical highland area. Soil 137 Cs concentration was measured to validate spectrally derived erosion classes and establish the background levels for difference land use types. Results indicate VNIR could be used to accurately evaluate a large and diverse soil data set and predict soil erosion characteristics. Soil condition was spectrally assessed and modeled. Analysis of mean raw spectra indicated significant reflectance differences between soil erosion classes. The largest differences occurred between 1,350 and 1,950 nm with the largest separation occurring at 1,920 nm. Classification and Regression Tree (CART) analysis indicated that the spectral model had practical predictive success (72%) with Receiver Operating Characteristic (ROC) of 0.74. The change in 137 Cs concentrations supported the premise that VNIR is an effective tool for rapid screening of soil erosion condition.

  13. Quality assessment of terahertz time-domain spectroscopy transmission and reflection modes for graphene conductivity mapping

    DEFF Research Database (Denmark)

    Mackenzie, David M.A.; Whelan, Patrick Rebsdorf; Bøggild, Peter

    2018-01-01

    We present a comparative study of electrical measurements of graphene using terahertz time-domain spectroscopy in transmission and reflection mode, and compare the measured sheet conductivity values to electrical van der Pauw measurements made independently in three different laboratories. Overall......, while offering the additional advantages associated with contactless mapping, such as high throughput, no lithography requirement, and with the spatial mapping directly revealing the presence of any inhomogeneities or isolating defects. The confirmation of the accuracy of reflection-mode removes...

  14. Method for rapid multidiameter single-fiber reflectance and fluorescence spectroscopy through a fiber bundle

    NARCIS (Netherlands)

    Amelink, A.; Hoy, C.L.; Gamm, U.A.; Sterenborg, H.J.C.M.; Robinson, D.J.

    2014-01-01

    We have recently demonstrated a means for quantifying the absorption and scattering properties of biological tissue through multidiameter single-fiber reflectance (MDSFR) spectroscopy. These measurements can be used to correct single-fiber fluorescence (SFF) spectra for the influence of optical

  15. Diffuse reflectance spectroscopy : toward real-time quantification of steatosis in liver

    NARCIS (Netherlands)

    Evers, Daniel J.; Westerkamp, Andrie C.; Spliethoff, Jarich W.; Pully, Vishnu V.; Hompes, Daphne; Hendriks, Benno H. W.; Prevoo, Warner; van Velthuysen, Marie-Louise F.; Porte, Robert J.; Ruers, Theo J. M.

    Assessment of fatty liver grafts during orthotopic liver transplantation is a challenge due to the lack of real-time analysis options during surgery. Diffuse reflectance spectroscopy (DRS) could be a new diagnostic tool to quickly assess steatosis. Eight hundred and seventy-eight optical

  16. Reflectance and Thermal Infrared Spectroscopy of Mars: Relationship Between ISM and TES for Compositional Determinations

    Science.gov (United States)

    Boyce, Joseph (Technical Monitor); Mustard, John

    2004-01-01

    Reflectance spectroscopy has demonstrated that high albedo surfaces on Mars contain heavily altered materials with some component of hematite, poorly crystalline ferric oxides, and an undefined silicate matrix. The spectral properties of many low albedo regions indicate crystalline basalts containing both low and high calcium pyroxene, a mineralogy consistent with the basaltic SNC meteorites. The Thermal Emission Spectrometer (TES) experiment on the Mars Geochemical Surveyor has acquired critical new data relevant to surface composition and mineralogy, but in a wavelength region that is complementary to reflectance spectroscopy. The essence of the completed research was to analyze TES data in the context of reflectance data obtained by the French ISM imaging spectrometer experiment in 1989. This approach increased our understanding of the complementary nature of these wavelength regions for mineralogic determinations using actual observations of the martian surface. The research effort focused on three regions of scientific importance: Syrtis Major-Isidis Basin, Oxia Palus-Arabia, and Valles Marineris. In each region distinct spatial variations related to reflectance, and in derived mineralogic information and interpreted compositional units were analyzed. In addition, specific science questions related to the composition of volcanics and crustal evolution, soil compositions and pedogenic processes, and the relationship between pristine lithologies and weathering provided an overall science-driven framework for the work. The detailed work plan involved colocation of TES and ISM data, extraction of reflectance and emissivity spectra from areas of known reflectance variability, and quantitative analysis using factor analysis and statistical techniques to determine the degree of correspondence between these different wavelength regions. Identified coherent variations in TES spectroscopy were assessed against known atmospheric effects to validate that the variations

  17. Discrimination methods for biological contaminants in fresh-cut lettuce based on VNIR and NIR hyperspectral imaging

    Science.gov (United States)

    Mo, Changyeun; Kim, Giyoung; Kim, Moon S.; Lim, Jongguk; Lee, Seung Hyun; Lee, Hong-Seok; Cho, Byoung-Kwan

    2017-09-01

    The rapid detection of biological contaminants such as worms in fresh-cut vegetables is necessary to improve the efficiency of visual inspections carried out by workers. Multispectral imaging algorithms were developed using visible-near-infrared (VNIR) and near-infrared (NIR) hyperspectral imaging (HSI) techniques to detect worms in fresh-cut lettuce. The optimal wavebands that can detect worms in fresh-cut lettuce were investigated for each type of HSI using one-way ANOVA. Worm-detection imaging algorithms for VNIR and NIR imaging exhibited prediction accuracies of 97.00% (RI547/945) and 100.0% (RI1064/1176, SI1064-1176, RSI-I(1064-1173)/1064, and RSI-II(1064-1176)/(1064+1176)), respectively. The two HSI techniques revealed that spectral images with a pixel size of 1 × 1 mm or 2 × 2 mm had the best classification accuracy for worms. The results demonstrate that hyperspectral reflectance imaging techniques have the potential to detect worms in fresh-cut lettuce. Future research relating to this work will focus on a real-time sorting system for lettuce that can simultaneously detect various defects such as browning, worms, and slugs.

  18. Probing near-normally propagating bulk acoustic waves using pseudo-reflection geometry Brillouin spectroscopy

    Science.gov (United States)

    Parsons, L. C.; Andrews, G. T.

    2012-09-01

    Pseudo-reflection geometry Brillouin spectroscopy can be used to probe acoustic wave dispersion approximately along the surface normal of a material system while avoiding the difficulties associated with specularly reflected light encountered in an ideal reflection configuration. As an example of its application, we show analytically that it can be used to determine both the refractive index and bulk acoustic mode velocities of optically-isotropic non-metallic materials and confirm the utility of the approach via a series of experiments on fused quartz, gallium phosphide, water, and porous silicon films.

  19. Diffuse Reflectance Spectroscopy of Human Skin Using a Commercial Fiber Optic Spectrometer

    International Nuclear Information System (INIS)

    Atencio, J. A. Delgado; Rodriguez, M. Cunill; Montiel, S. Vazquez y; Castro, Jorge; Rodriguez, A. Cornejo; Gutierrez, J. L.; Martinez, F.; Gutierrez, B.; Orozco, E.

    2008-01-01

    Diffuse reflectance spectroscopy is a reliable and easy to implement technique in human tissue characterization. In this work we evaluate the performance of the commercial USB4000 miniature fiber optic spectrometer in the in-vivo measurement of the diffuse reflectance spectra of different healthy skin sites and lesions in a population of 54 volunteers. Results show, that this spectrometer reproduces well the typical signatures of skin spectra over the 400-1000 nm region. Remarkable spectral differences exist between lesions and normal surrounding skin. A diffusion-based model was used to simulate reflectance spectra collected by the optical probe of the system

  20. Wall reflection modeling for charge exchange recombination spectroscopy (CXRS) measurements on Textor and ITER

    International Nuclear Information System (INIS)

    Banerjee, Santanu; Vasu, P; Von Hellermann, M; Jaspers, R J E

    2010-01-01

    Contamination of optical signals by reflections from the tokamak vessel wall is a matter of great concern. For machines such as ITER and future reactors, where the vessel wall will be predominantly metallic, this is potentially a risk factor for quantitative optical emission spectroscopy. This is, in particular, the case when bremsstrahlung continuum radiation from the bulk plasma is used as a common reference light source for the cross-calibration of visible spectroscopy. In this paper the reflected contribution to the continuum level in Textor and ITER has been estimated for the detection channels meant for charge exchange recombination spectroscopy (CXRS). A model assuming diffuse reflection has been developed for the bremsstrahlung which is a much extended source. Based on this model, it is shown that in the case of ITER upper port 3, a wall with a moderate reflectivity of 20% leads to the wall reflected fraction being as high as 55-60% of the weak signals in the edge channels. In contrast, a complete bidirectional reflectance distribution function (BRDF) based model has been developed in order to estimate the reflections from more localized sources like the charge exchange (CX) emission from a neutral beam in tokamaks. The largest signal contamination of ∼15% is seen in the core CX channels, where the true CX signal level is much lower than that in the edge channels. Similar values are obtained for Textor also. These results indicate that the contributions from wall reflections may be large enough to significantly distort the overall spectral features of CX data, warranting an analysis at different wavelengths.

  1. Wall reflection modeling for charge exchange recombination spectroscopy (CXRS) measurements on Textor and ITER

    Energy Technology Data Exchange (ETDEWEB)

    Banerjee, Santanu; Vasu, P [Institute for Plasma Research, Bhat, Gandhinagar 382 428, Gujarat (India); Von Hellermann, M [FOM Institute for Plasma Physics, Rijnhuizen (Netherlands); Jaspers, R J E, E-mail: sbanerje@ipr.res.i [Applied Physics Department, Eindhoven University of Technology, Eindhoven (Netherlands)

    2010-12-15

    Contamination of optical signals by reflections from the tokamak vessel wall is a matter of great concern. For machines such as ITER and future reactors, where the vessel wall will be predominantly metallic, this is potentially a risk factor for quantitative optical emission spectroscopy. This is, in particular, the case when bremsstrahlung continuum radiation from the bulk plasma is used as a common reference light source for the cross-calibration of visible spectroscopy. In this paper the reflected contribution to the continuum level in Textor and ITER has been estimated for the detection channels meant for charge exchange recombination spectroscopy (CXRS). A model assuming diffuse reflection has been developed for the bremsstrahlung which is a much extended source. Based on this model, it is shown that in the case of ITER upper port 3, a wall with a moderate reflectivity of 20% leads to the wall reflected fraction being as high as 55-60% of the weak signals in the edge channels. In contrast, a complete bidirectional reflectance distribution function (BRDF) based model has been developed in order to estimate the reflections from more localized sources like the charge exchange (CX) emission from a neutral beam in tokamaks. The largest signal contamination of {approx}15% is seen in the core CX channels, where the true CX signal level is much lower than that in the edge channels. Similar values are obtained for Textor also. These results indicate that the contributions from wall reflections may be large enough to significantly distort the overall spectral features of CX data, warranting an analysis at different wavelengths.

  2. Quantifying the VNIR Effects of Nanophase Iron Generated through the Space Weathering of Silicates: Reconciling Modeled Data with Laboratory Observations

    Science.gov (United States)

    Legett, C., IV; Glotch, T. D.; Lucey, P. G.

    2015-12-01

    Space weathering is a diverse set of processes that occur on the surfaces of airless bodies due to exposure to the space environment. One of the effects of space weathering is the generation of nanophase iron particles in glassy rims on mineral grains due to sputtering of iron-bearing minerals. These particles have a size-dependent effect on visible and near infrared (VNIR) reflectance spectra with smaller diameter particles (behavior), while larger particles (> 300 nm) darken without reddening. Between these two sizes, a gradual shift between these two behaviors occurs. In this work, we present results from the Multiple Sphere T-Matrix (MSTM) scattering model in combination with Hapke theory to explore the particle size and iron content parameter spaces with respect to VNIR (700-1700 nm) spectral slope. Previous work has shown that the MSTM-Hapke hybrid model offers improvements over Mie-Hapke models. Virtual particles are constructed out of an arbitrary number of spheres, and each sphere is assigned a refractive index and extinction coefficient for each wavelength of interest. The model then directly solves Maxwell's Equations at every wave-particle interface to predict the scattering, extinction and absorption efficiencies. These are then put into a simplified Hapke bidirectional reflectance model that yields a predicted reflectance. Preliminary results show an area of maximum slopes for iron particle diameters planned to better refine the extent of this region. Companion laboratory work using mixtures of powdered aerogel and nanophase iron particles provides a point of comparison to modeling efforts. The effects on reflectance and emissivity values due to particle size in a nearly ideal scatterer (aerogel) are also observed with comparisons to model data.

  3. Quantification of hemoglobin and its derivatives in oral cancer diagnosis by diffuse reflectance spectroscopy

    Science.gov (United States)

    Kaniyappan, Udayakumar; Gnanatheepam, Einstein; Aruna, Prakasarao; Dornadula, Koteeswaran; Ganesan, Singaravelu

    2017-02-01

    Cancer is one of the most common threat to human beings and it increases at an alarming level around the globe. In recent years, due to the advancements in opto-electronic technology, various optical spectroscopy techniques have emerged to assess the photophysicochemical and morphological conditions of normal and malignant tissues in micro as well as in macroscopic scale. In this regard, diffuse reflectance spectroscopy is considered to be the simplest, cost effective and rapid technique in diagnosis of cancerous tissues. In the present study, the hemoglobin concentration in normal and cancerous oral tissues was quantified and subsequent statistical analysis has been carried out to verify the diagnostic potentiality of the technique.

  4. Analysis of bacteria on steel surfaces using reflectance micro-Fourier transform infrared spectroscopy.

    Science.gov (United States)

    Ojeda, Jesús J; Romero-González, María E; Banwart, Steven A

    2009-08-01

    Reflectance micro-Fourier transform infrared (FT-IR) analysis has been applied to characterize biofilm formation of Aquabacterium commune, a common microorganism present on drinking water distribution systems, onto the increasingly popular pipe material stainless steel EN1.4307. The applicability of the reflectance micro-FT-IR technique for analyzing the bacterial functional groups is discussed, and the results are compared to spectra obtained using more conventional FT-IR techniques: transmission micro-FT-IR, attenuated transmitted reflectance (ATR), and KBr pellets. The differences between the infrared spectra of wet and dried bacteria, as well as free versus attached bacteria, are also discussed. The spectra obtained using reflectance micro-FT-IR spectroscopy were comparable to those obtained using other FT-IR techniques. The absence of sample preparation, the potential to analyze intact samples, and the ability to characterize opaque and thick samples without the need to transfer the bacterial samples to an infrared transparent medium or produce a pure culture were the main advantages of reflectance micro-FT-IR spectroscopy.

  5. [Application of Fourier transform attenuated total reflection infrared spectroscopy in analysis of pulp and paper industry].

    Science.gov (United States)

    Zhang, Yong; Cao, Chun-yu; Feng, Wen-ying; Xu, Ming; Su, Zhen-hua; Liu, Xiao-meng; Lü, Wei-jun

    2011-03-01

    As one of the most powerful tools to investigate the compositions of raw materials and the property of pulp and paper, infrared spectroscopy has played an important role in pulp and paper industry. However, the traditional transmission infrared spectroscopy has not met the requirements of the producing processes because of its disadvantages of time consuming and sample destruction. New technique would be needed to be found. Fourier transform attenuated total reflection infrared spectroscopy (ATR-FTIR) is an advanced spectroscopic tool for nondestructive evaluation and could rapidly, accurately estimate the production properties of each process in pulp and paper industry. The present review describes the application of ATR-FTIR in analysis of pulp and paper industry. The analysis processes will include: pulping, papermaking, environmental protecting, special processing and paper identifying.

  6. Measurement of the enzymes lactate dehydrogenase and creatine kinase using reflectance spectroscopy and reagent strips.

    OpenAIRE

    Stevens, J F; Tsang, W; Newall, R G

    1983-01-01

    Two new methods for the assay of total activities of lactate dehydrogenase and creatine kinase are described, in which the enzyme activities are measured from a solid-state reagent strip during a kinetic reaction, the reaction being monitored in the ultra-violet region of the spectrum by reflectance spectroscopy. The performances of these methods are evaluated, and compared to conventional "wet" chemistry methods. The solid-phase reagent methods demonstrated precision and accuracy acceptable ...

  7. Trasmission and Reflection (ATR)Far-Infrared Spectroscopy Applied in the Analysis of Cultural Heritage Materials

    OpenAIRE

    Kendix, Elsebeth Langholz

    2009-01-01

    FIR spectroscopy is an alternative way of collecting spectra of many inorganic pigments and corrosion products found on art objects, which is not normally observed in the MIR region. Most FIR spectra are traditionally collected in transmission mode but as a real novelty it is now also possible to record FIR spectra in ATR (Attenuated Total Reflectance) mode. In FIR transmission we employ polyethylene (PE) for preparation of pellets by embedding the sample in PE. Unfortunately, ...

  8. Multiple spatially resolved reflection spectroscopy for in vivo determination of carotenoids in human skin and blood

    Science.gov (United States)

    Darvin, Maxim E.; Magnussen, Björn; Lademann, Juergen; Köcher, Wolfgang

    2016-09-01

    Non-invasive measurement of carotenoid antioxidants in human skin is one of the important tasks to investigate the skin physiology in vivo. Resonance Raman spectroscopy and reflection spectroscopy are the most frequently used non-invasive techniques in dermatology and skin physiology. In the present study, an improved method based on multiple spatially resolved reflection spectroscopy (MSRRS) was introduced. The results obtained were compared with those obtained using the ‘gold standard’ resonance Raman spectroscopy method and showed strong correlations for the total carotenoid concentration (R  =  0.83) as well as for lycopene (R  =  0.80). The measurement stability was confirmed to be better than 10% within the total temperature range from 5 °C to  +  30 °C and pressure contact between the skin and the MSRRS sensor from 800 Pa to 18 000 Pa. In addition, blood samples taken from the subjects were analyzed for carotenoid concentrations. The MSRRS sensor was calibrated on the blood carotenoid concentrations resulting in being able to predict with a correlation of R  =  0.79. On the basis of blood carotenoids it could be demonstrated that the MSRRS cutaneous measurements are not influenced by Fitzpatrick skin types I-VI. The MSRRS sensor is commercially available under the brand name biozoom.

  9. Angle-resolved reflection spectroscopy of high-quality PMMA opal crystal

    Science.gov (United States)

    Nemtsev, Ivan V.; Tambasov, Igor A.; Ivanenko, Alexander A.; Zyryanov, Victor Ya.

    2018-02-01

    PMMA opal crystal was prepared by a simple hybrid method, which includes sedimentation, meniscus formation and evaporation. We investigated three surfaces of this crystal by angle-resolved reflective light spectroscopy and SEM study. The angle-resolved reflective measurements were carried out in the 400-1100 nm range. We have determined the high-quality ordered surface of the crystal region. Narrow particle size distribution of the surface has been revealed. The average particle diameter obtained with SEM was nearly 361 nm. The most interesting result was that reflectivity of the surface turned out up to 98% at normal light incidence. Using a fit of dependences of the maximum reflectivity wavelength from an angle based on the Bragg-Snell law, the wavelength of maximum 0° reflectivity, the particle diameter and the fill factor have been determined. For the best surface maximum reflectivity wavelength of a 0° angle was estimated to be 869 nm. The particle diameter and fill factor were calculated as 372 nm and 0.8715, respectively. The diameter obtained by fitting is in excellent agreement with the particle diameter obtained with SEM. The reflectivity maximum is assumed to increase significantly when increasing the fill factor. We believe that using our simple approach to manufacture PMMA opal crystals will significantly increase the fabrication of high-quality photonic crystal templates and thin films.

  10. Prediction of tablets disintegration times using near-infrared diffuse reflectance spectroscopy as a nondestructive method.

    Science.gov (United States)

    Donoso, M; Ghaly, Evone S

    2005-01-01

    The goals of this study are to user near-infrared reflectance (NIR) spectroscopy to measure the disintegration time of a series of tablets compacted at different compressional forces, calibrate NIR data vs. laboratory equipment data, develop a model equation, validate the model, and test the model's predictive ability. Seven theophylline tablet formulations of the same composition but with different disintegration time values (0.224, 1.141, 2.797, 5.492, 9.397, 16.8, and 30.092 min) were prepared along with five placebo tablet formulations with different disintegration times. Laboratory disintegration time was compared to near-infrared diffuse reflectance data. Linear regression, quadratic, cubic, and partial least square techniques were used to determine the relationship between disintegration time and near-infrared spectra. The results demonstrated that an increase in disintegration time produced an increase in near-infrared absorbance. Series of model equations, which depended on the mathematical technique used for regression, were developed from the calibration of disintegration time using laboratory equipment vs. the near-infrared diffuse reflectance for each formulation. The results of NIR disintegration time were similar to laboratory tests. The near-infrared diffuse reflectance spectroscopy method is an alternative nondestructive method for measurement of disintegration time of tablets.

  11. In situ differential reflectance spectroscopy of thin crystalline films of PTCDA on different substrates

    International Nuclear Information System (INIS)

    Proehl, Holger; Nitsche, Robert; Dienel, Thomas; Leo, Karl; Fritz, Torsten

    2005-01-01

    We report an investigation of the excitonic properties of thin crystalline films of the archetypal organic semiconductor PTCDA (3,4,9,10-perylenetetracarboxylic dianhydride) grown on poly- and single crystalline surfaces. A sensitive setup capable of measuring the optical properties of ultrathin organic molecular crystals via differential reflectance spectroscopy (DRS) is presented. This tool allows to carry out measurements in situ, i.e., during the actual film growth, and over a wide spectral range, even on single crystalline surfaces with high symmetry or metallic surfaces, where widely used techniques like reflection anisotropy spectroscopy (RAS) or fluorescence excitation spectroscopy fail. The spectra obtained by DRS resemble mainly the absorption of the films if transparent substrates are used, which simplifies the analysis. In the case of mono- to multilayer films of PTCDA on single crystalline muscovite mica(0001) and Au(111) substrates, the formation of the solid state absorption from monomer to dimer and further to crystal-like absorption spectra can be monitored

  12. Fiber optics reflectance spectroscopy (45°x: 45°) for color analysis of dental composite.

    Science.gov (United States)

    Gargano, Marco; Ludwig, Nicola; Federighi, Veronica; Sykes, Ros; Lodi, Giovanni; Sardella, Andrea; Carrassi, Antonio; Varoni, Elena M

    2016-08-01

    To evaluate the application of a fiber optic reflectance spectroscopy (FORS) prototype probe for 45°x: 45° FORS for determining color of dental materials. A portable spectrophotometer with a highly manageable fiber optics co-axial probe was used to apply 45°x: 45° FORS for color matching in restorative dentistry. The color coordinates in CIELAB space of two dental shade guides and of the corresponding photopolymerized composites were collected and compared. The 45°x: 45° FORS with the co-axial probe (test system), the integrating sphere spectroscopy (reference system) and a commercial dental colorimeter (comparator system) were used to collect data and calculate color differences (ΔE and ΔE00). FORS system displayed high repeatability, reproducibility and accuracy. ΔE and ΔE00 values between the shade-guide, each other, and the corresponding composites resulted above the clinically acceptable limit. The 45°x: 45° FORS test system demonstrated suitable in vitro performance for dental composite color evaluation. 45°x: 45° fiber optic reflectance spectroscopy allows reliable color analysis of small surfaces of dental composites, favoring the color matching of material with the closely surrounding dental tissue, and confirming significant color differences between shade guide tabs and photo-polymerized composites.

  13. VNIR Multispectral Observations of Rocks at Spirit of St. Louis Crater and Marathon Valley on Th Rim of Endeavour Crater Made by the Opportunity Rover Pancam

    Science.gov (United States)

    Farrand, W. H.; Johnson, J. R.; Bell, J. F., III; Mittlefehldt, D.W.

    2016-01-01

    The Mars Exploration Rover Opportunity has been exploring the western rim of the 22 km diameter Endeavour crater since August, 2011. Recently, Opportunity has reached a break in the Endeavour rim that the rover team has named Mara-thon Valley. This is the site where orbital observations from the MRO CRISM imaging spectrometer indicated the presence of iron smectites. On the outer western portion of Marathon Valley, Opportunity explored the crater-form feature dubbed Spirit of St. Louis (SoSL) crater. This presentation describes the 430 to 1009 nm (VNIR) reflectance, measured by the rover's Pancam, of rock units present both at Spirit of St. Louis and within Marathon Valley.

  14. Portable, Fiber-Based, Diffuse Reflection Spectroscopy (DRS) Systems for Estimating Tissue Optical Properties.

    Science.gov (United States)

    Vishwanath, Karthik; Chang, Kevin; Klein, Daniel; Deng, Yu Feng; Chang, Vivide; Phelps, Janelle E; Ramanujam, Nimmi

    2011-02-01

    Steady-state diffuse reflection spectroscopy is a well-studied optical technique that can provide a noninvasive and quantitative method for characterizing the absorption and scattering properties of biological tissues. Here, we compare three fiber-based diffuse reflection spectroscopy systems that were assembled to create a light-weight, portable, and robust optical spectrometer that could be easily translated for repeated and reliable use in mobile settings. The three systems were built using a broadband light source and a compact, commercially available spectrograph. We tested two different light sources and two spectrographs (manufactured by two different vendors). The assembled systems were characterized by their signal-to-noise ratios, the source-intensity drifts, and detector linearity. We quantified the performance of these instruments in extracting optical properties from diffuse reflectance spectra in tissue-mimicking liquid phantoms with well-controlled optical absorption and scattering coefficients. We show that all assembled systems were able to extract the optical absorption and scattering properties with errors less than 10%, while providing greater than ten-fold decrease in footprint and cost (relative to a previously well-characterized and widely used commercial system). Finally, we demonstrate the use of these small systems to measure optical biomarkers in vivo in a small-animal model cancer therapy study. We show that optical measurements from the simple portable system provide estimates of tumor oxygen saturation similar to those detected using the commercial system in murine tumor models of head and neck cancer.

  15. Diffuse reflectance spectroscopy for monitoring diabetic foot ulcer - A pilot study

    Science.gov (United States)

    Anand, Suresh; Sujatha, N.; Narayanamurthy, V. B.; Seshadri, V.; Poddar, Richa

    2014-02-01

    Foot ulceration due to diabetes mellitus is a major problem affecting 12-25% of diabetic subjects in their lifetime. An untreated ulcer further gets infected which causes necrosis leading to amputation of lower extremities. Early identification of risk factors and treatment for these chronic wounds would reduce health care costs and improve the quality of life for people with diabetes. Recent clinical investigations have shown that a series of factors including reduced oxygen delivery and disturbed metabolism have been observed on patients with foot ulceration due to diabetes. Also, these factors can impair the wound healing process. Optical techniques based on diffuse reflectance spectroscopy provide characteristic spectral finger prints shed light on tissue oxygenation levels and morphological composition of a tissue. This study deals with the application of diffuse reflectance intensity ratios based on oxyhemoglobin bands (R542/R580), ratios of oxy- and deoxy-hemoglobin bands (R580/R555), total hemoglobin concentration and hemoglobin oxygen saturation between normal and diabetic foot ulcer sites. Preliminary results obtained are found to be promising indicating the application of reflectance spectroscopy in the assessment of foot ulcer healing.

  16. A library based fitting method for visual reflectance spectroscopy of human skin

    Energy Technology Data Exchange (ETDEWEB)

    Verkruysse, Wim [Beckman Laser Institute, University of California, Irvine, CA 92612 (United States); Zhang Rong [Beckman Laser Institute, University of California, Irvine, CA 92612 (United States); Choi, Bernard [Beckman Laser Institute, University of California, Irvine, CA 92612 (United States); Lucassen, Gerald [Personal Care Institute, Philips Research, Prof Holstlaan 4, Eindhoven (Netherlands); Svaasand, Lars O [Department of Physical Electronics Norwegian University of Science and Technology, N-7491 Trondheim (Norway); Nelson, J Stuart [Beckman Laser Institute, University of California, Irvine, CA 92612 (United States)

    2005-01-07

    The diffuse reflectance spectrum of human skin in the visible region (400-800 nm) contains information on the concentrations of chromophores such as melanin and haemoglobin. This information may be extracted by fitting the reflectance spectrum with an optical diffusion based analytical expression applied to a layered skin model. With the use of the analytical expression, it is assumed that light transport is dominated by scattering. For port wine stain (PWS) and highly pigmented human skin, however, this assumption may not be valid resulting in a potentially large error in visual reflectance spectroscopy (VRS). Monte Carlo based techniques can overcome this problem but are currently too computationally intensive to be combined with previously used fitting procedures. The fitting procedure presented herein is based on a library search which enables the use of accurate reflectance spectra based on forward Monte Carlo simulations or diffusion theory. This allows for accurate VRS to characterize chromophore concentrations in PWS and highly pigmented human skin. The method is demonstrated using both simulated and measured reflectance spectra. An additional advantage of the method is that the fitting procedure is very fast.

  17. A library based fitting method for visual reflectance spectroscopy of human skin

    International Nuclear Information System (INIS)

    Verkruysse, Wim; Zhang Rong; Choi, Bernard; Lucassen, Gerald; Svaasand, Lars O; Nelson, J Stuart

    2005-01-01

    The diffuse reflectance spectrum of human skin in the visible region (400-800 nm) contains information on the concentrations of chromophores such as melanin and haemoglobin. This information may be extracted by fitting the reflectance spectrum with an optical diffusion based analytical expression applied to a layered skin model. With the use of the analytical expression, it is assumed that light transport is dominated by scattering. For port wine stain (PWS) and highly pigmented human skin, however, this assumption may not be valid resulting in a potentially large error in visual reflectance spectroscopy (VRS). Monte Carlo based techniques can overcome this problem but are currently too computationally intensive to be combined with previously used fitting procedures. The fitting procedure presented herein is based on a library search which enables the use of accurate reflectance spectra based on forward Monte Carlo simulations or diffusion theory. This allows for accurate VRS to characterize chromophore concentrations in PWS and highly pigmented human skin. The method is demonstrated using both simulated and measured reflectance spectra. An additional advantage of the method is that the fitting procedure is very fast

  18. A library based fitting method for visual reflectance spectroscopy of human skin

    Science.gov (United States)

    Verkruysse, Wim; Zhang, Rong; Choi, Bernard; Lucassen, Gerald; Svaasand, Lars O.; Nelson, J. Stuart

    2005-01-01

    The diffuse reflectance spectrum of human skin in the visible region (400-800 nm) contains information on the concentrations of chromophores such as melanin and haemoglobin. This information may be extracted by fitting the reflectance spectrum with an optical diffusion based analytical expression applied to a layered skin model. With the use of the analytical expression, it is assumed that light transport is dominated by scattering. For port wine stain (PWS) and highly pigmented human skin, however, this assumption may not be valid resulting in a potentially large error in visual reflectance spectroscopy (VRS). Monte Carlo based techniques can overcome this problem but are currently too computationally intensive to be combined with previously used fitting procedures. The fitting procedure presented herein is based on a library search which enables the use of accurate reflectance spectra based on forward Monte Carlo simulations or diffusion theory. This allows for accurate VRS to characterize chromophore concentrations in PWS and highly pigmented human skin. The method is demonstrated using both simulated and measured reflectance spectra. An additional advantage of the method is that the fitting procedure is very fast.

  19. Real-time reflectance-difference spectroscopy of GaAs molecular beam epitaxy homoepitaxial growth

    Energy Technology Data Exchange (ETDEWEB)

    Lastras-Martínez, A., E-mail: alm@cactus.iico.uaslp.mx, E-mail: alastras@gmail.com; Ortega-Gallegos, J.; Guevara-Macías, L. E.; Nuñez-Olvera, O.; Balderas-Navarro, R. E.; Lastras-Martínez, L. F. [Instituto de Investigación en Comunicación Optica, Universidad Autónoma de San Luis Potosí, Alvaro Obregón 64, San Luis Potosí, SLP 78000 (Mexico); Lastras-Montaño, L. A. [IBM T. J. Watson Research Center, Yorktown Heights, New York 10598 (United States); Lastras-Montaño, M. A. [Department of Electrical and Computer Engineering, University of California, Santa Barbara, Santa Barbara, California 93106 (United States)

    2014-03-01

    We report on real time-resolved Reflectance-difference (RD) spectroscopy of GaAs(001) grown by molecular beam epitaxy, with a time-resolution of 500 ms per spectrum within the 2.3–4.0 eV photon energy range. Through the analysis of transient RD spectra we demonstrated that RD line shapes are comprised of two components with different physical origins and determined their evolution during growth. Such components were ascribed to the subsurface strain induced by surface reconstruction and to surface stoichiometry. Results reported in this paper render RD spectroscopy as a powerful tool for the study of fundamental processes during the epitaxial growth of zincblende semiconductors.

  20. Real-time reflectance-difference spectroscopy of GaAs molecular beam epitaxy homoepitaxial growth

    Directory of Open Access Journals (Sweden)

    A. Lastras-Martínez

    2014-03-01

    Full Text Available We report on real time-resolved Reflectance-difference (RD spectroscopy of GaAs(001 grown by molecular beam epitaxy, with a time-resolution of 500 ms per spectrum within the 2.3–4.0 eV photon energy range. Through the analysis of transient RD spectra we demonstrated that RD line shapes are comprised of two components with different physical origins and determined their evolution during growth. Such components were ascribed to the subsurface strain induced by surface reconstruction and to surface stoichiometry. Results reported in this paper render RD spectroscopy as a powerful tool for the study of fundamental processes during the epitaxial growth of zincblende semiconductors.

  1. Phthalocyanine identification in paintings by reflectance spectroscopy. A laboratory and in situ study

    Science.gov (United States)

    Poldi, G.; Caglio, S.

    2013-06-01

    The importance of identifying pigments using non invasive (n.i.) analyses has gained increasing importance in the field of spectroscopy applied to art conservation and art studies. Among the large set of pigments synthesized and marketed during 20th century, surely phthalocyanine blue and green pigments occupy an important role in the field of painting (including restoration) and printing, thanks to their characteristics like brightness and fastness. This research focused on the most used phthalocyanine blue (PB15:1 and PB15:3) and green pigments (PG7), and on the possibility to identify these organic compounds using a methodology like reflectance spectroscopy in the UV, visible and near IR range (UV-vis-NIR RS), performed easily through portable instruments. Laboratory tests and three examples carried out on real paintings are discussed.

  2. Measurement of the enzymes lactate dehydrogenase and creatine kinase using reflectance spectroscopy and reagent strips.

    Science.gov (United States)

    Stevens, J F; Tsang, W; Newall, R G

    1983-01-01

    Two new methods for the assay of total activities of lactate dehydrogenase and creatine kinase are described, in which the enzyme activities are measured from a solid-state reagent strip during a kinetic reaction, the reaction being monitored in the ultra-violet region of the spectrum by reflectance spectroscopy. The performances of these methods are evaluated, and compared to conventional "wet" chemistry methods. The solid-phase reagent methods demonstrated precision and accuracy acceptable for diagnostic purposes, and were easy to use by trained operators. PMID:6655069

  3. The Bone Black Pigment Identification by Noninvasive, In Situ Infrared Reflection Spectroscopy

    Directory of Open Access Journals (Sweden)

    Alessia Daveri

    2018-01-01

    Full Text Available Two real case studies, an oil painting on woven paper and a cycle of mural paintings, have been presented to validate the use of infrared reflection spectroscopy as suitable technique for the identification of bone black pigment. By the use of the sharp weak band at 2013 cm−1, it has been possible to distinguish animal carbon-based blacks by a noninvasive method. Finally, an attempt for an eventual assignment for the widely used sharp band at 2013 cm−1 is discussed.

  4. Design and Fabrication of a Real-Time Measurement System for the Capsaicinoid Content of Korean Red Pepper (Capsicum annuum L. Powder by Visible and Near-Infrared Spectroscopy

    Directory of Open Access Journals (Sweden)

    Jongguk Lim

    2015-10-01

    Full Text Available This research aims to design and fabricate a system to measure the capsaicinoid content of red pepper powder in a non-destructive and rapid method using visible and near infrared spectroscopy (VNIR. The developed system scans a well-leveled powder surface continuously to minimize the influence of the placenta distribution, thus acquiring stable and representative reflectance spectra. The system incorporates flat belts driven by a sample input hopper and stepping motor, a powder surface leveler, charge-coupled device (CCD image sensor-embedded VNIR spectrometer, fiber optic probe, and tungsten halogen lamp, and an automated reference measuring unit with a reference panel to measure the standard spectrum. The operation program includes device interface, standard reflectivity measurement, and a graphical user interface to measure the capsaicinoid content. A partial least square regression (PLSR model was developed to predict the capsaicinoid content; 44 red pepper powder samples whose measured capsaicinoid content ranged 13.45–159.48 mg/100 g by per high-performance liquid chromatography (HPLC and 1242 VNIR absorbance spectra acquired by the pungency measurement system were used. The determination coefficient of validation (RV2 and standard error of prediction (SEP for the model with the first-order derivative pretreatment method for Korean red pepper powder were 0.8484 and ±13.6388 mg/100 g, respectively.

  5. Design and Fabrication of a Real-Time Measurement System for the Capsaicinoid Content of Korean Red Pepper (Capsicum annuum L.) Powder by Visible and Near-Infrared Spectroscopy.

    Science.gov (United States)

    Lim, Jongguk; Kim, Giyoung; Mo, Changyeun; Kim, Moon S

    2015-10-29

    This research aims to design and fabricate a system to measure the capsaicinoid content of red pepper powder in a non-destructive and rapid method using visible and near infrared spectroscopy (VNIR). The developed system scans a well-leveled powder surface continuously to minimize the influence of the placenta distribution, thus acquiring stable and representative reflectance spectra. The system incorporates flat belts driven by a sample input hopper and stepping motor, a powder surface leveler, charge-coupled device (CCD) image sensor-embedded VNIR spectrometer, fiber optic probe, and tungsten halogen lamp, and an automated reference measuring unit with a reference panel to measure the standard spectrum. The operation program includes device interface, standard reflectivity measurement, and a graphical user interface to measure the capsaicinoid content. A partial least square regression (PLSR) model was developed to predict the capsaicinoid content; 44 red pepper powder samples whose measured capsaicinoid content ranged 13.45-159.48 mg/100 g by per high-performance liquid chromatography (HPLC) and 1242 VNIR absorbance spectra acquired by the pungency measurement system were used. The determination coefficient of validation (RV2) and standard error of prediction (SEP) for the model with the first-order derivative pretreatment method for Korean red pepper powder were 0.8484 and ±13.6388 mg/100 g, respectively.

  6. Reflectance spectroscopy of PMMA implanted with 50 keV silicon ions

    Energy Technology Data Exchange (ETDEWEB)

    Florian, Bojana [Bulgarian Institute of Metrology, 2 Prof. P. Mutafchiev Str., 1797 Sofia (Bulgaria); Stefanov, Ivan [Department of Quantum Electronics, Faculty of Physics, Sofia University, 5 James Bourchier Blvd., 1164 Sofia (Bulgaria); Hadjichristov, Georgi [Institute of Solid State Physics, 72 Tzarigradsko Chaussee Blvd., 1784 Sofia (Bulgaria)

    2009-07-01

    Recently, the modification of the specular reflectivity of PMMA implanted with low-energy (50 keV) silicon ions was studied and nano-clusters formed in PMMA by Si{sup +} implantation were evidenced by Raman spectroscopy and electrical measurements. Further, the optical loss due to off-specular (diffuse) reflectivity of this ion-implanted polymer is also of practical interest for applications such as micro-optical lenses, diffraction gratings, Fresnel lenses, waveguides, etc. We examined both specular and diffuse reflectivity of Si{sup +} implanted PMMA in the UV-Vis-NIR. The effect from Si{sup +} implantation in the dose range 10{sup 14}-10{sup 17} ions/cm{sup 2} is linked to the structure formed in PMMA where the buried ion-implanted layer has a thickness up to 100 nm. As compared to the pristine PMMA, an enhancement of the reflectivity of Si{sup +} implanted PMMA is observed, that is attributed to the modification of the subsurface region of PMMA upon the ion implantation.

  7. Exploring the Role of the Spatial Characteristics of Visible and Near-Infrared Reflectance in Predicting Soil Organic Carbon Density

    Directory of Open Access Journals (Sweden)

    Long Guo

    2017-10-01

    Full Text Available Soil organic carbon stock plays a key role in the global carbon cycle and the precision agriculture. Visible and near-infrared reflectance spectroscopy (VNIRS can directly reflect the internal physical construction and chemical substances of soil. The partial least squares regression (PLSR is a classical and highly commonly used model in constructing soil spectral models and predicting soil properties. Nevertheless, using PLSR alone may not consider soil as characterized by strong spatial heterogeneity and dependence. However, considering the spatial characteristics of soil can offer valuable spatial information to guarantee the prediction accuracy of soil spectral models. Thus, this study aims to construct a rapid and accurate soil spectral model in predicting soil organic carbon density (SOCD with the aid of the spatial autocorrelation of soil spectral reflectance. A total of 231 topsoil samples (0–30 cm were collected from the Jianghan Plain, Wuhan, China. The spectral reflectance (350–2500 nm was used as auxiliary variable. A geographically-weighted regression (GWR model was used to evaluate the potential improvement of SOCD prediction when the spatial information of the spectral features was considered. Results showed that: (1 The principal components extracted from PLSR have a strong relationship with the regression coefficients at the average sampling distance (300 m based on the Moran’s I values. (2 The eigenvectors of the principal components exhibited strong relationships with the absorption spectral features, and the regression coefficients of GWR varied with the geographical locations. (3 GWR displayed a higher accuracy than that of PLSR in predicting the SOCD by VNIRS. This study aimed to help people realize the importance of the spatial characteristics of soil properties and their spectra. This work also introduced guidelines for the application of GWR in predicting soil properties by VNIRS.

  8. Measurement of the band gap by reflection electron energy loss spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Vos, Maarten, E-mail: maarten.vos@anu.edu.au [Electronic Materials Engineering Department, Research School of Physics and Engineering, The Australian National University, Canberra 0200 (Australia); King, Sean W. [Logic Technology Development, Intel Corporation, Hillsboro, OR 97124 (United States); French, Benjamin L. [Ocotillo Materials Laboratory, Intel Corporation, Chandler, AZ 85248 (United States)

    2016-10-15

    Highlights: • Semiconductors are measured (without surface preparation) using REELS. • At low beam energies it is difficult to measure band gap due to surface impurities. • At very high energies it is difficult to measure band gap due to recoil effect. • At intermediate energies (around 5 keV) one obtains a good estimate of the band gap. - Abstract: We investigate the possibilities of measuring the band gap of a variety of semiconductors and insulators by reflection electron energy loss spectroscopy without additional surface preparation. The band gap is a bulk property, whereas reflection energy loss spectroscopy is generally considered a surface sensitive technique. By changing the energy of the incoming electrons, the degree of surface sensitivity can be varied. Here, we present case studies to determine the optimum condition for the determination of the band gap. At very large incoming electron energies recoil effects interfere with the band gap determination, whereas at very low energies surface effects are obscuring the band gap without surface preparation. Using an incoming energy of 5 keV a reasonable estimate of the band gap is obtained in most cases.

  9. Determination of soil content in chlordecone (organochlorine pesticide) using near infrared reflectance spectroscopy (NIRS)

    Energy Technology Data Exchange (ETDEWEB)

    Brunet, Didier, E-mail: didier.brunet@ird.f [IRD - Institut de Recherche pour le Developpement, UMR Eco and Sols (Ecologie Fonctionnelle et Biogeochimie des Sols), Montpellier SupAgro, Batiment 12, 2 place Viala, 34060 Montpellier Cedex 1 (France); Woignier, Thierry [IRD, UMR Eco and Sols, PRAM (Pole de Recherche Agronomique de la Martinique), BP 213, Petit Morne, 97232 Le Lamentin, Martinique (French West Indies) (France); CNRS - Centre National de la Recherche Scientifique, Universite Montpellier 2, place Eugene Bataillon, 34095 Montpellier Cedex 5 (France); Lesueur-Jannoyer, Magalie; Achard, Raphael [CIRAD (Centre de Cooperation Internationale en Recherche Agronomique pour le Developpement), PRAM, BP 213, Petit Morne, 97232 Le Lamentin, Martinique (French West Indies) (France); Rangon, Luc [IRD, UMR Eco and Sols, PRAM (Pole de Recherche Agronomique de la Martinique), BP 213, Petit Morne, 97232 Le Lamentin, Martinique (French West Indies) (France); Barthes, Bernard G. [IRD - Institut de Recherche pour le Developpement, UMR Eco and Sols (Ecologie Fonctionnelle et Biogeochimie des Sols), Montpellier SupAgro, Batiment 12, 2 place Viala, 34060 Montpellier Cedex 1 (France)

    2009-11-15

    Chlordecone is a toxic organochlorine insecticide that was used in banana plantations until 1993 in the French West Indies. This study aimed at assessing the potential of near infrared reflectance spectroscopy (NIRS) for determining chlordecone content in Andosols, Nitisols and Ferralsols from Martinique. Using partial least square regression, chlordecone content conventionally determined through gas chromatography-mass spectrometry could be correctly predicted by NIRS (Q{sup 2} = 0.75, R{sup 2} = 0.82 for the total set), especially for samples with chlordecone content <12 mg kg{sup -1} or when the sample set was rather homogeneous (Q{sup 2} = 0.91, R{sup 2} = 0.82 for the Andosols). Conventional measures and NIRS predictions were poorly correlated for chlordecone content >12 mg kg{sup -1}, nevertheless ca. 80% samples were correctly predicted when the set was divided into three or four classes of chlordecone content. Thus NIRS could be considered a time- and cost-effective method for characterising soil contamination by chlordecone. - Soil content in chlordecone, an organochlorine insecticide, can be determined time- and cost-effectively using near infrared reflectance spectroscopy (NIRS).

  10. UV-Vis reflection spectroscopy under variable angle incidence at the air-liquid interface.

    Science.gov (United States)

    Roldán-Carmona, Cristina; Rubia-Payá, Carlos; Pérez-Morales, Marta; Martín-Romero, María T; Giner-Casares, Juan J; Camacho, Luis

    2014-03-07

    The UV-Vis reflection spectroscopy (UV-Vis-RS) in situ at the air-liquid interface provides information about tilt and aggregation of chromophores in Langmuir monolayers. This information is particularly important given in most cases the chromophore is located at the polar region of the Langmuir monolayer. This region of the Langmuir monolayers has been hardly accessible by other experimental techniques. In spite of its enormous potential, the application of UV-Vis-RS has been limited mainly to reflection measurements under light normal incidence or at lower incidence angles than the Brewster angle. Remarkably, this technique is quite sensitive to the tilt of the chromophores at values of incidence angles close to or larger than the Brewster angle. Therefore, a novel method to obtain the order parameter of the chromophores at the air-liquid interface by using s- and p-polarized radiation at different incidence angles is proposed. This method allowed for the first time the experimental observation of the two components with different polarization properties of a single UV-Vis band at the air-liquid interface. The method of UV-Vis spectroscopy under variable angle incidence is presented as a new tool for obtaining rich detailed information on Langmuir monolayers.

  11. Determination of soil content in chlordecone (organochlorine pesticide) using near infrared reflectance spectroscopy (NIRS)

    International Nuclear Information System (INIS)

    Brunet, Didier; Woignier, Thierry; Lesueur-Jannoyer, Magalie; Achard, Raphael; Rangon, Luc; Barthes, Bernard G.

    2009-01-01

    Chlordecone is a toxic organochlorine insecticide that was used in banana plantations until 1993 in the French West Indies. This study aimed at assessing the potential of near infrared reflectance spectroscopy (NIRS) for determining chlordecone content in Andosols, Nitisols and Ferralsols from Martinique. Using partial least square regression, chlordecone content conventionally determined through gas chromatography-mass spectrometry could be correctly predicted by NIRS (Q 2 = 0.75, R 2 = 0.82 for the total set), especially for samples with chlordecone content -1 or when the sample set was rather homogeneous (Q 2 = 0.91, R 2 = 0.82 for the Andosols). Conventional measures and NIRS predictions were poorly correlated for chlordecone content >12 mg kg -1 , nevertheless ca. 80% samples were correctly predicted when the set was divided into three or four classes of chlordecone content. Thus NIRS could be considered a time- and cost-effective method for characterising soil contamination by chlordecone. - Soil content in chlordecone, an organochlorine insecticide, can be determined time- and cost-effectively using near infrared reflectance spectroscopy (NIRS).

  12. FORS, Fiber Optics Reflectance Spectroscopy con gli spettrometri miniaturizzati per l’identificazione dei pigmenti

    Directory of Open Access Journals (Sweden)

    Antonino Cosentino

    2014-01-01

    Full Text Available AbstractQuesto articolo riporta i risultati del test di un sistema FORS (Fiber Optics Reflectance Spectroscopy assemblato con componenti Ocean Optics. Questa ditta ha sviluppato una linea di spettrometri miniaturizzati e dal costo estremamente contenuto. Le trascurabili dimensioni e peso di questo sistema FORS lo rendono uno strumento assolutamente adatto alle indagini dell’arte in cantiere. Sono stati testati 54 pigmenti storici in polvere e stesi con gomma arabica, tempera all’uovo, olio e affresco. Il sistema è stato provato su un quadro dell’800 e su opere murali del barocco siciliano.   This paper shows the results of the testing of a FORS (Fiber Optics Reflectance Spectroscopy system assembled with Ocean Optics components and featuring a USB4000 miniaturized and low cost spectrometer. The small dimensions and little weight of this FORS system make it adapt for the specific needs of art examination in the field. 54 historical pigments have been tested both in powder and laid with gum Arabic, egg tempera, linseed oil and fresco. The FORS system was also tested on a 1800s oil painting and on 1700s Sicilian baroque murals and the results compared with multispectral imaging analysis.   

  13. Portable laser-induced breakdown spectroscopy/diffuse reflectance hybrid spectrometer for analysis of inorganic pigments

    Science.gov (United States)

    Siozos, Panagiotis; Philippidis, Aggelos; Anglos, Demetrios

    2017-11-01

    A novel, portable spectrometer, combining two analytical techniques, laser-induced breakdown spectroscopy (LIBS) and diffuse reflectance spectroscopy, was developed with the aim to provide an enhanced instrumental and methodological approach with regard to the analysis of pigments in objects of cultural heritage. Technical details about the hybrid spectrometer and its operation are presented and examples are given relevant to the analysis of paint materials. Both LIBS and diffuse reflectance spectra in the visible and part of the near infrared, corresponding to several neat mineral pigment samples, were recorded and the complementary information was used to effectively distinguish different types of pigments even if they had similar colour or elemental composition. The spectrometer was also employed in the analysis of different paints on the surface of an ancient pottery sherd demonstrating the capabilities of the proposed hybrid diagnostic approach. Despite its instrumental simplicity and compact size, the spectrometer is capable of supporting analytical campaigns relevant to archaeological, historical or art historical investigations, particularly when quick data acquisition is required in the context of surveys of large numbers of objects and samples.

  14. Measurement of the band gap by reflection electron energy loss spectroscopy

    International Nuclear Information System (INIS)

    Vos, Maarten; King, Sean W.; French, Benjamin L.

    2016-01-01

    Highlights: • Semiconductors are measured (without surface preparation) using REELS. • At low beam energies it is difficult to measure band gap due to surface impurities. • At very high energies it is difficult to measure band gap due to recoil effect. • At intermediate energies (around 5 keV) one obtains a good estimate of the band gap. - Abstract: We investigate the possibilities of measuring the band gap of a variety of semiconductors and insulators by reflection electron energy loss spectroscopy without additional surface preparation. The band gap is a bulk property, whereas reflection energy loss spectroscopy is generally considered a surface sensitive technique. By changing the energy of the incoming electrons, the degree of surface sensitivity can be varied. Here, we present case studies to determine the optimum condition for the determination of the band gap. At very large incoming electron energies recoil effects interfere with the band gap determination, whereas at very low energies surface effects are obscuring the band gap without surface preparation. Using an incoming energy of 5 keV a reasonable estimate of the band gap is obtained in most cases.

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

    Science.gov (United States)

    Agatonovic-Kustrin, Snezana; Morton, David W

    2012-07-01

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

  16. CO Adsorption and Oxidation at the Catalyst-Water Interface: An Investigation by Attenuated Total Reflection Infrared Spectroscopy.

    NARCIS (Netherlands)

    Ebbesen, S.D.; Mojet, Barbara; Lefferts, Leonardus

    2006-01-01

    Adsorption of carbon monoxide and oxidation of preadsorbed carbon monoxide from gas and aqueous phases were studied on a platinum catalyst deposited on a ZnSe internal reflection element (IRE) using attenuated total reflection infrared (ATR-IR) spectroscopy. The results of this study convincingly

  17. Prediction of pH of fresh chicken breast fillets by VNIR hyperspectral imaging

    Science.gov (United States)

    Visible and near-infrared (VNIR) hyperspectral imaging (400–900 nm) was used to evaluate pH of fresh chicken breast fillets (pectoralis major muscle) from the bone (dorsal) side of individual fillets. After the principal component analysis (PCA), a band threshold method was applied to the first prin...

  18. On the prediction of threshold friction velocity of wind erosion using soil reflectance spectroscopy

    Science.gov (United States)

    Li, Junran; Flagg, Cody B.; Okin, Gregory S.; Painter, Thomas H.; Dintwe, Kebonye; Belnap, Jayne

    2015-01-01

    Current approaches to estimate threshold friction velocity (TFV) of soil particle movement, including both experimental and empirical methods, suffer from various disadvantages, and they are particularly not effective to estimate TFVs at regional to global scales. Reflectance spectroscopy has been widely used to obtain TFV-related soil properties (e.g., moisture, texture, crust, etc.), however, no studies have attempted to directly relate soil TFV to their spectral reflectance. The objective of this study was to investigate the relationship between soil TFV and soil reflectance in the visible and near infrared (VIS–NIR, 350–2500 nm) spectral region, and to identify the best range of wavelengths or combinations of wavelengths to predict TFV. Threshold friction velocity of 31 soils, along with their reflectance spectra and texture were measured in the Mojave Desert, California and Moab, Utah. A correlation analysis between TFV and soil reflectance identified a number of isolated, narrow spectral domains that largely fell into two spectral regions, the VIS area (400–700 nm) and the short-wavelength infrared (SWIR) area (1100–2500 nm). A partial least squares regression analysis (PLSR) confirmed the significant bands that were identified by correlation analysis. The PLSR further identified the strong relationship between the first-difference transformation and TFV at several narrow regions around 1400, 1900, and 2200 nm. The use of PLSR allowed us to identify a total of 17 key wavelengths in the investigated spectrum range, which may be used as the optimal spectral settings for estimating TFV in the laboratory and field, or mapping of TFV using airborne/satellite sensors.

  19. Monitoring the in-situ oxide growth on uranium by ultraviolet-visible reflectance spectroscopy

    Science.gov (United States)

    Schweke, Danielle; Maimon, Chen; Chernia, Zelig; Livneh, Tsachi

    2012-11-01

    We demonstrate the in-situ monitoring of oxide growth on U-0.1 wt. % Cr by means of UV-visible reflectance spectroscopy in the thickness range of ˜20-150 nm. Two different approaches are presented: In the "modeling approach," we employ a model for a metallic substrate covered by a dielectric layer, while taking into account the buildup of oxygen gradient and surface roughness. Then, we fit the simulated spectra to the experimental one. In the "extrema analysis," we derive an approximated analytical expression, which relates the oxide thickness to the position of the extrema in the reflectance spectra based on the condition for optical interference of the reflected light. Good agreement is found between the values extracted by the two procedures. Activation energy of ˜21 kcal/mole was obtained by monitoring the oxide growth in the temperature range of 22-90 °C. The upper bound for the thickness determination is argued to be mostly dictated by cracking and detachment processes in the formed oxide.

  20. Identification of cattle, llama and horse meat by near infrared reflectance or transflectance spectroscopy.

    Science.gov (United States)

    Mamani-Linares, L W; Gallo, C; Alomar, D

    2012-02-01

    Visible and near infrared reflectance spectroscopy (VIS-NIRS) was used to discriminate meat and meat juices from three livestock species. In a first trial, samples of Longissimus lumborum muscle, corresponding to beef (31) llamas (21) and horses (27), were homogenised and their spectra collected in reflectance (NIRSystems 6500 scanning monochromator, in the range of 400-2500 nm). In the second trial, samples of meat juice (same muscle) from the same species (20 beef, 19 llama and 19 horse) were scanned in folded transmission (transflectance). Discriminating models (PLS regression) were developed against "dummy" variables, testing different mathematical treatments of the spectra. Best models indentified the species of almost all samples by their meat (reflectance) or meat juice (transflectance) spectra. A few (three of beef and one of llama, for meat samples; one of beef and one of horse, for juice samples) were classified as uncertain. It is concluded that NIRS is an effective tool to recognise meat and meat juice from beef, llama and horses. Copyright © 2011 Elsevier Ltd. All rights reserved.

  1. Identification of natural red and purple dyes on textiles by Fiber-optics Reflectance Spectroscopy.

    Science.gov (United States)

    Maynez-Rojas, M A; Casanova-González, E; Ruvalcaba-Sil, J L

    2017-05-05

    Understanding dye chemistry and dye processes is an important issue for studies of cultural heritage collections and science conservation. Fiber Optics Reflectance Spectroscopy (FORS) is a powerful technique, which allows preliminary dye identification, causing no damage or mechanical stress on the artworks subjected to analysis. Some information related to specific light scattering and absorption can be obtained in the UV-visible and infrared range (300-1400nm) and it is possible to discriminate the kind of support fiber in the near infrared region (1000-2500nm). The main spectral features of natural dye fibers samples, such as reflection maxima, inflection points and reflection minima, can be used in the differentiation of various red natural dyes. In this work, a set of dyed references were manufactured following Mexican recipes with red dyes (cochineal and brazilwood) in order to determine the characteristic FORS spectral features of fresh and aged dyed fibers for their identification in historical pieces. Based on these results, twenty-nine indigenous textiles belonging to the National Commission for the Development of Indigenous People of Mexico were studied. Cochineal and brazilwood were successfully identified by FORS in several pieces, as well as the mixture of cochineal and indigo for purple color. Copyright © 2017 Elsevier B.V. All rights reserved.

  2. Far-infrared reflection-absorption spectroscopy of amorphous and polycrystalline gallium arsenide films

    International Nuclear Information System (INIS)

    Gregory, J.R.

    1992-01-01

    We have reported far-infrared reflection absorption spectra (30-320CM -1 ) at 30 and 310K for nine films of non-stoichiometric GaAs. The FIRRAS measurements were performed using the grazing incidence FIR double-modulation spectroscopy technique first described by DaCosta and Coleman. The films were fabricated by molecular beam deposition on metallized substrates for two As/Ga molecular beam flux ratios. The films were characterized by depth profilometry, IRAS, XRD, and x-ray microprobe analysis. Film thicknesses ranged from 800 to 5800 angstrom and compositions were 45-50% As for a MB flux ratio of 0.29 and 60-70% As for a ratio of 1.12. FIRRAS measurements were made and characterizations performed for as-deposited films and for 5 hour anneals at 473, 573, 673 and 723 degrees C. Vibrational spectra of the crystallized films were interpreted in terms of the exact reflectivity of a thin dielectric film on a conducting substrate, using a classical Lorentzian dielectric function for the response of the film. Resonances appearing in the open-quote forbidden close-quote region between the TO and LO frequencies were modelled with an effective medium approximation and are interpreted as arising from small-scale surface roughness. The behavior of the amorphous film spectra were examined within two models. The effective force constant model describes the variation of the reflection-absorption maxima with measured crystallite size in terms of the effective vibration frequency of 1-D atomic chains having force constants distributed according to the parameters of the crystalline-to-amorphous relaxation length and the crystalline to amorphous force constant ratio. The dielectric function continuum model uses the relaxation of the crystal momentum selection rule to calculate the reflection-absorption spectrum based on a dielectric function in which the oscillator strength is the normalized product of a constant dipole strength and the smoothed vibrational density of states

  3. Evaluation of apparent viscosity of Para rubber latex by diffuse reflection near-infrared spectroscopy.

    Science.gov (United States)

    Sirisomboon, Panmanas; Chowbankrang, Rawiphan; Williams, Phil

    2012-05-01

    Near-infrared spectroscopy in diffuse reflection mode was used to evaluate the apparent viscosity of Para rubber field latex and concentrated latex over the wavelength range of 1100 to 2500 nm, using partial least square regression (PLSR). The model with ten principal components (PCs) developed using the raw spectra accurately predicted the apparent viscosity with correlation coefficient (r), standard error of prediction (SEP), and bias of 0.974, 8.6 cP, and -0.4 cP, respectively. The ratio of the SEP to the standard deviation (RPD) and the ratio of the SEP to the range (RER) for the prediction were 4.4 and 16.7, respectively. Therefore, the model can be used for measurement of the apparent viscosity of field latex and concentrated latex in quality assurance and process control in the factory.

  4. Rapid biochemical methane potential prediction of urban organic waste with near-infrared reflectance spectroscopy

    DEFF Research Database (Denmark)

    Fitamo, Temesgen Mathewos; Triolo, Jin Mi; Boldrin, Alessio

    2017-01-01

    . The aim of the present study is to develop a fast and reliable model based on near-infrared reflectance spectroscopy (NIRS) for the BMP prediction of urban organic waste (UOW). The model comprised 87 UOW samples. Additionally, 88 plant biomass samples were included, to develop a combined model predicting...... BMP. The coefficient of determination (R2) and root mean square error in prediction (RMSEP) of the UOW model were 0.88 and 44 mL CH4/g VS, while the combined model was 0.89 and 50 mL CH4/g VS. Improved model performance was obtained for the two individual models compared to the combined version...

  5. Andreev Reflection Spectroscopy of Nb-doped Bi2Se3 Topological Insulator

    Science.gov (United States)

    Kurter, C.; Finck, A. D. K.; Qiu, Y.; Huemiller, E.; Weis, A.; Atkinson, J.; Medvedeva, J.; Hor, Y. S.; van Harlingen, D. J.

    2015-03-01

    Doped topological insulators are speculated to realize p-wave superconductivity with unusual low energy quasiparticles, such as surface Andreev bound states. We present point contact spectroscopy of thin exfoliated flakes of Nb-doped Bi2Se3 where superconductivity persists up to ~ 1 K, compared to 3.2 K in bulk crystals. The critical magnetic field is strongly anisotropic, consistent with quasi-2D behavior. Andreev reflection measurements of devices with low resistance contacts result in prominent BTK-like behavior with an enhanced conductance plateau at low bias. For high resistance contacts, we observe a split zero bias conductance anomaly and additional features at the superconducting gap. Our results suggest that this material is a promising platform for studying topological superconductivity. We acknowledge support from Microsoft Project Q.

  6. Experimental analysis of bruises in human volunteers using radiometric depth profiling and diffuse reflectance spectroscopy

    Science.gov (United States)

    Vidovič, Luka; Milanič, Matija; Majaron, Boris

    2015-07-01

    We combine pulsed photothermal radiometry (PPTR) depth profiling with diffuse reflectance spectroscopy (DRS) measurements for a comprehensive analysis of bruise evolution in vivo. While PPTR enables extraction of detailed depth distribution and concentration profiles of selected absorbers (e.g. melanin, hemoglobin), DRS provides information in a wide range of visible wavelengths and thus offers an additional insight into dynamics of the hemoglobin degradation products. Combining the two approaches enables us to quantitatively characterize bruise evolution dynamics. Our results indicate temporal variations of the bruise evolution parameters in the course of bruise self-healing process. The obtained parameter values and trends represent a basis for a future development of an objective technique for bruise age determination.

  7. Analysis of hemodynamics in human skin using photothermal radiometry and diffuse reflectance spectroscopy

    Science.gov (United States)

    Verdel, Nina; Marin, Ana; Vidovič, Luka; Milanič, Matija; Majaron, Boris

    2017-07-01

    We present a novel methodology for quantitative analysis of hemodynamics in human skin in vivo. Our approach combines pulsed photothermal radiometry (i.e., time-resolved measurements of midinfrared emission from sample surface after exposure to a short light pulse) and diffuse reflectance spectroscopy in visible part of the spectrum. Experimental data are fitted with predictions of a numerical model of light transport in a four-layer skin model (i.e., inverse Monte Carlo), which allows assessment of the layer thicknesses, chromophore contents (e.g., melanin, oxy- and deoxy-hemoglobin), as well as scattering properties. The performance is tested in comparison analysis of healthy skin before and during application of a blood pressure cuff (at 200 mm Hg) for 5 minutes.

  8. Using reflectance anisotropy spectroscopy to characterize capped silver nanostructures grown on silicon

    Energy Technology Data Exchange (ETDEWEB)

    Fleischer, K.; Jacob, J.; McGilp, J.F. [School of Physics, Trinity College Dublin, Dublin 2 (Ireland); Chandola, S. [School of Physics, Trinity College Dublin, Dublin 2 (Ireland); ISAS - Institute for Analytical Sciences, Department Berlin, Albert-Einstein-Strasse 9, 12489 Berlin (Germany); Esser, N. [ISAS - Institute for Analytical Sciences, Department Berlin, Albert-Einstein-Strasse 9, 12489 Berlin (Germany)

    2008-07-01

    Using the single domain Si(111)-3 x 1-Ag surface as a template, room temperature deposition of two or more monolayers of Ag leads to the formation of metallic nanostructures. Reflectance anisotropy spectroscopy (RAS) in the infrared (IR) spectral region is used to analyse the anisotropic conductivity of the structures. The anisotropy is found to be influenced by the offcut angle of the substrate, and hence the terrace width. The Ag nanostructures were capped with Si to form a near-IR transparent protecting layer. The samples are stable to exposure to ambient conditions for significant periods. The RAS spectra are compared to model calculations, which support the conclusion that the buried metallic Ag nanostructures survive the capping process. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  9. Combining total internal reflection sum frequency spectroscopy spectral imaging and confocal fluorescence microscopy.

    Science.gov (United States)

    Allgeyer, Edward S; Sterling, Sarah M; Gunewardene, Mudalige S; Hess, Samuel T; Neivandt, David J; Mason, Michael D

    2015-01-27

    Understanding surface and interfacial lateral organization in material and biological systems is critical in nearly every field of science. The continued development of tools and techniques viable for elucidation of interfacial and surface information is therefore necessary to address new questions and further current investigations. Sum frequency spectroscopy (SFS) is a label-free, nonlinear optical technique with inherent surface specificity that can yield critical organizational information on interfacial species. Unfortunately, SFS provides no spatial information on a surface; small scale heterogeneities that may exist are averaged over the large areas typically probed. Over the past decade, this has begun to be addressed with the advent of SFS microscopy. Here we detail the construction and function of a total internal reflection (TIR) SFS spectral and confocal fluorescence imaging microscope directly amenable to surface investigations. This instrument combines, for the first time, sample scanning TIR-SFS imaging with confocal fluorescence microscopy.

  10. Quality Control of Valerianae Radix by Attenuated Total Reflection Fourier Transform Infrared (ATR-FTIR) Spectroscopy.

    Science.gov (United States)

    Nikzad-Langerodi, Ramin; Arth, Katharina; Klatte-Asselmeyer, Valerie; Bressler, Sabine; Saukel, Johannes; Reznicek, Gottfried; Dobeš, Christoph

    2018-04-01

    (Acetoxy-)valerenic acid and total essential oil content are important quality attributes of pharmacy grade valerian root (Valerianae radix). Traditional analysis of these quantities is time-consuming and necessitates (harmful) solvents. Here we investigated an application of attenuated total reflection Fourier transform infrared spectroscopy for extractionless analysis of these quality attributes on a representative sample comprising 260 wild-crafted individuals covering the Central European taxonomic diversity of the Valeriana officinalis L. s. l. species aggregate with its three major ploidy cytotypes (i.e., di-, tetra- and octoploid). Calibration models were built by orthogonal partial least squares regression for quantitative analysis of (acetoxy-)valerenic acid and total essential oil content. For the latter, we propose a simplistic protocol involving apolar extraction followed by gas chromatography as a reference method for multivariate calibration in order to handle the analysis of samples taken from individual plants. We found good predictive ability of chemometric models for quantification of valerenic acid, acetoxyvalerenic acid, total sesquiterpenoid acid, and essential oil content with a root mean squared error of cross-validation of 0.064, 0.043, and 0.09 and root mean squared error of prediction of 0.066, 0.057, and 0.09 (% content), respectively. Orthogonal partial least squares discriminant analysis revealed good discriminability between the most productive phenotype (i.e., the octoploid cytotype) in terms of sesquiterpenoid acids, and the less productive ones (i.e., di- and tetraploid). All in all, our results demonstrate the application of attenuated total reflection Fourier transform infrared spectroscopy for rapid, extractionless estimation of the most important quality attributes of valerian root and minimally invasive identification of the most productive phenotype in terms of sesquiterpenoid acids. Georg Thieme Verlag KG Stuttgart · New

  11. The role of total-reflection x-ray fluorescence in atomic spectroscopy

    International Nuclear Information System (INIS)

    Toelg, G.; Klockenkaemper, R.

    1993-01-01

    Total-reflection X-ray fluorescence (TXRF) is a universal and economic method for the simultaneous determination of elements with atomic numbers > 11 down to the lower pg-level. It is a microanalytical tool for the analysis of small sample amounts placed on flat carriers and for contaminations on flat sample surfaces. Analyses of stratified near-surface layers are made possible by varying the incident angle of the primary beam in the region of total-reflection. This non-destructive method is especially suitable for thin layers of a few nanometres, deposited on wafer material although not usable as a microprobe method with a high lateral resolution. Furthermore, depth profiles of biological samples can be recorded by means of microtome sectioning of only a few micrometres, as, for example in the gradient analysis of human organs. In addition to micro- and surface-layer analysis, TXRF is effectively applied to element trace analysis. Homogeneous solutions, for example aqueous solutions, high-purity acids or body fluids, are pipetted onto carriers and, after evaporation, the dry residues are analyzed directly down to the pg/ml region. Particularly advantageous is the absence of matrix effects, so that an easy calibration can be carried out by adding a single internal standard element. A digestion or separation step preceding the actual determination becomes necessary if a more complex matrix is to be analysed or especially low detection limits have to be reached. A critical evaluation of the recent developments in atomic spectroscopy places TXRF in a leading position. Its outstanding features compete with those of e.g. electrothermal atomic absorption spectrometry (ETAAS), microwave induced plasma optical emission spectroscopy (MIP-OES) and inductively coupled plasma mass spectrometry (ICP-MS) in the field of micro- and trace analysis and with Rutherford backscattering (RBS) and secondary ion mass spectrometry (SIMS) in the surface-layer analysis. (author)

  12. Monitoring of caffeine consumption effect on skin blood properties by diffuse reflectance spectroscopy

    Science.gov (United States)

    Milanic, Matija; Marin, Ana; Stergar, Jost; Verdel, Nina; Majaron, Boris

    2017-07-01

    Caffeine is the most widely consumed psychoactive substance in the world. It affects many tissues and organs, in particular central nervous system, heart, and blood vessels. The effect of caffeine on vascular smooth muscle cells is an initial transient contraction followed by significant vasodilatation. In this study we investigate the use of diffuse reflectance spectroscopy (DRS) for monitoring of vascular changes in human skin induced by caffeine consumption. DRS spectra were recorded on volar sides of the forearms of ten healthy volunteers at time delays of 0, 30, 60, 120, and 180 minutes after consumption of caffeine, while one subject served as a negative control. Analytical diffusion approximation solutions for diffuse reflectance from three-layer structures were used to assess skin composition (e.g., dermal blood volume fraction and oxygen saturation) by fitting to experimental data. The results demonstrate that cutaneous vasodynamics induced by caffeine consumption can be monitored by DRS, while changes in the control subject not consuming caffeine were insignificant.

  13. Quantitative skin color measurements in acanthosis nigricans patients: colorimetry and diffuse reflectance spectroscopy.

    Science.gov (United States)

    Pattamadilok, Bensachee; Devpura, Suneetha; Syed, Zain U; Agbai, Oma N; Vemulapalli, Pranita; Henderson, Marsha; Rehse, Steven J; Mahmoud, Bassel H; Lim, Henry W; Naik, Ratna; Hamzavi, Iltefat H

    2012-08-01

    Tristimulus colorimetry and diffuse reflectance spectroscopy (DRS) are white-light skin reflectance techniques used to measure the intensity of skin pigmentation. The tristimulus colorimeter is an instrument that measures a perceived color and the DRS instrument measures biological chromophores of the skin, including oxy- and deoxyhemoglobin, melanin and scattering. Data gathered from these tools can be used to understand morphological changes induced in skin chromophores due to conditions of the skin or their treatments. The purpose of this study was to evaluate the use of these two instruments in color measurements of acanthosis nigricans (AN) lesions. Eight patients with hyperinsulinemia and clinically diagnosable AN were seen monthly. Skin pigmentation was measured at three sites: the inner forearm, the medial aspect of the posterior neck, and anterior neck unaffected by AN. Of the three, measured tristimulus L*a*b* color parameters, the luminosity parameter L* was found to most reliably distinguish lesion from normally pigmented skin. The DRS instrument was able to characterize a lesion on the basis of the calculated melanin concentration, though melanin is a weak indicator of skin change and not a reliable measure to be used independently. Calculated oxyhemoglobin and deoxyhemoglobin concentrations were not found to be reliable indicators of AN. Tristimulus colorimetry may provide reliable methods for respectively quantifying and characterizing the objective color change in AN, while DRS may be useful in characterizing changes in skin melanin content associated with this skin condition. © 2012 John Wiley & Sons A/S.

  14. Impact of one-layer assumption on diffuse reflectance spectroscopy of skin

    Science.gov (United States)

    Hennessy, Ricky; Markey, Mia K.; Tunnell, James W.

    2015-02-01

    Diffuse reflectance spectroscopy (DRS) can be used to noninvasively measure skin properties. To extract skin properties from DRS spectra, you need a model that relates the reflectance to the tissue properties. Most models are based on the assumption that skin is homogenous. In reality, skin is composed of multiple layers, and the homogeneity assumption can lead to errors. In this study, we analyze the errors caused by the homogeneity assumption. This is accomplished by creating realistic skin spectra using a computational model, then extracting properties from those spectra using a one-layer model. The extracted parameters are then compared to the parameters used to create the modeled spectra. We used a wavelength range of 400 to 750 nm and a source detector separation of 250 μm. Our results show that use of a one-layer skin model causes underestimation of hemoglobin concentration [Hb] and melanin concentration [mel]. Additionally, the magnitude of the error is dependent on epidermal thickness. The one-layer assumption also causes [Hb] and [mel] to be correlated. Oxygen saturation is overestimated when it is below 50% and underestimated when it is above 50%. We also found that the vessel radius factor used to account for pigment packaging is correlated with epidermal thickness.

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

    Science.gov (United States)

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

    2016-01-01

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

  16. Near IR Scanning Angle Total Internal Reflection Raman Spectroscopy at Smooth Gold Films

    Energy Technology Data Exchange (ETDEWEB)

    McKee, Kristopher; Meyer, Matthew; Smith, Emily

    2012-04-13

    Total internal reflection (TIR) Raman and reflectivity spectra were collected for nonresonant analytes as a function of incident angle at sapphire or sapphire/smooth 50 nm gold interfaces using 785 nm excitation. For both interfaces, the Raman signal as a function of incident angle is well-modeled by the calculated interfacial mean square electric field (MSEF) relative to the incident field times the thickness of the layer being probed in the Raman measurement (D{sub RS}). The Raman scatter was reproducibly enhanced at the interface containing a gold film relative to the sapphire interface by a factor of 4.3–4.6 for aqueous pyridine or 2.2–3.7 for neat nitrobenzene, depending on the analyzed vibrational mode. The mechanism for the increased Raman signal is the enhanced MSEF at incident angles where propagating surface plasmons are excited in the metal film. The background from the TIR prism was reduced by 89–95% with the addition of the gold film, and the percent relative uncertainty in peak area was reduced from 15 to 1.7% for the 1347 cm–1 mode of nitrobenzene. Single monolayers of benzenethiol (S/N = 6.8) and 4-mercaptopyridine (S/N = 16.5) on gold films were measured by TIR Raman spectroscopy with 785 nm excitation (210 mW) without resonant enhancement in 1 min.

  17. The application of Near Infrared Reflectance Spectroscopy (NIRS) for the quantitative analysis of hydrocortisone in primary materials

    OpenAIRE

    A. PITTAS; C. SERGIDES; K. NIKOLICH

    2001-01-01

    Near Infrared Reflectance Spectroscopy (NIRS), coupled with fiber optic probes, has been shown to be a quick and reliable analytical tool for quality assurance and quality control in the pharmaceutical industry, both for verifications of raw materials and quantification of the active ingredients in final products. In this paper, a typical pharmaceutical product, hydrocortisone sodium succinate, is used as an example for the application of NIR spectroscopy for quality control. In order to deve...

  18. Assessing Salinity in Cotton and Tomato Plants by Using Reflectance Spectroscopy

    Science.gov (United States)

    Goldshleger, Naftaly

    2016-04-01

    Irrigated lands in semi-arid and arid areas are subjected to salinization processes. An example of this phenomenon is the Jezreel Valley in northern Israel where soil salinity has increased over the years. The increase in soil salinity results in the deterioration of the soil structure and crops damage. In this experiment we quantified the relation between the chemical and spectral features of cotton and tomato plants and their mutual relationship to soil salinity. The experiment was carried out as part of ongoing research aiming to detect and monitor saline soils and vegetation by combining different remote sensing methods. The aim of this study was to use vegetation reflectance measurements to predict foliar Cl and Na concentration and assess salinity in the soil and in vegetation by their reflectance measurements. The model developed for determining concentrations of chlorine and sodium in tomato and cotton produced good results ( R2 = 0.92 for sodium and 0.85 for chlorine in tomato and R2 = 0.84 for sodium and 0.82 for chlorine in cotton). Lately, we extend the method to calculate vegetation salinity, by doing correlation between the reflectance slopes of the tested crops CL and Na from two research areas. The developed model produced a good results for all the data (R2=0.74) Our method can be implemented to assess vegetation salinity ahead of planting, and developed as a generic tool for broader use for agriculture in semi-arid regions. In our opinion these results show the possibility of monitoring for a threshold level of salinity in tomato and cotton leaves so remedial action can be taken in time to prevent crop damage. Our results strongly suggest that future imaging spectroscopy remote sensing measurements collected by airborne and satellite platforms could measure the salinity of soil and vegetation over larger areas. These results can be the first steps for generic a model which includes more vegetation for salinity measurements.

  19. Analysis of ecstasy tablets: comparison of reflectance and transmittance near infrared spectroscopy.

    Science.gov (United States)

    Schneider, Ralph Carsten; Kovar, Karl-Artur

    2003-07-08

    Calibration models for the quantitation of commonly used ecstasy substances have been developed using near infrared spectroscopy (NIR) in diffuse reflectance and in transmission mode by applying seized ecstasy tablets for model building and validation. The samples contained amphetamine, N-methyl-3,4-methylenedioxy-amphetamine (MDMA) and N-ethyl-3,4-methylenedioxy-amphetamine (MDE) in different concentrations. All tablets were analyzed using high performance liquid chromatography (HPLC) with diode array detection as reference method. We evaluated the performance of each NIR measurement method with regard to its ability to predict the content of each tablet with a low root mean square error of prediction (RMSEP). Best calibration models could be generated by using NIR measurement in transmittance mode with wavelength selection and 1/x-transformation of the raw data. The models build in reflectance mode showed higher RMSEPs using as data pretreatment, wavelength selection, 1/x-transformation and a second order Savitzky-Golay derivative with five point smoothing was applied to obtain the best models. To estimate the influence of inhomogeneities in the illegal tablets, a calibration of the destroyed, i.e. triturated samples was build and compared to the corresponding data of the whole tablets. The calibrations using these homogenized tablets showed lower RMSEPs. We can conclude that NIR analysis of ecstasy tablets in transmission mode is more suitable than measurement in diffuse reflectance to obtain quantification models for their active ingredients with regard to low errors of prediction. Inhomogeneities in the samples are equalized when measuring the tablets as powdered samples.

  20. Reflectance-difference spectroscopy as an optical probe for in situ determination of doping levels in GaAs

    Energy Technology Data Exchange (ETDEWEB)

    Lastras-Martinez, A.; Lara-Velazquez, I.; Balderas-Navarro, R.E.; Ortega-Gallegos, J.; Guel-Sandoval, S.; Lastras-Martinez, L.F. [Instituto de Investigacion en Comunicacion Optica, Universidad Autonoma de San Luis Potosi, Alvaro Obregon 64, San Luis Potosi, SLP 78000 (Mexico)

    2008-07-01

    We report on in situ Reflectance Difference Spectroscopy measurements carried out on GaAs(001). Measurements were performed at temperatures of 580 C and 430 C, in both n and p-type doped films and for both (2 x 4) and c(4 x 4) reconstructions. Samples employed were grown by Molecular Beam Epitaxy with doping levels in the range from 10{sup 16}-10{sup 19} cm{sup -3}. We demonstrate the potential of Reflectance Difference Spectroscopy for impurity level determinations under growth conditions. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  1. Near infrared reflectance spectroscopy for the fast identification of PVC-based films.

    Science.gov (United States)

    Laasonen, M; Rantanen, J; Harmia-Pulkkinen, T; Michiels, E; Hiltunen, R; Räsänen, M; Vuorela, H

    2001-07-01

    Near infrared (NIR) reflectance spectroscopy was used to develop a non-destructive and rapid qualitative method for the analysis of plastic films used by the pharmaceutical industry for blistering. Three types of films were investigated: 250 microm PVC [poly(vinyl chloride)] films, 250 microm PVC films coated with 40 g m(-2) of PVDC [poly(vinylidene dichloride)] and 250 microm PVC films coated with 5 g m(-2) of TE (Thermoelast) and 90 g m(-2) of PVDC. Three analyses were carried out using different pre-treatment options and a PLS (partial least squares) algorithm. Each analysis was aimed at identifying one type of film and rejecting all types of false sample (different thickness, colour or layer). True and false samples from four plastics manufacturers were included in the calibration sets in order to obtain robust methods that were suitable regardless of the supplier. Specificity was demonstrated by testing validation sets against the methods. The tests showed 0% of type I (false negative identification) and 1% of type II errors (false positive identification) for the PVC method, 13 and 3%, respectively, for the PVC-PVDC method and no error for the PVC-TE-PVDC method. Type II errors, mostly due to the slight sensitivity of the methods to film thickness, are easily corrected by simple thickness measurements. This study demonstrates that NIR spectroscopy is an excellent tool for the identification of PVC-based films. The three methods can be used by the pharmaceutical industry or plastics manufacturers for the quality control of films used in blister packaging.

  2. Plasma surface reflectance spectroscopy for non-invasive and continuous monitoring of extracellular component of blood

    Science.gov (United States)

    Sakota, Daisuke; Takatani, Setsuo

    2012-04-01

    To achieve the quantitative optical non-invasive diagnosis of blood during extracorporeal circulation therapies, the instrumental technique to extract extracellular spectra from whole blood was developed. In the circuit, the continuous blood flow was generated by a centrifugal blood pump. The oxygen saturation was maintained 100% by an oxygenator. The developed glass optical flow cell was attached to the outlet tubing of the oxygenator. The halogen lamp including the light from 400 to 900 nm wavelength was used for the light source. The light was guided into an optical fiber. The light emitted by the fiber was collimated and emitted to the flow cell flat surface at the incident angle of 45 degrees. The light just reflected on the boundary between inner surface of the flow cell and plasma at 45 degrees was detected by the detection fiber. The detected light was analyzed by a spectral photometer. The obtained spectrum from 400 to 600nm wavelength was not changed with respect to the hematocrit. In contrast, the signal in the spectral range was changed when the plasma free hemoglobin increased. By using two spectral range, 505+/-5 nm and 542.5+/-2.5 nm, the differential spectrum was correlated with the free hemoglobin at R2=0.99. On the other hand, as for the hematocrit, the differential spectrum was not correlated at R2=0.01. Finally, the plasma free hemoglobin was quantified with the accuracy of 22+/-19mg/dL. The result shows that the developed plasma surface reflectance spectroscopy (PSRS) can extract the plasma spectrum from flowing whole blood.

  3. Monitoring longitudinal changes in irradiated head and neck cancer xenografts using diffuse reflectance spectroscopy

    Science.gov (United States)

    Vishwanath, Karthik; Jiang, Shudong; Gunn, Jason R.; Marra, Kayla; Andreozzi, Jacqueline M.; Pogue, Brian W.

    2016-02-01

    Radiation therapy is often used as the preferred clinical treatment for control of localized head and neck cancer. However, during the course of treatment (6-8 weeks), feedback about functional and/or physiological changes within impacted tissue are not obtained, given the onerous financial and/or logistical burdens of scheduling MRI, PET or CT scans. Diffuse optical sensing is well suited to address this problem since the instrumentation can be made low-cost and portable while still being able to non-invasively provide information about vascular oxygenation in vivo. Here we report results from studies that employed an optical fiber-based portable diffuse reflectance spectroscopy (DRS) system to longitudinally monitor changes in tumor vasculature within two head and neck cancer cell lines (SCC-15 and FaDu) xenografted in the flanks of nude mice, in two separate experiments. Once the tumor volumes were 100mm3, 67% of animals received localized (electron beam) radiation therapy in five fractions (8Gy/day, for 5 days) while 33% of the animals served as controls. DRS measurements were obtained from each animal on each day of treatment and then for two weeks post-treatment. Reflectance spectra were parametrized to extract total hemoglobin concentration and blood oxygen-saturation and the resulting time-trends of optical parameters appear to be dissimilar for the two cell-lines. These findings are also compared to previous animal experiments (using the FaDu line) that were irradiated using a photon beam radiotherapy protocol. These results and implications for the use of fiber-based DRS measurements made at local (irradiated) tumor site as a basis for identifying early radiotherapy-response are presented and discussed.

  4. Analysis of total oil and fatty acids composition by near infrared reflectance spectroscopy in edible nuts

    Science.gov (United States)

    Kandala, Chari V.; Sundaram, Jaya

    2014-10-01

    Near Infrared (NIR) Reflectance spectroscopy has established itself as an important tool in quantifying water and oil present in various food materials. It is rapid and nondestructive, easier to use, and does not require processing the samples with corrosive chemicals that would render them non-edible. Earlier, the samples had to be ground into powder form before making any measurements. With the development of new soft ware packages, NIR techniques could now be used in the analysis of intact grain and nuts. While most of the commercial instruments presently available work well with small grain size materials such as wheat and corn, the method present here is suitable for large kernel size products such as shelled or in-shell peanuts. Absorbance spectra were collected from 400 nm to 2500 nm using a NIR instrument. Average values of total oil contents (TOC) of peanut samples were determined by standard extraction methods, and fatty acids were determined using gas chromatography. Partial least square (PLS) analysis was performed on the calibration set of absorption spectra, and models were developed for prediction of total oil and fatty acids. The best model was selected based on the coefficient of determination (R2), Standard error of prediction (SEP) and residual percent deviation (RPD) values. Peanut samples analyzed showed RPD values greater than 5.0 for both absorbance and reflectance models and thus could be used for quality control and analysis. Ability to rapidly and nondestructively measure the TOC, and analyze the fatty acid composition, will be immensely useful in peanut varietal improvement as well as in the grading process of grain and nuts.

  5. Simultaneous estimation of transcutaneous bilirubin, hemoglobin, and melanin based on diffuse reflectance spectroscopy

    Science.gov (United States)

    Nishidate, Izumi; Abdul, Wares MD.; Ohtsu, Mizuki; Nakano, Kazuya; Haneishi, Hideaki

    2018-02-01

    We propose a method to estimate transcutaneous bilirubin, hemoglobin, and melanin based on the diffuse reflectance spectroscopy. In the proposed method, the Monte Carlo simulation-based multiple regression analysis for an absorbance spectrum in the visible wavelength region (460-590 nm) is used to specify the concentrations of bilirubin (Cbil), oxygenated hemoglobin (Coh), deoxygenated hemoglobin (Cdh), and melanin (Cm). Using the absorbance spectrum calculated from the measured diffuse reflectance spectrum as a response variable and the extinction coefficients of bilirubin, oxygenated hemoglobin, deoxygenated hemoglobin, and melanin, as predictor variables, multiple regression analysis provides regression coefficients. Concentrations of bilirubin, oxygenated hemoglobin, deoxygenated hemoglobin, and melanin, are then determined from the regression coefficients using conversion vectors that are numerically deduced in advance by the Monte Carlo simulations for light transport in skin. Total hemoglobin concentration (Cth) and tissue oxygen saturation (StO2) are simply calculated from the oxygenated hemoglobin and deoxygenated hemoglobin. In vivo animal experiments with bile duct ligation in rats demonstrated that the estimated Cbil is increased after ligation of bile duct and reaches to around 20 mg/dl at 72 h after the onset of the ligation, which corresponds to the reference value of Cbil measured by a commercially available transcutaneous bilirubin meter. We also performed in vivo experiments with rats while varying the fraction of inspired oxygen (FiO2). Coh and Cdh decreased and increased, respectively, as FiO2 decreased. Consequently, StO2 was dramatically decreased. The results in this study indicate potential of the method for simultaneous evaluation of multiple chromophores in skin tissue.

  6. Diffuse-reflectance fourier-transform mid-infrared spectroscopy as a method of characterizing changes in soil organic matter

    Science.gov (United States)

    Diffuse-Reflectance Fourier-Transform Mid-Infrared Spectroscopy (MidIR) can identify the presence of important organic functional groups in soil organic matter (SOM). Soils contain myriad organic and inorganic components that absorb in the MidIR so spectral interpretation needs to be validated in or...

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

    NARCIS (Netherlands)

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

    2016-01-01

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

  8. Improvement of direct determination of trace nickel in environmental samples by diffuse reflection spectroscopy using chromaticity characteristics.

    Science.gov (United States)

    Ershova, N I; Ivanov, V M

    2000-05-01

    Cellulose and chromaton-N-super as solid supports for direct determination of the immobilized nickel complexes with dimethylglyoxime and benzyldioxime by diffuse reflection spectroscopy were compared. The advantage of chromaton-N-super with use of benzyldioxime is shown. Detection limit is 0.02 microg/mL. The proposed method was applied for the analysis of soil.

  9. Secondary cell wall development in cotton fibers as examined with attenuated total reflection Fourier transform infrared spectroscopy

    Science.gov (United States)

    Cotton fibers harvested at 18, 20, 24, 28, 32, 36 and 40 days after flowering were examined using attenuated total reflection Fourier transform-infrared (ATR FT-IR) spectroscopy. The selected harvesting points coincide with secondary cell wall (SCW) development in the fibers. Progressive but moderat...

  10. Adsorption of the cysteine–tryptophan dipeptide at the Au(110)/liquid interface studied using reflection anisotropy spectroscopy

    DEFF Research Database (Denmark)

    Morozzo della Rocca, Blasco; Smith, C I; Tesauro, Cinzia

    2010-01-01

    The adsorption of a cysteine–tryptophan dipeptide has been monitored at a Au(110)/electrolyte interface using reflection anisotropy spectroscopy. At −0.6 V the dipeptide adsorbed through the formation of Au–S bonds and a link between the NH2 group at the Au surface. As the applied potential...

  11. Prediction of biogas yield and its kinetics in reed canary grass using near infrared reflectance spectroscopy and chemometrics

    DEFF Research Database (Denmark)

    Kandel, Tanka Prasad; Gislum, René; Jørgensen, Uffe

    2013-01-01

    A rapid method is needed to assess biogas and methane yield potential of various kinds of substrate prior to anaerobic digestion. This study reports near infrared reflectance spectroscopy (NIRS) as a rapid alternative method to the conventional batch methods for prediction of specific biogas yield...

  12. DETERMINING PARAMETERS OF THE DIELECTRIC FUNCTION OF A SUBSTANCE IN AQUEOUS SOLUTION BY SELF-REFERENCED REFLECTION THZ SPECTROSCOPY

    DEFF Research Database (Denmark)

    2008-01-01

    Method and apparatus for determining dielectric function of liquid solutions and thereby concentrations of substances in aqueous solution or the volatile/non-volatile nature of the liquid by self-referenced reflection THz spectroscopy. Having the aqueous solution in any container with a window al....... The invention is particularly useful for determining alcohol (ethanol) content in aqueous solution containing other substances and particles....

  13. Conformational aspects of proteins at the air/water interface studied by infrared reflection-adsorption spectroscopy

    NARCIS (Netherlands)

    Martin, A.H.; Meinders, M.B.J.; Bos, M.A.; Cohen Stuart, M.A.; Vliet, van T.

    2003-01-01

    From absorption spectra obtained with infrared reflection-absorption spectroscopy (IRRAS), it is possible to obtain information on conformational changes at a secondary folding level of proteins adsorbed at the air/water interface. In addition, information on protein concentration at the interface

  14. Conformational aspects of proteins at the air/water interface studied by infrared reflection-absorption spectroscopy

    NARCIS (Netherlands)

    Martin, A.H.; Meinders, M.B.J.; Bos, M.A.; Cohen Stuart, M.A.; Vliet, T. van

    2003-01-01

    From absorption spectra obtained with infrared reflection - absorption spectroscopy (IRRAS), it is possible to obtain information on conformational changes at a secondary folding level of proteins adsorbed at the air/water interface. In addition, information on protein concentration at the interface

  15. Quantification of betaglucans, lipid and protein contents in whole oat groats (Avena sativa L.) using near infrared reflectance spectroscopy

    Science.gov (United States)

    Whole oat has been described as an important healthy food for humans due to its beneficial nutritional components. Near infrared reflectance spectroscopy (NIRS) is a powerful, fast, accurate and non-destructive analytical tool that can be substituted for some traditional chemical analysis. A total o...

  16. Quantitative Analysis of Total Petroleum Hydrocarbons in Soils: Comparison between Reflectance Spectroscopy and Solvent Extraction by 3 Certified Laboratories

    Directory of Open Access Journals (Sweden)

    Guy Schwartz

    2012-01-01

    Full Text Available The commonly used analytic method for assessing total petroleum hydrocarbons (TPH in soil, EPA method 418.1, is usually based on extraction with 1,1,2-trichlorotrifluoroethane (Freon 113 and FTIR spectroscopy of the extracted solvent. This method is widely used for initial site investigation, due to the relative low price per sample. It is known that the extraction efficiency varies depending on the extracting solvent and other sample properties. This study’s main goal was to evaluate reflectance spectroscopy as a tool for TPH assessment, as compared with three commercial certified laboratories using traditional methods. Large variations were found between the results of the three commercial laboratories, both internally (average deviation up to 20%, and between laboratories (average deviation up to 103%. Reflectance spectroscopy method was found be as good as the commercial laboratories in terms of accuracy and could be a viable field-screening tool that is rapid, environmental friendly, and cost effective.

  17. [Near-infrared reflectance spectroscopy predicts protein, moisture and ash in beans].

    Science.gov (United States)

    Gao, Huiyu; Wang, Guodong; Men, Jianhua; Wang, Zhu

    2017-05-01

    To explore the potential of near-infrared reflectance( NIR)spectroscopy to determine macronutrient contents in beans. NIR spectra and analytical measurements of protein, moisture and ash were collected from 70 kinds of beans. Reference methods were used to analyze all the ground beans samples. NIR spectra on intact and ground beans samples were registered. Partial least-squares( PLS)regression models were developed with principal components analysis( PCA) to assign 49 bean accessions to a calibration data set and 21 accessions to an external validation set. For intact beans, the relative predictive determinant( RPD) values for protein and ash( 3. 67 and 3. 97, respectively) were good for screening. RPD value for moisture was only 1. 39, which was not recommended. For ground beans, the RPD values for protein, moisture and ash( 6. 63, 5. 25 and 3. 57, respectively) were good enough for screening. The protein, moisture and ash levels for intact and ground beans were all significantly correlated( P beans with no or easy sample preparation.

  18. Quality evaluation of regional forage resources by means of near infrared reflectance spectroscopy

    Directory of Open Access Journals (Sweden)

    Bruno Ronchi

    2010-01-01

    Full Text Available Quality parameters of grassland and pasture samples collected during a three-year period at two environmentally andgeographically different areas were analysed by Near Infrared Reflectance Spectroscopy (NIRS. Chemical analysis forcrude protein (CP, crude fibre (CF, neutral detergent fibre (NDF, acid detergent fibre (ADF, acid detergent lignin (ADLand crude ash (ASH carried out on two-thirds of the samples were used in calibration processes. The remaining onethirdof the data was used to validate the best calibrations obtained. Samples selection is discussed. Different math pretreatments(derivative, gap, primary smoothing and secondary smoothing, light scattering correction methods and calibrationalgorithms were tested to achieve the better predictive performances. We obtained the best results using differentregression algorithms to correlate spectral information to chemical data. For CP (R2 = 0.94, SEP=1.3, NDF (R2 =0.95, SEP = 2.14 and ADF (R2 = 0.92, SEP=2.06 Multiple Linear Regression (MLR models fit chemical data better thanMean Partial Least Square (MPLS regression. A molecular basis explanation of wavelengths selected was carried out.MPLS models worked well for CF (R2 = 0.93, SEP=1.57, and ASH (R2 = 0.95, SEP=1.17 while poor calibrations wereobtained for ADL using both algorithms. To confirm the reliability of the models developed, uncertainties of predictionswere compared with findings on nutritional variations and animal performances.

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

    Science.gov (United States)

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

    2017-10-01

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

  20. Attenuated total reflectance-FT-IR spectroscopy for gunshot residue analysis: potential for ammunition determination.

    Science.gov (United States)

    Bueno, Justin; Sikirzhytski, Vitali; Lednev, Igor K

    2013-08-06

    The ability to link a suspect to a particular shooting incident is a principal task for many forensic investigators. Here, we attempt to achieve this goal by analysis of gunshot residue (GSR) through the use of attenuated total reflectance (ATR) Fourier transform infrared spectroscopy (FT-IR) combined with statistical analysis. The firearm discharge process is analogous to a complex chemical process. Therefore, the products of this process (GSR) will vary based upon numerous factors, including the specific combination of the firearm and ammunition which was discharged. Differentiation of FT-IR data, collected from GSR particles originating from three different firearm-ammunition combinations (0.38 in., 0.40 in., and 9 mm calibers), was achieved using projection to latent structures discriminant analysis (PLS-DA). The technique was cross (leave-one-out), both internally and externally, validated. External validation was achieved via assignment (caliber identification) of unknown FT-IR spectra from unknown GSR particles. The results demonstrate great potential for ATR-FT-IR spectroscopic analysis of GSR for forensic purposes.

  1. Quantum state-resolved gas/surface reaction dynamics probed by reflection absorption infrared spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Chen Li [Department of Dynamics at Surfaces, Max Planck Institute for Biophysical Chemistry, Am Fassberg 11, Goettingen (Germany); Ueta, Hirokazu; Beck, Rainer D. [Laboratoire de Chimie Physique Moleculaire, Ecole Polytechnique Federale de Lausanne (Switzerland); Bisson, Regis [Aix-Marseille Universite, PIIM, CNRS, UMR 7345, 13397 Marseille (France)

    2013-05-15

    We report the design and characterization of a new molecular-beam/surface-science apparatus for quantum state-resolved studies of gas/surface reaction dynamics combining optical state-specific reactant preparation in a molecular beam by rapid adiabatic passage with detection of surface-bound reaction products by reflection absorption infrared spectroscopy (RAIRS). RAIRS is a non-invasive infrared spectroscopic detection technique that enables online monitoring of the buildup of reaction products on the target surface during reactant deposition by a molecular beam. The product uptake rate obtained by calibrated RAIRS detection yields the coverage dependent state-resolved reaction probability S({theta}). Furthermore, the infrared absorption spectra of the adsorbed products obtained by the RAIRS technique provide structural information, which help to identify nascent reaction products, investigate reaction pathways, and determine branching ratios for different pathways of a chemisorption reaction. Measurements of the dissociative chemisorption of methane on Pt(111) with this new apparatus are presented to illustrate the utility of RAIRS detection for highly detailed studies of chemical reactions at the gas/surface interface.

  2. [Progress in application of near infrared reflectance spectroscopy to the study of ruminant nutrition].

    Science.gov (United States)

    Guo, Xu-Sheng; Shang, Zhan-Huan; Fang, Xiang-Wen; Long, Rui-Jun

    2009-03-01

    The near infrared reflectance spectroscopy (NIRS) technique has been widely used in the study of ruminant nutrition with many of its operational merits such as facility, shortcut and accuracy, etc. Study suggested that the standard error of cross-validation (SECV) ranges from 1.6% to 2.8% in predicting organic matter digestion of ruminant diet by using the NIRS technique; the chemical and biological compositions and the microbial protein proportion in the duodenal digesta can be predicted accurately using the NIRS. However, the kinetic parameters of degradation are not well predicted; The prediction of intake of stall feeding animals by using NIRS is similar to the determination of in vivo method, but the standard error of prediction is about 14% when using the NIRS to predict intake of grazing animals. All of the studies suggest that big progress has been made in using NIRS technique to predict feed digestion and evaluate the diet quality and intake of ruminant animals, which also suggest that the NIRS technique has a wide prospect in the study of ruminant nutrition.

  3. Crop/weed discrimination using near-infrared reflectance spectroscopy (NIRS)

    Science.gov (United States)

    Zhang, Yun; He, Yong

    2006-09-01

    The traditional uniform herbicide application often results in an over chemical residues on soil, crop plants and agriculture produce, which have imperiled the environment and food security. Near-infrared reflectance spectroscopy (NIRS) offers a promising means for weed detection and site-specific herbicide application. In laboratory, a total of 90 samples (30 for each species) of the detached leaves of two weeds, i.e., threeseeded mercury (Acalypha australis L.) and fourleafed duckweed (Marsilea quadrfolia L.), and one crop soybean (Glycine max) was investigated for NIRS on 325- 1075 nm using a field spectroradiometer. 20 absorbance samples of each species after pretreatment were exported and the lacked Y variables were assigned independent values for partial least squares (PLS) analysis. During the combined principle component analysis (PCA) on 400-1000 nm, the PC1 and PC2 could together explain over 91% of the total variance and detect the three plant species with 98.3% accuracy. The full-cross validation results of PLS, i.e., standard error of prediction (SEP) 0.247, correlation coefficient (r) 0.954 and root mean square error of prediction (RMSEP) 0.245, indicated an optimum model for weed identification. By predicting the remaining 10 samples of each species in the PLS model, the results with deviation presented a 100% crop/weed detection rate. Thus, it could be concluded that PLS was an available alternative of for qualitative weed discrimination on NTRS.

  4. Non-invasive detection of periodontal disease using diffuse reflectance spectroscopy: a clinical study

    Science.gov (United States)

    Prasanth, Chandra Sekhar; Betsy, Joseph; Subhash, Narayanan; Jayanthi, Jayaraj L.; Prasanthila, Janam

    2012-03-01

    In clinical diagnostic procedures, gingival inflammation is considered as the initial stage of periodontal breakdown. This is often detected clinically by bleeding on probing as it is an objective measure of inflammation. Since conventional diagnostic procedures have several inherent drawbacks, development of novel non-invasive diagnostic techniques assumes significance. This clinical study was carried out in 15 healthy volunteers and 25 patients to demonstrate the applicability of diffuse reflectance (DR) spectroscopy for quantification and discrimination of various stages of inflammatory conditions in periodontal disease. The DR spectra of diseased lesions recorded using a point monitoring system consisting of a tungsten halogen lamp and a fiber-optic spectrometer showed oxygenated hemoglobin absorption dips at 545 and 575 nm. Mean DR spectra on normalization shows marked differences between healthy and different stages of gingival inflammation. Among the various DR intensity ratios investigated, involving oxy Hb absorption peaks, the R620/R575 ratio was found to be a good parameter of gingival inflammation. In order to screen the entire diseased area and its surroundings instantaneously, DR images were recorded with an EMCCD camera at 620 and 575 nm. We have observed that using the DR image intensity ratio R620/R575 mild inflammatory tissues could be discriminated from healthy with a sensitivity of 92% and specificity of 93%, and from moderate with a sensitivity of 83% and specificity of 96%. The sensitivity and specificity obtained between moderate and severe inflammation are 82% and 76% respectively.

  5. Using visible reflectance spectroscopy to reconstruct historical changes in chlorophyll a concentration in East Antarctic ponds

    Directory of Open Access Journals (Sweden)

    Qianqian Chen

    2013-12-01

    Full Text Available The visible reflectance spectroscopy (VRS and chlorophyll a concentration were determined in three sediment profiles collected from East Antarctica to investigate the potential application of VRS in reconstructing historical changes in Antarctic lake primary productivity. The results showed that the appearance of a trough at 650–700 nm is an important marker for chlorophyll a concentration and can therefore be used to distinguish the sedimentary organic matter source from guano and algae. The measured chlorophyll a content had significant positive correlations with the trough area between 650 and 700 nm, and no distinct trough was found in the sediments with organic matter completely derived from guano. Modelling results showed that the spectra spectrally inferred chlorophyll a content, and the measured data exhibit consistent trends with depth, showing that the dimensionless trough area can serve as an independent proxy for reconstructing historical fluctuations in the primary production of Antarctic ponds. The correlation of phosphorus (P with measured and inferred chlorophyll a contents in ornithogenic sediments near penguin colonies indicates that the change in primary productivity in the Antarctic ponds investigated was closely related to the amount of guano input from these birds.

  6. Detection of sibutramine in adulterated dietary supplements using attenuated total reflectance-infrared spectroscopy.

    Science.gov (United States)

    Deconinck, E; Cauwenbergh, T; Bothy, J L; Custers, D; Courselle, P; De Beer, J O

    2014-11-01

    Sibutramine is one of the most occurring adulterants encountered in dietary supplements with slimming as indication. These adulterated dietary supplements often contain a herbal matrix. When customs intercept these kind of supplements it is almost impossible to discriminate between the legal products and the adulterated ones, due to misleading packaging. Therefore in most cases these products are confiscated and send to laboratories for analysis. This results inherently in the confiscation of legal, non-adulterated products. Therefore there is a need for easy to use equipment and techniques to perform an initial screening of samples. Attenuated total reflectance-infrared (ATR-IR) spectroscopy was evaluated for the detection of sibutramine in adulterated dietary supplements. Data interpretation was performed using different basic chemometric techniques. It was found that the use of ATR-IR combined with the k-Nearest Neighbours (k-NN) was able to detect all adulterated dietary supplements in an external test set and this with a minimum of false positive results. This means that a small amount of legal products will still be confiscated and analyzed in a laboratory to be found negative, but no adulterated samples will pass the initial ATR-IR screening. Copyright © 2014 Elsevier B.V. All rights reserved.

  7. Phase transitions of amorphous solid acetone in confined geometry investigated by reflection absorption infrared spectroscopy.

    Science.gov (United States)

    Shin, Sunghwan; Kang, Hani; Kim, Jun Soo; Kang, Heon

    2014-11-26

    We investigated the phase transformations of amorphous solid acetone under confined geometry by preparing acetone films trapped in amorphous solid water (ASW) or CCl4. Reflection absorption infrared spectroscopy (RAIRS) and temperature-programmed desorption (TPD) were used to monitor the phase changes of the acetone sample with increasing temperature. An acetone film trapped in ASW shows an abrupt change in the RAIRS features of the acetone vibrational bands during heating from 80 to 100 K, which indicates the transformation of amorphous solid acetone to a molecularly aligned crystalline phase. Further heating of the sample to 140 K produces an isotropic solid phase, and eventually a fluid phase near 157 K, at which the acetone sample is probably trapped in a pressurized, superheated condition inside the ASW matrix. Inside a CCl4 matrix, amorphous solid acetone crystallizes into a different, isotropic structure at ca. 90 K. We propose that the molecularly aligned crystalline phase formed in ASW is created by heterogeneous nucleation at the acetone-water interface, with resultant crystal growth, whereas the isotropic crystalline phase in CCl4 is formed by homogeneous crystal growth starting from the bulk region of the acetone sample.

  8. Diffuse reflectance spectroscopy and optical polarization imaging of in-vivo biological tissue

    Science.gov (United States)

    Mora-Núñez, A.; Castillejos, Y.; García-Torales, G.; Martínez-Ponce, G.

    2013-11-01

    A number of optical techniques have been reported in the scientific literature as accomplishable methodologies to diagnose diseases in biological tissue, for instance, diffuse reflectance spectroscopy (DRS) and optical polarization imaging (OPI). The skin is the largest organ in the body and consists of three primary layers, namely, the epidermis (the outermost layer exposed to the world), the dermis, and the hypodermis. The epidermis changes from to site to site, mainly because of difference in hydration. A lower water content increase light scattering and reduce the penetration depth of radiation. In this work, two hairless mice have been selected to evaluate their skin features by using DRS and OPI. Four areas of the specimen body were chosen to realize the comparison: back, abdomen, tail, and head. From DRS, it was possible to distinguish the skin nature because of different blood irrigation at dermis. In the other hand, OPI shows pseudo-depolarizing regions in the measured Mueller images related to a spatially varying propagation of the scattered light. This provides information about the cell size in the irradiated skin.

  9. Surface energy loss processes in XPS studied by absolute reflection electron energy loss spectroscopy

    International Nuclear Information System (INIS)

    Nagatomi, T.; Goto, K.

    2010-01-01

    The results of the investigation of the inelastic interaction of 300-3000 eV electrons with the Ni and Au surfaces by the analysis of absolute reflection electron energy loss spectroscopy (REELS) spectra were described. The present analysis enables the inelastic mean free path (IMFP), surface excitation parameter (SEP) and differential SEP (DSEP) to be obtained simultaneously from an absolute REELS spectrum. The obtained IMFPs for Ni and Au showed a good agreement with those calculated using the TPP-2M predictive equation. The present SEPs determined for Ni and Au were fitted to the Chen's formula describing the dependence of the SEP on the electron energy, and material parameters for Ni and Au in Chen's formula were proposed. The present DESPs were compared with the theoretical results, and a reasonable agreement between the experimentally determined DSEPs and theoretical results was confirmed. The MC modeling of calculating the REELS spectrum, in which energy loss processes due to surface excitations are taken into account, was also described. The IMFP, SEP and DSEP determined by the present absolute REELS analysis were employed to describe energy loss processes by inelastic scattering in the proposed MC simulation. The simulated REELS spectra were found to be in a good agreement with the experimental spectra for both Ni and Au.

  10. Laser spectroscopy of francium isotopes at the borders of the region of reflection asymmetry

    CERN Document Server

    Budinčević, I; Bissell, M L; Cocolios, T E; de Groote, R P; De Schepper, S; Fedosseev, V N; Flanagan, K T; Franchoo, S; Garcia Ruiz, R F; Heylen, H; Lynch, K M; Marsh, B A; Neyens, G; Procter, T J; Rossel, R E; Rothe, S; Strashnov, I; Stroke, H H; Wendt, K D A

    2014-01-01

    The magnetic dipole moments and changes in mean-square charge radii of the neutron-rich $^{218m,219,229,231}\\text{Fr}$ isotopes were measured with the newly-installed Collinear Resonance Ionization Spectroscopy (CRIS) beam line at ISOLDE, CERN, probing the $7s~^{2}S_{1/2}$ to $8p~^{2}P_{3/2}$ atomic transition. The $\\delta\\langle r^{2}\\rangle^{A,221}$ values for $^{218m,219}\\text{Fr}$ and $^{229,231}\\text{Fr}$ follow the observed increasing slope of the charge radii beyond $N~=~126$. The charge radii odd-even staggering in this neutron-rich region is discussed, showing that $^{220}\\text{Fr}$ has a weakly inverted odd-even staggering while $^{228}\\text{Fr}$ has normal staggering. This suggests that both isotopes reside at the borders of a region of inverted staggering, which has been associated with reflection-asymmetric shapes. The $g(^{219}\\text{Fr}) = +0.69(1)$ value supports a $\\pi 1h_{9/2}$ shell model configuration for the ground state. The $g(^{229,231}\\text{Fr})$ values support the tentative $I^{\\pi}(^...

  11. Predicting glycogen concentration in the foot muscle of abalone using near infrared reflectance spectroscopy (NIRS).

    Science.gov (United States)

    Fluckiger, Miriam; Brown, Malcolm R; Ward, Louise R; Moltschaniwskyj, Natalie A

    2011-06-15

    Near infrared reflectance spectroscopy (NIRS) was used to predict glycogen concentrations in the foot muscle of cultured abalone. NIR spectra of live, shucked and freeze-dried abalones were modelled against chemically measured glycogen data (range: 0.77-40.9% of dry weight (DW)) using partial least squares (PLS) regression. The calibration models were then used to predict glycogen concentrations of test abalone samples and model robustness was assessed from coefficient of determination of the validation (R2(val)) and standard error of prediction (SEP) values. The model for freeze-dried abalone gave the best prediction (R2(val) 0.97, SEP=1.71), making it suitable for quantifying glycogen. Models for live and shucked abalones had R2(val) of 0.86 and 0.90, and SEP of 3.46 and 3.07 respectively, making them suitable for producing estimations of glycogen concentration. As glycogen is a taste-active component associated with palatability in abalone, this study demonstrated the potential of NIRS as a rapid method to monitor the factors associated with abalone quality. Copyright © 2011 Elsevier Ltd. All rights reserved.

  12. Forensic Hair Differentiation Using Attenuated Total Reflection Fourier Transform Infrared (ATR FT-IR) Spectroscopy.

    Science.gov (United States)

    Manheim, Jeremy; Doty, Kyle C; McLaughlin, Gregory; Lednev, Igor K

    2016-07-01

    Hair and fibers are common forms of trace evidence found at crime scenes. The current methodology of microscopic examination of potential hair evidence is absent of statistical measures of performance, and examiner results for identification can be subjective. Here, attenuated total reflection (ATR) Fourier transform-infrared (FT-IR) spectroscopy was used to analyze synthetic fibers and natural hairs of human, cat, and dog origin. Chemometric analysis was used to differentiate hair spectra from the three different species, and to predict unknown hairs to their proper species class, with a high degree of certainty. A species-specific partial least squares discriminant analysis (PLSDA) model was constructed to discriminate human hair from cat and dog hairs. This model was successful in distinguishing between the three classes and, more importantly, all human samples were correctly predicted as human. An external validation resulted in zero false positive and false negative assignments for the human class. From a forensic perspective, this technique would be complementary to microscopic hair examination, and in no way replace it. As such, this methodology is able to provide a statistical measure of confidence to the identification of a sample of human, cat, and dog hair, which was called for in the 2009 National Academy of Sciences report. More importantly, this approach is non-destructive, rapid, can provide reliable results, and requires no sample preparation, making it of ample importance to the field of forensic science. © The Author(s) 2016.

  13. Noninvasive method for the assessment of dermal uptake of pesticides using attenuated total reflectance infrared spectroscopy.

    Science.gov (United States)

    Carden, Angela; Yost, Michael G; Fenske, Richard A

    2005-03-01

    Dermal absorption of pesticides is a primary exposure route for agricultural workers, but is not well characterized. Current measurement techniques are either invasive, such as tape-stripping, or require extensive sample preparation or analysis time, such as urinary metabolite monitoring or wipe sampling followed by gas chromatography analysis. We present the application of a noninvasive, spectroscopic approach for the measurement of pesticide absorption into skin. Attenuated total reflectance infrared spectroscopy (ATR-IR) was used to monitor directly the absorption of two pesticides--captan and azinphos-methyl--in ten volunteers over 20 min under occlusive conditions. We found substantial variability in absorption across subjects. Our results were comparable to those measured by the more traditional method of wipe-sampling followed by extraction and gas chromatography analysis. Multivariate data analysis, in the form of multivariate curve resolution (MCR), is a novel addition to this type of experiment, yielding time-resolved information unachievable by standard methods. These data are potentially more informative than the monitoring of blood or urinary metabolites because they can be acquired in essentially real-time, allowing observations of pesticide absorption on a rapid timescale rather than over hours or days.

  14. Attenuated total internal reflection Fourier transform infrared spectroscopy: a quantitative approach for kidney stone analysis.

    Science.gov (United States)

    Gulley-Stahl, Heather J; Haas, Jennifer A; Schmidt, Katherine A; Evan, Andrew P; Sommer, André J

    2009-07-01

    The impact of kidney stone disease is significant worldwide, yet methods for quantifying stone components remain limited. A new approach requiring minimal sample preparation for the quantitative analysis of kidney stone components has been investigated utilizing attenuated total internal reflection Fourier transform infrared spectroscopy (ATR-FT-IR). Calcium oxalate monohydrate (COM) and hydroxylapatite (HAP), two of the most common constituents of urinary stones, were used for quantitative analysis. Calibration curves were constructed using integrated band intensities of four infrared absorptions versus concentration (weight %). The correlation coefficients of the calibration curves range from 0.997 to 0.93. The limits of detection range from 0.07 +/- 0.02% COM/HAP where COM is the analyte and HAP is the matrix, to 0.26 +/- 0.07% HAP/COM where HAP is the analyte and COM is the matrix. This study shows that linear calibration curves can be generated for the quantitative analysis of stone mixtures provided the system is well understood especially with respect to particle size.

  15. Assessment of biophysical tumor response to PDT in pancreatic cancer using localized reflectance spectroscopy

    Science.gov (United States)

    Isabelle, Martin; Klubben, William; He, Ting; Laughney, Ashley M.; Glaser, Adam; Krishnaswamy, Venkataramanan; Hoopes, P. Jack; Hasan, Tayyaba; Pogue, Brian W.

    2011-02-01

    Biophysical changes such as inflammation and necrosis occur immediately following PDT and may be used to assess the treatment response to PDT treatment in-vivo. This study uses localized reflectance measurements to quantify the scatter changes in tumor tissue occurring in response to verteporfin-based PDT treatment in xenograft pancreas tumors. Nude mice were implanted with subcutaneous AsPC-1 pancreatic tumors cells in matrigel, and allowed to establish solid tumors near 100mm3 volume. The mice were sensitized with 1mg/kg of the active component of verteporfin (benzoporphryin derivative, BPD), one hour before light delivery. The optical irradiation was performed using a 1 cm cylindrical interstitial diffusing tip fiber with 20J of red light (690nm). Tumor tissue was excised progressively and imaged, from 1 day to 4 weeks, after PDT treatment. The tissue sections were stained and analyzed by an expert veterinary pathologist, who provided information on tissue regions of interest. This information was correlated with variations in scattering and absorption parameters elucidated from the spectral images and the degree of necrosis and inflammation involvement was identified. Areas of necrosis and dead cells exhibited the lowest average scatter irradiance signature (3.78 and 4.07 respectively) compared to areas of viable pancreatic tumor cells and areas of inflammation (5.81 and 7.19 respectively). Bilirubin absorbance parameters also showed a lower absorbance value in necrotic tissue and areas of dead cells (0.05 and 0.1 respectively) compared to tissue areas for viable pancreatic tumor cells and areas of inflammation (0.28 and 0.35). These results demonstrate that localized reflectance spectroscopy is an imaging modality that can be used to identify tissue features associated with PDT treatment (e.g. necrosis and inflammation) that can be correlated with histopathologically-reviewed H&E stained slides. Further study of this technique may provide means for automated

  16. VIS/NIR Spectroscopy to determine the spatial variation of the weathering degree in Paleogene clay soil - London Clay Formation

    Science.gov (United States)

    Nasser, Mohammed; Gibson, Andy, ,, Dr; Koor, Nick, ,, Dr; Gale, Professor Andy; Huggett, Jenny, ,, Dr; Branch, Steve

    2017-04-01

    The London Clay Formation (LCF) which underlies much of South-East England is hugely important as a construction medium. However, its geotechnical performance (shear strength, compressive strength, shrink-swell behaviour, etc. ) is greatly affected by its degree of weathering. Despite this importance, little attention has been focussed on a robust method to define and measure its degree of weathering. This is perhaps a result of a well-known colour change from bluish-grey to brown that accompanies 'weathering' and considered to be the result of oxidisation (Chandler and Apted 1988). Through wide experience, this definition is normally effective, but it is perhaps subjective and reliant on the experience of the investigator and the ability to observe samples or exposures. More objective investigation, typically using SEM is not normally economically feasible or expedient for construction works. We propose a simple, robust method to characterise the degree of weathering in the LCF using reflective or Visible-Near-InfraRed-Spectroscopy (VNIRS). 24 samples were extracted from 2 boreholes drilled in the Hampstead area of London to depths of 12 m within the uppermost Claygate Member of the LCF. VNIRS spectra (350-2500 nm) were measured from all samples and compared with XRD, XRF, SEM and PSD results on the same samples. Results show increased magnitude of absorption features related to clay mineralogy around 1400, 1900 and 2200 nm to a depth of 5 m beneath ground level. Beneath this depth, the absorption features show little variation. SEM analyses show corresponding changes in the degradation of pyrite crystals and individual clay (illite/smectite). These preliminary results show that there is a good potential for VNIRS spectroscopy to determine the variation of weathering in the LCF.

  17. Non-invasive identification of metal-oxalate complexes on polychrome artwork surfaces by reflection mid-infrared spectroscopy.

    Science.gov (United States)

    Monico, Letizia; Rosi, Francesca; Miliani, Costanza; Daveri, Alessia; Brunetti, Brunetto G

    2013-12-01

    In this work a reflection mid-infrared spectroscopy study of twelve metal-oxalate complexes, of interest in art conservation science as alteration compounds, was performed. Spectra of the reference materials highlighted the presence of derivative-like and/or inverted features for the fundamental vibrational modes as result of the main contribution from the surface component of the reflected light. In order to provide insights in the interpretation of theses spectral distortions, reflection spectra were compared with conventional transmission ones. The Kramers-Kronig (KK) algorithm, employed to correct for the surface reflection distortions, worked properly only for the derivative-like bands. Therefore, to pay attention to the use of this algorithm when interpreting the reflection spectra is recommended. The outcome of this investigation was exploited to discriminate among different oxalates on thirteen polychrome artworks analyzed in situ by reflection mid-infrared spectroscopy. The visualization of the νs(CO) modes (1400-1200 cm(-1)) and low wavenumber bands (below 900 cm(-1)) in the raw reflection profiles allowed Ca, Cu and Zn oxalates to be identified. Further information about the speciation of different hydration forms of calcium oxalates were obtained by using the KK transform. The work proves reflection mid-infrared spectroscopy to be a reliable and sensitive spectro-analytical method for identifying and mapping different metal-oxalate alteration compounds on the surface of artworks, thus providing conservation scientists with a non-invasive tool to obtain information on the state of conservation and causes of alteration of artworks. Copyright © 2013 Elsevier B.V. All rights reserved.

  18. [Near infrared reflectance spectroscopy (NIRS): a novel approach to reconstructing historical changes of primary productivity in Antarctic lake].

    Science.gov (United States)

    Chen, Qian-Qian; Liu, Xiao-Dong; Liu, Wen-Qi; Jiang, Shan

    2011-10-01

    Compared with traditional chemical analysis methods, reflectance spectroscopy has the advantages of speed, minimal or no sample preparation, non-destruction, and low cost. In order to explore the potential application of spectroscopy technology in the paleolimnological study on Antarctic lakes, we took a lake sediment core in Mochou Lake at Zhongshan Station of Antarctic, and analyzed the near infrared reflectance spectroscopy (NIRS) data in the sedimentary samples. The results showed that the factor loadings of principal component analysis (PCA) displayed very similar depth-profile change pattern with the S2 index, a reliable proxy for the change in historical lake primary productivity. The correlation analysis showed that the values of PCA factor loading and S2 were correlated significantly, suggesting that it is feasible to infer paleoproductivity changes recorded in Antarctic lakes using NIRS technology. Compared to the traditional method of the trough area between 650 and 700 nm, the authors found that the PCA statistical approach was more accurate for reconstructing the change in historical lake primary productivity. The results reported here demonstrate that reflectance spectroscopy can provide a rapid method for the reconstruction of lake palaeoenviro nmental change in the remote Antarctic regions.

  19. Determining the mineral composition in Cucurbita pepo fruit using near infrared reflectance spectroscopy.

    Science.gov (United States)

    Martínez-Valdivieso, Damián; Font, Rafael; Gómez, Pedro; Blanco-Díaz, Teresa; Del Río-Celestino, Mercedes

    2014-12-01

    Efforts through conventional breeding to improve the mineral content in horticultural crops have not always been successful mainly due to the fact that standard analytical methods are both costly and time-consuming. We investigated the feasibility of applying near infrared reflectance spectroscopy (NIRS) to the estimation of essential mineral composition in the skin and flesh of summer squash fruits (Cucurbita pepo subsp. pepo) using a 200-sample set from diverse morphotypes. The coefficients of determination in the external validation (R(2) VAL) obtained for the skin and flesh of the fruit were: total mineral content, 0.84 and 0.70; P, 0.74 and 0.62; K, 0.83 and 0.67; Ca, 0.57 and 0.60; Mg, 0.78 and 0.45; Fe, 0.78 and 0.65; Cu, 0.67 and 0.66; Mn, 0.67 and 0.64; Zn, 0.80 and 0.79 and Na, 0.33 and 0.33; respectively. NIRS combined with different spectral transformations by modified partial least-squares (MPLS) regression has shown to be useful in determining the mineral composition of summer squash fruit, being a fast and low-cost analytical technique. Components such as chlorophyll, starch and lipids were used by MPLS for modelling the predicting equations. The promotion of micronutrient-rich summer squash varieties could have a significant long-term beneficial impact on the health of mineral deficient human populations. © 2014 Society of Chemical Industry.

  20. STUDY OF INK LAYER BY METHOD OF ATTENUATED TOTAL REFLECTANCE SPECTROSCOPY

    Directory of Open Access Journals (Sweden)

    D. G. Fatkhullina

    2016-05-01

    Full Text Available Subject of Research. Researchresults of thickness distribution of an ink layer smearedon a glass surface are presented. The orange ink which is used as a coloring pigment in writing instrument (highlighter is selectedasan object of study. Method. Researches were carried out by the method of attenuated total reflectance(ATR spectroscopy. The spectral setup fitted up on the basis of monochromator MDR-204 was usedin the experiment. The peculiarity of the measurement scheme is the applicationofhigh-resolution camera as a radiation detector and information storage as an images package. Researches allowed receivingexperimental data in the form of ink ATR spectra arrayfor studied areas of layer surface in a given spectral range. Main Results. The estimation of ink layer thickness was done, that gives the possibilityto visualize its distribution over the surface using three-dimensional modeling capabilities. The thickness of the ink layer is not more than 0.12 microns and arithmetic mean of the thickness is0.06 microns. The local areas are observed in an ink distribution, they have a maximum layer thickness (0.07-0.12 microns or areas with the ink thickness less then 0.03 microns. Variation of the ink layer thicknessbetween the local areas is smooth. Practical Relevance. The proposed measuring scheme, the sequence of registration and processing of experimental data can be used to studyink distribution within the thickness of a surface layer of other materials,for example, in analysis of signs performed by an ink on paper medium in order to identify them in such areas of science as forensic science andstudy of art.

  1. Suitability of faecal near-infrared reflectance spectroscopy (NIRS) predictions for estimating gross calorific value

    Energy Technology Data Exchange (ETDEWEB)

    De la Roza-Delgado, B.; Modroño, S.; Vicente, F.; Martínez-Fernández, A.; Soldado, A.

    2015-07-01

    A total of 220 faecal pig and poultry samples, collected from different experimental trials were employed with the aim to demonstrate the suitability of Near Infrared Reflectance Spectroscopy (NIRS) technology for estimation of gross calorific value on faeces as output products in energy balances studies. NIR spectra from dried and grounded faeces samples were analyzed using a Foss NIRSystem 6500 instrument, scanning over the wavelength range 400-2500 nm. Validation studies for quantitative analytical models were carried out to estimate the relevance of method performance associated to reference values to obtain an appropriate, accuracy and precision. The results for prediction of gross calorific value (GCV) of NIRS calibrations obtained for individual species showed high correlation coefficients comparing chemical analysis and NIRS predictions, ranged from 0.92 to 0.97 for poultry and pig. For external validation, the ratio between the standard error of cross validation (SECV) and the standard error of prediction (SEP) varied between 0.73 and 0.86 for poultry and pig respectively, indicating a sufficiently precision of calibrations. In addition a global model to estimate GCV in both species was developed and externally validated. It showed correlation coefficients of 0.99 for calibration, 0.98 for cross-validation and 0.97 for external validation. Finally, relative uncertainty was calculated for NIRS developed prediction models with the final value when applying individual NIRS species model of 1.3% and 1.5% for NIRS global prediction. This study suggests that NIRS is a suitable and accurate method for the determination of GCV in faeces, decreasing cost, timeless and for convenient handling of unpleasant samples.. (Author)

  2. Electronic and optical properties of Fe, Pd, and Ti studied by reflection electron energy loss spectroscopy

    International Nuclear Information System (INIS)

    Tahir, Dahlang; Kraaer, Jens; Tougaard, Sven

    2014-01-01

    We have studied the electronic and optical properties of Fe, Pd, and Ti by reflection electron energy-loss spectroscopy (REELS). REELS spectra recorded for primary energies in the range from 300 eV to 10 keV were corrected for multiple inelastically scattered electrons to determine the effective inelastic-scattering cross section. The dielectric functions and optical properties were determined by comparing the experimental inelastic-electron scattering cross section with a simulated cross section calculated within the semi-classical dielectric response model in which the only input is Im(−1/ε) by using the QUEELS-ε(k,ω)-REELS software package. The complex dielectric functions ε(k,ω), in the 0–100 eV energy range, for Fe, Pd, and Ti were determined from the derived Im(−1/ε) by Kramers-Kronig transformation and then the refractive index n and extinction coefficient k. The validity of the applied model was previously tested and found to give consistent results when applied to REELS spectra at energies between 300 and 1000 eV taken at widely different experimental geometries. In the present paper, we provide, for the first time, a further test on its validity and find that the model also gives consistent results when applied to REELS spectra in the full range of primary electron energies from 300 eV to 10000 eV. This gives confidence in the validity of the applied method.

  3. Characterization and quantitation of aprepitant drug substance polymorphs by attenuated total reflectance fourier transform infrared spectroscopy.

    Science.gov (United States)

    Helmy, Roy; Zhou, George X; Chen, Yadan W; Crocker, Louis; Wang, Tao; Wenslow, Robert M; Vailaya, Anant

    2003-02-01

    In this study, we report the use of attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FT-IR) for the identification and quantitation of two polymorphs of Aprepitant, a substance P antagonist for chemotherapy-induced emesis. Mixtures of the polymorph pair were prepared by weight and ATR-FT-IR spectra of the powdered samples were obtained over the wavelength range of 700-1500 cm(-1). Significant spectral differences between the two polymorphs at 1140 cm(-1) show that ATR-FT-IR can provide definitive identification of the polymorphs. To investigate the feasibility of ATR-FT-IR for quantitation of polymorphic forms of Aprepitant, a calibration plot was constructed with known mixtures of the two polymorphs by plotting the peak ratio of the second derivative of absorbance spectra against the weight percent of form II in the polymorphic mixture. Using this novel approach, 3 wt % of one crystal form could be detected in mixtures of the two polymorphs. The accuracy of ATR-FT-IR in determining polymorph purity of the drug substance was tested by comparing the results with those obtained by X-ray powder diffractometry (XRPD). Indeed, polymorphic purity results obtained by ATR-FT-IR were found to be in good agreement with the predictions made by XRPD and compared favorably with actual values in the known mixtures. The present study clearly demonstrates the potential of ATR-FT-IR as a quick, easy, and inexpensive alternative to XRPD for the determination of polymorphic identity and purity of solid drug substances. The technique is ideally suited for polymorph analysis, because it is precise, accurate, and requires minimal sample preparation.

  4. Non-invasive identification of organic materials in historical stringed musical instruments by reflection infrared spectroscopy: a methodological approach.

    Science.gov (United States)

    Invernizzi, Claudia; Daveri, Alessia; Vagnini, Manuela; Malagodi, Marco

    2017-05-01

    The analysis of historical musical instruments is becoming more relevant and the interest is increasingly moving toward the non-invasive reflection FTIR spectroscopy, especially for the analysis of varnishes. In this work, a specific infrared reflectance spectral library of organic compounds was created with the aim of identifying musical instrument materials in a totally non-invasive way. The analyses were carried out on pure organic compounds, as bulk samples and laboratory wooden models, to evaluate the diagnostic reflection mid-infrared (MIR) bands of proteins, polysaccharides, lipids, and resins by comparing reflection spectra before and after the KK correction. This methodological approach was applied to real case studies represented by four Stradivari violins and a Neapolitan mandolin.

  5. Wastewater Biosolid Composting Optimization Based on UV-VNIR Spectroscopy Monitoring

    OpenAIRE

    Temporal-Lara, Beatriz; Melendez-Pastor, Ignacio; G?mez, Ignacio; Navarro-Pedre?o, Jose

    2016-01-01

    Conventional wastewater treatment generates large amounts of organic matter–rich sludge that requires adequate treatment to avoid public health and environmental problems. The mixture of wastewater sludge and some bulking agents produces a biosolid to be composted at adequate composting facilities. The composting process is chemically and microbiologically complex and requires an adequate aeration of the biosolid (e.g., with a turner machine) for proper maturation of the compost. Adequate (ne...

  6. Terahertz time-domain attenuated total reflection spectroscopy applied to the rapid discrimination of the botanical origin of honeys

    Science.gov (United States)

    Liu, Wen; Zhang, Yuying; Yang, Si; Han, Donghai

    2018-05-01

    A new technique to identify the floral resources of honeys is demanded. Terahertz time-domain attenuated total reflection spectroscopy combined with chemometrics methods was applied to discriminate different categorizes (Medlar honey, Vitex honey, and Acacia honey). Principal component analysis (PCA), cluster analysis (CA) and partial least squares-discriminant analysis (PLS-DA) have been used to find information of the botanical origins of honeys. Spectral range also was discussed to increase the precision of PLS-DA model. The accuracy of 88.46% for validation set was obtained, using PLS-DA model in 0.5-1.5 THz. This work indicated terahertz time-domain attenuated total reflection spectroscopy was an available approach to evaluate the quality of honey rapidly.

  7. Disposable attenuated total reflection-infrared crystals from silicon wafer: a versatile approach to surface infrared spectroscopy.

    Science.gov (United States)

    Karabudak, Engin; Kas, Recep; Ogieglo, Wojciech; Rafieian, Damon; Schlautmann, Stefan; Lammertink, R G H; Gardeniers, Han J G E; Mul, Guido

    2013-01-02

    Attenuated total reflection-infrared (ATR-IR) spectroscopy is increasingly used to characterize solids and liquids as well as (catalytic) chemical conversion. Here we demonstrate that a piece of silicon wafer cut by a dicing machine or cleaved manually can be used as disposable internal reflection element (IRE) without the need for polishing and laborious edge preparation. Technical aspects, fundamental differences, and pros and cons of these novel disposable IREs and commercial IREs are discussed. The use of a crystal (the Si wafer) in a disposable manner enables simultaneous preparation and analysis of substrates and application of ATR spectroscopy in high temperature processes that may lead to irreversible interaction between the crystal and the substrate. As representative application examples, the disposable IREs were used to study high temperature thermal decomposition and chemical changes of polyvinyl alcohol (PVA) in a titania (TiO(2)) matrix and assemblies of 65-450 nm thick polystyrene (PS) films.

  8. THE STUDY OF CLINOPTILOLITE MODIFIED WITH3d METALS HALIDES BY IR AND DIFFUSE REFLECTANCE SPECTROSCOPY

    Directory of Open Access Journals (Sweden)

    T. L. Rakitskaya

    2015-11-01

    Full Text Available The results of investigation of natural clinoptilolite (N-CLI and that modified with 3d metal halides (MeCl2/N-CLI, where Me are Cu, Co, and Mn by IR and diffuse reflectance spectroscopy are summarized. A band at 3437 cm-1 assigned to stretching vibrations of hydroxyl groups (nOH is found in the IR spectrum of the N-CLI sample. A location of the band was practically the same as for all above MeCl2/N-CLI samples. A band of middle intensity at 1638 cm-1 in the range of deformation vibrations of zeolite water observed in the IR spectrum of N-CLI slightly displays to lower frequencies in the case of the modified samples. An intensive wide band of a complex shape in the range from 1250 to 980 cm-1 assigned to Si–O–Si and Si–O–Al vibrations appears in IR spectra of all samples. A doublet band of middle intensity at 797 and 778 cm-1 is assigned to external symmetric stretching T-O vibrations and a band at 606 cm-1-to vibrations of a double ring. A location of the above bands is the same for all listed samples but their intensity is higher for MnCl2/N-CLI and CoCl2/N-CLI samples. After the reaction with ozone, significant changes in the IR spectra are observed only for MnCl2/N-CLI. They are due to MnO2 formation on the clinoptilolite surface resulting in a high frequency displacement of some bands. Based on UV-vi spectroscopy results, it is reasonable to make conclusions about the coordination and valence state of a central atom in the MeCl2/N-CLI samples under study. A location of charge transfer bands for these samples only slightly differs from that for N-CLI however the intensity of such bands increases for the MeCl2/N-CLI samples. The UV-vis spectrum of MnCl2/N-CLI changes after the reaction with ozone: the appearance of new bands of  charge transfer at 363 and 354 nm and also the two-fold increase in intensity of a charge transfer band at 272 nm in comparison with those of N-CLI and MnCl2/N-CLI are the evidence of change in both the

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

    Science.gov (United States)

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

    2016-08-26

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

  10. Synchrotron Radiation Total Reflection X-ray Fluorescence Spectroscopy for Microcontamination Analysis on Silicon Wafer Surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Takaura, Norikatsu

    1997-10-01

    As dimensions in state-of-the-art CMOS devices shrink to less than 0.1 pm, even low levels of impurities on wafer surfaces can cause device degradation. Conventionally, metal contamination on wafer surfaces is measured using Total Reflection X-Ray Fluorescence Spectroscopy (TXRF). However, commercially available TXRF systems do not have the necessary sensitivity for measuring the lower levels of contamination required to develop new CMOS technologies. In an attempt to improve the sensitivity of TXRF, this research investigates Synchrotron Radiation TXRF (SR TXRF). The advantages of SR TXRF over conventional TXRF are higher incident photon flux, energy tunability, and linear polarization. We made use of these advantages to develop an optimized SR TXRF system at the Stanford Synchrotron Radiation Laboratory (SSRL). The results of measurements show that the Minimum Detection Limits (MDLs) of SR TXRF for 3-d transition metals are typically at a level-of 3x10{sup 8} atoms/cm{sup 2}, which is better than conventional TXRF by about a factor of 20. However, to use our SR TXRF system for practical applications, it was necessary to modify a commercially available Si (Li) detector which generates parasitic fluorescence signals. With the modified detector, we could achieve true MDLs of 3x10{sup 8} atoms/cm{sup 2} for 3-d transition metals. In addition, the analysis of Al on Si wafers is described. Al analysis is difficult because strong Si signals overlap the Al signals. In this work, the Si signals are greatly reduced by tuning the incident beam energy below the Si K edge. The results of our measurements show that the sensitivity for Al is limited by x-ray Raman scattering. Furthermore, we show the results of theoretical modeling of SR TXRF backgrounds consisting of the bremsstrahlung generated by photoelectrons, Compton scattering, and Raman scattering. To model these backgrounds, we extended conventional theoretical models by taking into account several aspects particular

  11. Surface characterization of selected polymer thin films by total-reflection x-ray fluorescence spectroscopy and x-ray reflectivity

    International Nuclear Information System (INIS)

    Innis, Vallerie Ann A.

    2006-01-01

    Development of available x-ray characterizations tools for grazing incidence techniques was done to be able to probe nano-size thin films. Alignment of a Philips x-ray powder diffractometer was improved to let it perform as an x-ray reflectometer. X-ray reflectometry was coupled with total-reflection x-ray fluorescence spectroscopy. Evaluation of the performance of this grazing incidence techniques was done by preparing polymer thin films of carboxymethylcellulose, carrageenan and polyvinylpyrrolidone (PVP). The thickness of the films were varied by varying the process parameters such as concentration, spin speed and spin time. Angle-dispersive total-reflection x-ray fluorescence spectroscopy profiles of three films showed film formation only in carrageenan and PVP. For both carrageenan and PVP, an increase in concentration yielded a corresponding increase in intensity of the fluorescent or scattered peaks. XRR profiles of carrageenan thin films yielded a mean value for the critical angle close to quartz substrate. Thickness measurements of the prepared carrageenan thin films showed that concentration was the main determinant for final film thickness over the other process parameters. Sulfur fluorescent intensity derived from the TXRF measurement showed a linear relationship with the measured thickness by XRR. For PVP, measured critical angle is lower than quartz. Poor adhesion of the polymer onto the substrate yielded a limited number of thickness measurements made from the XRR profiles. (Author)

  12. Exploiting Optical Contrasts for Cervical Precancer Diagnosis via Diffuse Reflectance Spectroscopy

    Science.gov (United States)

    Chang, Vivide Tuan-Chyan

    collagen without altering the amount of collagen present. Further work would be required to elucidate the exact sources of scattering contrast observed. Common confounding variables that limit the accuracy and clinical acceptability of optical spectroscopic systems are calibration requirements and variable probe-tissue contact pressures. Our results suggest that using a real-time self-calibration channel, as opposed to conventional post-experiment diffuse reflectance standard calibration measurements, significantly improved data integrity for the extraction of scattering contrast. Extracted [total Hb] and scattering were also significantly associated with applied contact probe pressure in colposcopically normal sites. Hence, future contact probe spectroscopy or imaging systems should incorporate a self-calibration channel and ensure spectral acquisition at a consistent contact pressure to collect reliable data with enhanced absorption and scattering contrasts. Another method to enhance optical contrast is to selectively interrogate different depths in the dysplastic cervix. For instance, scattering has been shown to increase in the epithelium (increase in nuclear-to-cytoplasmic ratio) while decrease in the stroma (re-organization of the extra-cellular matrix and changes in of collagen fiber cross-links). A fiber-optic probe with 45° illumination and collection fibers with a separation distance of 330 μm was designed and constructed to selectively interrogate the cervical epithelium. Mean extraction errors from liquid phantoms with optical properties mimicking the cervical epithelium for μa and μs' were 11.3 % and 12.7 %, respectively. Diffuse reflectance spectra from 9 sites in four loop electrosurgical excision procedure (LEEP) patients were analyzed. Preliminary data demonstrate the utility of the oblique fiber geometry in extracting scattering contrast in the cervical epithelium. Further work is needed to study the systematic error in optical property extraction and

  13. Reflections

    Directory of Open Access Journals (Sweden)

    Joanne Embree

    2001-01-01

    Full Text Available Ideally, editorials are written one to two months before publication in the Journal. It was my turn to write this one. I had planned to write the first draft the evening after my clinic on Tuesday, September 11. It didn't get done that night or during the next week. Somehow, the topic that I had originally chosen just didn't seem that important anymore as I, along my friends and colleagues, reflected on the changes that the events of that day were likely to have on our lives.

  14. Classification of Fusarium-Infected Korean Hulled Barley Using Near-Infrared Reflectance Spectroscopy and Partial Least Squares Discriminant Analysis

    Directory of Open Access Journals (Sweden)

    Jongguk Lim

    2017-09-01

    Full Text Available The purpose of this study is to use near-infrared reflectance (NIR spectroscopy equipment to nondestructively and rapidly discriminate Fusarium-infected hulled barley. Both normal hulled barley and Fusarium-infected hulled barley were scanned by using a NIR spectrometer with a wavelength range of 1175 to 2170 nm. Multiple mathematical pretreatments were applied to the reflectance spectra obtained for Fusarium discrimination and the multivariate analysis method of partial least squares discriminant analysis (PLS-DA was used for discriminant prediction. The PLS-DA prediction model developed by applying the second-order derivative pretreatment to the reflectance spectra obtained from the side of hulled barley without crease achieved 100% accuracy in discriminating the normal hulled barley and the Fusarium-infected hulled barley. These results demonstrated the feasibility of rapid discrimination of the Fusarium-infected hulled barley by combining multivariate analysis with the NIR spectroscopic technique, which is utilized as a nondestructive detection method.

  15. Hollow optical-fiber based infrared spectroscopy for measurement of blood glucose level by using multi-reflection prism.

    Science.gov (United States)

    Kino, Saiko; Omori, Suguru; Katagiri, Takashi; Matsuura, Yuji

    2016-02-01

    A mid-infrared attenuated total reflection (ATR) spectroscopy system employing hollow optical fibers and a trapezoidal multi-reflection ATR prism has been developed to measure blood glucose levels. Using a multi-reflection prism brought about higher sensitivity, and the flat and wide contact surface of the prism resulted in higher measurement reproducibility. An analysis of in vivo measurements of human inner lip mucosa revealed clear signatures of glucose in the difference spectra between ones taken during the fasting state and ones taken after ingestion of glucose solutions. A calibration plot based on the absorption peak at 1155 cm(-1) that originates from the pyranose ring structure of glucose gave measurement errors less than 20%.

  16. Tissue differentiation by diffuse reflectance spectroscopy for automated oral and maxillofacial laser surgery: ex vivo pilot study

    Science.gov (United States)

    Zam, Azhar; Stelzle, Florian; Tangermann-Gerk, Katja; Adler, Werner; Nkenke, Emeka; Schmidt, Michael; Douplik, Alexandre

    2010-02-01

    Remote laser surgery lacks of haptic feedback during the laser ablation of tissue. Hence, there is a risk of iatrogenic damage or destruction of anatomical structures like nerves or salivary glands. Diffuse reflectance spectroscopy provides a straightforward and simple approach for optical tissue differentiation. We measured diffuse reflectance from seven various tissue types ex vivo. We applied Linear Discriminant Analysis (LDA) to differentiate the seven tissue types and computed the area under the ROC curve (AUC). Special emphasis was taken on the identification of nerves and salivary glands as the most crucial tissue for maxillofacial surgery. The results show a promise for differentiating tissues as guidance for oral and maxillofacial laser surgery by means of diffuse reflectance.

  17. Diffuse Reflectance Spectroscopy of Hidden Objects, Part I: Interpretation of the Reflection-Absorption-Scattering Fractions in Near-Infrared (NIR) Spectra of Polyethylene Films.

    Science.gov (United States)

    Pomerantsev, Alexey L; Rodionova, Oxana Ye; Skvortsov, Alexej N

    2017-08-01

    Investigation of a sample covered by an interfering layer is required in many fields, e.g., for process control, biochemical analysis, and many other applications. This study is based on the analysis of spectra collected by near-infrared (NIR) diffuse reflectance spectroscopy. Each spectrum is a composition of a useful, target spectrum and a spectrum of an interfering layer. To recover the target spectrum, we suggest using a new phenomenological approach, which employs the multivariate curve resolution (MCR) method. In general terms, the problem is very complex. We start with a specific problem of analyzing a system, which consists of several layers of polyethylene (PE) film and underlayer samples with known spectral properties. To separate information originating from PE layers and the target, we modify the system versus both the number of the PE layers as well as the reflectance properties of the target sample. We consider that the interfering spectrum of the layer can be modeled using three components, which can be tentatively called transmission, absorption, and scattering contributions. The novelty of our approach is that we do not remove the reflectance and scattering effects from the spectra, but study them in detail aiming to use this information to recover the target spectrum.

  18. Improvement of Soil Moisture Retrieval from Hyperspectral VNIR-SWIR Data Using Clay Content Information: From Laboratory to Field Experiments

    Directory of Open Access Journals (Sweden)

    Rosa Oltra-Carrió

    2015-03-01

    Full Text Available The aim of this work is to study the constraints and performance of SMC retrieval methodologies in the VNIR (Visible-Near InfraRed and SWIR (ShortWave InfraRed regions (from 0.4 to 2.5 µm when passing from controlled laboratory conditions to field conditions. Five different approaches of signal processing found in literature were considered. Four local criteria are spectral indices (WISOIL, NSMI, NINSOL and NINSON. These indices are the ratios between the spectral reflectances acquired at two specific wavelengths to characterize moisture content in soil. The last criterion is based in the convex hull concept and it is a global method, which is based on the analysis of the full spectral signature of the soil. The database was composed of 464 and 9 spectra, respectively, measured over bare soils in laboratory and in-situ. For each measurement, SMC and texture were well-known and the database was divided in two parts dedicated to calibration and validation steps. The calibration part was used to define the empirical relation between SMC and SMC retrieval approaches, with coefficients of determination (R2 between 0.72 and 0.92. A clay content (CC dependence was detected for the NINSOL and NINSON indices. Consequently, two new criteria were proposed taking into account the CC contribution (NINSOLCC and NINSONCC. The well-marked regression between SMC and global/local indices, and the interest of using the CC, were confirmed during the validation step using laboratory data (R² superior to 0.76 and Root mean square errors inferior to 8.3% m3∙m−3 in all cases and using in-situ data, where WISOIL, NINSOLCC and NINSONCC criteria stand out among the NSMI and CH.

  19. Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Hellman, Hal

    1968-01-01

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

  20. Diffuse reflectance spectroscopy for optical nerve identification. Preliminary ex vivo results for feedback controlled oral and maxillofacial laser surgery

    Science.gov (United States)

    Stelzle, Florian; Zam, Azhar; Adler, Werner; Douplik, Alexandre; Tangermann-Gerk, Katja; Nkenke, Emeka; Neukam, Friedrich Wilhelm; Schmidt, Michael

    Objective: Laser surgery has many advantages. However, due to a lack of haptic feedback it is accompanied by the risk of iatrogenic nerve damage. The aim of this study was to evaluate the possibilities of optical nerve identification by diffuse reflectance spectroscopy to set the base for a feedback control system to enhance nerve preservation in oral and maxillofacial laser surgery. Materials and Methods: Diffuse reflectance spectra of nerve tissue, skin, mucosa, fat tissue, muscle, cartilage and bone (15120 spectra) of ex vivo pig heads were acquired in the wavelength range of 350-650 nm. Tissue differentiation was performed by principal components analysis (PCA) followed by linear discriminant analysis (LDA). Specificity and sensitivity were calculated by receiver operating characteristic (ROC) analysis and the area under curve (AUC). Results: Nerve tissue could correctly be identified and differed from skin, mucosa, fat tissue, muscle, cartilage and bone in more than 90% of the cases (AUC results) with a specificity of over 78% and a sensitivity of more than 86%. Conclusion: Nerve tissue can be identified by diffuse reflectance spectroscopy with high precision and reliability. The results may set the base for a feedback system to prevent iatrogenic nerve damage performing oral and maxillofacial laser surgery.

  1. Spectroscopy

    CERN Document Server

    Walker, S

    1976-01-01

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

  2. Carbon dioxide adsorption on a ZnO(101[combining macron]0) substrate studied by infrared reflection absorption spectroscopy.

    Science.gov (United States)

    Buchholz, Maria; Weidler, Peter G; Bebensee, Fabian; Nefedov, Alexei; Wöll, Christof

    2014-01-28

    The adsorption of carbon dioxide on the mixed-terminated ZnO(101[combining macron]0) surface of a bulk single crystal was studied by UHV Infrared Reflection Absorption Spectroscopy (IRRAS). In contrast to metals, the classic surface selection rule for IRRAS does not apply to bulk oxide crystals, and hence vibrational bands can also be observed for s-polarized light. Although this fact substantially complicates data interpretation, a careful analysis allows for a direct determination of the adsorbate geometry. Here, we demonstrate the huge potential of IR-spectroscopy for investigations on oxide single crystal surfaces by considering all three components of the incident polarized light separately. We find that the tridentate (surface) carbonate is aligned along the [0001] direction. A comparison to data reported previously for CO2 adsorbed on the surfaces of ZnO nanoparticles provides important insight into the role of defects in the surface chemistry of powder particles.

  3. Direct determination of lycopene content in tomatoes (Lycopersicon esculentum) by attenuated total reflectance infrared spectroscopy and multivariate analysis.

    Science.gov (United States)

    Halim, Yuwana; Schwartz, Steven J; Francis, David; Baldauf, Nathan A; Rodriguez-Saona, Luis E

    2006-01-01

    Lycopene is a potent antioxidant that has been shown to play critical roles in disease prevention. Efficient assays for detection and quantification of lycopene are desirable as alternatives to time- and labor-intensive methods. Attenuated total reflectance infrared (ATR-IR) spectroscopy was used for quantification of lycopene in tomato varieties. Calibration models were developed by partial least-squares regression (PLSR) using quantitative measures of lycopene concentration from liquid chromatography as reference method. IR spectra showed a distinct marker band at 957 cm(-1) for trans Carbon-Hydrogen (CH) deformation vibration of lycopene. PLSR models predicted the lycopene content accurately and reproducibly with a correlation coefficient (sigma) of 0.96 and standard error of cross-validation ATR-IR spectroscopy allowed for rapid, simple, and accurate determination of lycopene in tomatoes with minimal sample preparation. Results suggest that the ATR-IR method is applicable for high-throughput quantitative analysis and screening for lycopene in tomatoes.

  4. Prediction of water content in game trophies by near infrared reflectance spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Kamler, Jiří; Dvořák, J.

    2007-01-01

    Roč. 15, č. 6 (2007), s. 401-404 ISSN 0967-0335 R&D Projects: GA ČR GP206/03/P134 Institutional research plan: CEZ:AV0Z60930519 Keywords : bone * NIR spectroscopy * roe deer * moisture Subject RIV: GK - Forestry Impact factor: 1.218, year: 2007

  5. Simple and rapid quantification of total carotenoids in lyophilized apricots (prunus armeniaca L.) by means of reflectance colorimetry and photoacoustic spectrometry spectroscopy

    NARCIS (Netherlands)

    Doka, O.; Ficzek, G.; Luterotti, S.; Bicanic, D.D.; Spruijt, R.B.; Buijnsters, J.; Vegvari, G.

    2013-01-01

    Photoacoustic spectroscopy (PAS) and reflectance colorimetry are suggested as new tools for the analysis of total carotenoids in lyophilized apricot powders. The data obtained by these two techniques from seven apricot cultivars were compared to those acquired by spectrophotometry and

  6. CO 2 Capture Capacity and Swelling Measurements of Liquid-like Nanoparticle Organic Hybrid Materials via Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy

    KAUST Repository

    Park, Youngjune; Shin, Dolly; Jang, Young Nam; Park, Ah-Hyung Alissa

    2012-01-01

    attenuated total reflectance (ATR) Fourier transform infrared (FT-IR) spectroscopy. Simultaneous measurements of CO 2 capture capacity and swelling behaviors of polyetheramine (Jeffamine M-2070) and its corresponding NOHMs (NOHM-I-PE2070) were reported

  7. Optical reflection spectroscopy of thick corrosion layers on 304 stainless steel

    International Nuclear Information System (INIS)

    Castelli, R.A.; Persans, P.D.; Strohmayer, W.; Parkinson, V.

    2007-01-01

    Corrosion resistant structural materials of both iron and nickel based alloys are used in the electric power industry for the construction of the coolant loops of both conventional and nuclear power generating stations. These materials, in the presence of high temperature (e.g. 287 o C), high pH (e.g. 10.0 at 20 o C) water with dissolved hydrogen will oxidize and form corrosion films that are double metal oxides (or spinels) of the form AB 2 O 4 . This work describes optical reflectivity techniques that have been developed to study the growth of these films in situ. The optical technique uses a dual-beam specular reflection spectrometer to measure the spectrum of reflected light in small angle (i.e. o ) scatter. The reflection spectra are then calibrated using a set of corrosion coupons with corrosion films that are well known. Results are compared with models based on multilayer reflection and Mie scattering from a particle size distribution. Surface roughness is found to be the dominant cause of reduced reflection as the films grow

  8. Discrimination methods of biological contamination on fresh-cut lettuce based on VNIR and NIR hyperspectral imaging

    Science.gov (United States)

    Multispectral imaging algorithms were developed using visible-near-infrared (VNIR) and near-infrared (NIR) hyperspectral imaging (HSI) techniques to detect worms on fresh-cut lettuce. The optimal wavebands that detect worm on fresh-cut lettuce for each type of HSI were investigated using the one-way...

  9. Effective rumen degradation of dry matter, crude protein and neutral detergent fibre in forage determined by near infrared reflectance spectroscopy

    DEFF Research Database (Denmark)

    Ohlsson, C; Houmøller, L P; Weisbjerg, Martin Riis

    2007-01-01

    The objective of the present study was to examine if near infrared reflectance spectroscopy (NIRS) could be used to predict degradation parameters and effective degradation from scans of original forage samples. Degradability of dry matter (DM), crude protein (CP) and neutral detergent fibre (NDF......) of 61 samples of perennial ryegrass (Lolium perenne L.) and orchardgrass (Dactylis glomerata L.) was tested by using the in situ technique. The grass samples were harvested at three different stages, early vegetative growth, early reproductive growth and late reproductive growth. Degradability...

  10. Critical comparison of diffuse reflectance spectroscopy and colorimetry as dermatological diagnostic tools for acanthosis nigricans: a chemometric approach.

    Science.gov (United States)

    Devpura, Suneetha; Pattamadilok, Bensachee; Syed, Zain U; Vemulapalli, Pranita; Henderson, Marsha; Rehse, Steven J; Hamzavi, Iltefat; Lim, Henry W; Naik, Ratna

    2011-06-01

    Quantification of skin changes due to acanthosis nigricans (AN), a disorder common among insulin-resistant diabetic and obese individuals, was investigated using two optical techniques: diffuse reflectance spectroscopy (DRS) and colorimetry. Measurements were obtained from AN lesions on the neck and two control sites of eight AN patients. A principal component/discriminant function analysis successfully differentiated between AN lesion and normal skin with 87.7% sensitivity and 94.8% specificity in DRS measurements and 97.2% sensitivity and 96.4% specificity in colorimetry measurements.

  11. Attenuated total reflection UV spectroscopy for simultaneous analysis of alkali, sulphide and dissolved lignin in pulping liquors

    International Nuclear Information System (INIS)

    Chai, X.S.; Zhu, J.Y.; Luo, Q.; Li, J.

    2003-01-01

    This study experimentally demonstrated attenuated total reflection (ATR) ultraviolet (UV) spectroscopy for rapid and simultaneous determination of the concentrations of hydroxide, sulphide and dissolved lignin in kraft pulping liquors. A multivariate partial least squares fitting procedure (using commercially available software) was employed to obtain the species concentrations from the measured absorption spectra of the pulping liquors. Good agreements between ATR-UV measured species concentrations and those obtained by reference methods (titration for hydroxide and sulphide and conventional UV absorption for dissolved lignin) were achieved. (author)

  12. Determination of oxygen content and carbonate impurity in YBa2Cu3O7-x by diffuse reflectance infrared spectroscopy

    International Nuclear Information System (INIS)

    Merzbacher, C.I.; Bonner, B.P.

    1991-01-01

    Samples of YBa 2 Cu 3 O 7-x with x ranging from ∼0 to 0.65 have been analyzed by diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) in the midinfrared region (400--6000 cm -1 ). Spectral line shapes vary gradually as a function of oxygen stoichiometry, and the reflectance at 400 and 1000 cm -1 decreases linearly with decreasing oxygen content. Spectra of samples that were incompletely synthesized or exposed to a 4% CO 2 atmosphere at 650 degree C clearly indicated the presence of carbonate. DRIFTS is therefore a quick, nondestructive method for determining oxygen content in YBa 2 Cu 3 O 7-x powders, and for detecting carbonate species due to synthesis error or reaction with CO 2 -bearing atmosphere

  13. Total internal reflection sum-frequency generation spectroscopy and dense gold nanoparticles monolayer: a route for probing adsorbed molecules

    International Nuclear Information System (INIS)

    Tourillon, Gerard; Dreesen, Laurent; Volcke, Cedric; Sartenaer, Yannick; Thiry, Paul A; Peremans, Andre

    2007-01-01

    We show that sum-frequency generation spectroscopy performed in the total internal reflection configuration (TIR-SFG) combined with a dense gold nanoparticles monolayer allows us to study, with an excellent signal to noise ratio and high signal to background ratio, the conformation of adsorbed molecules. Dodecanethiol (DDT) was used as probe molecules in order to assess the potentialities of the approach. An enhancement of more than one order of magnitude of the SFG signals arising from the adsorbed species is observed with the TIR geometry compared to the external reflection one while the SFG non-resonant contribution remains the same for both configurations. Although further work is required to fully understand the origin of the SFG process on nanoparticles, our work opens new possibilities for studying nanostructures

  14. Reflections on hard X-ray photon-in/photon-out spectroscopy for electronic structure studies

    Energy Technology Data Exchange (ETDEWEB)

    Glatzel, Pieter, E-mail: glatzel@esrf.fr [European Synchrotron Radiation Facility, 6 Rue Jules Horowitz, 38043 Grenoble (France); Weng, Tsu-Chien; Kvashnina, Kristina; Swarbrick, Janine; Sikora, Marcin [European Synchrotron Radiation Facility, 6 Rue Jules Horowitz, 38043 Grenoble (France); Gallo, Erik [European Synchrotron Radiation Facility, 6 Rue Jules Horowitz, 38043 Grenoble (France); Department of Inorganic, Physical and Materials Chemistry, INSTM Reference Center and NIS Centre of Excellence, Università di Torino, Via P. Giuria 7, I-10125 Torino (Italy); Smolentsev, Nikolay [European Synchrotron Radiation Facility, 6 Rue Jules Horowitz, 38043 Grenoble (France); Research Center for Nanoscale Structure of Matter, Southern Federal University, str. Zorge 5, 344090 Rostov-on-Don (Russian Federation); Mori, Roberto Alonso [European Synchrotron Radiation Facility, 6 Rue Jules Horowitz, 38043 Grenoble (France)

    2013-06-15

    Highlights: ► Overview of some recent developments in hard X-ray RXES/RIXS. ► Evaluation of spectral line broadening in RXES/RIXS. ► Modelling of RXES/RIXS by ground state DFT calculations. ► Discussion on when HERFD provides a good approximation to XAS. -- Abstract: An increasing community of researchers in various fields of natural sciences is combining X-ray absorption with X-ray emission spectroscopy (XAS–XES) to study electronic structure. With the applications becoming more diverse, the objectives and the requirements in photon-in/photon-out spectroscopy are becoming broader. It is desirable to find simple experimental protocols, robust data reduction and theoretical tools that help the experimentalist to understand their data and learn about the electronic structure. This article presents a collection of considerations on non-resonant and resonant XES with the aim to guide the experimentalist to make good use of this technique.

  15. Reflection electron energy loss spectroscopy as efficient technique for the determination of optical properties of polystyrene intermixed with gold nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Deris, Jamileh [Department of Physics, Yasouj University, Yasouj 75918-74831 (Iran, Islamic Republic of); Hajati, Shaaker, E-mail: Hajati@mail.yu.ac.ir [Department of Physics, Yasouj University, Yasouj 75918-74831 (Iran, Islamic Republic of); Department of Semiconductors, Materials and Energy Research Center, Karaj 3177983634 (Iran, Islamic Republic of)

    2017-01-15

    Highlights: • Reflection Electron Energy Loss Spectroscopy of nano-metalized polymer. • Determination of real part of the dielectric function of nanostructured sample. • Determination of imaginary part of the dielectric function of nanostructured sample. • Determination of refractive index and coefficient of extinction of the sample. • Determination of reflection and absorption coefficients of nano-metalized Polymer. - Abstract: The electronic properties (electron inelastic cross section, energy loss function) of a nano-metalized polystyrene obtained by reflection electron energy loss spectroscopy (REELS) in a previous study [J. Deris, S. Hajati, S. Tougaard, V. Zaporojtchenko, Appl. Surf. Sci. 377 (2016) 44–47], which relies on the Yubero-Tougaard method, were used in the complementary application of Kramers-Kronig transformation to determine its optical properties such as the real part (ε{sub 1}) and imaginary part (ε{sub 2}) of the dielectric function (ε), refractive index (n), coefficients of extinction (k), reflection (R) and absorption (μ). The degree of intermixing of polystyrene thin film and gold nanoparticles of sizes 5.5 nm was controlled by annealing the sample to achieve a morphology in which the nanoparticles were homogeneously distributed within polystyrene. It is worth noting that no data are available on the optical properties of metalized polymers such as gold nanoparticles intermixed with polystyrene. Therefore, this work is of high importance in terms of both the sample studied here and the method applied. The advantage of the method applied here is that no information on the lateral distribution of the nanocomposite sample is required. This means that the REELS technique has been presented here to suitably, efficiently and easily obtain the optical properties of such nano-metalized polymer in which the metal nanoparticles have been vertically well distributed (homogeneous in depth). Therefore, for vertically homogeneous and

  16. Reflectance spectroscopy from TiO2 particles embedded in polyurethane

    DEFF Research Database (Denmark)

    Gudla, Visweswara Chakravarthy; Canulescu, Stela; Johansen, Villads Egede

    2013-01-01

    This paper presents the results of a physical simulation carried out using TiO2-Polyurethane composite coating on bright aluminium surface to understand the light scattering effect for designing white surfaces. Polyurethane matrix is selected due to the matching refractive index (1.7) with Al2O3...... layer on anodized aluminium surfaces. Three different TiO2 particle distributions were dispersed in polyurethane and spin coated onto high gloss and caustic etched aluminium substrates. Reflectance spectra of TiO2-polyurethane films of various concentrations were analysed using an integrating sphere....... The results show that the TiO2-polyurethane coatings have a high diffuse reflectance as a result of multiple scattering from TiO2 particles. Diffuse reflectance spectra of TiO2 containing films vary weakly with particle concentration and reach a steady state value at a concentration of 0.75 wt.%. Using...

  17. Portable instrument that integrates irradiation with fluorescence and reflectance spectroscopies during clinical photodynamic therapy of cutaneous disease

    Science.gov (United States)

    Cottrell, W. J.; Oseroff, A. R.; Foster, T. H.

    2006-06-01

    We report a portable clinical instrument for delivering photodynamic therapy (PDT) while performing noninvasive spectroscopic monitoring in vivo. Using an off-surface probe, the instrument delivers the treatment beam to a user-defined field on the skin and performs reflectance and fluorescence spectroscopies at two regions within this field. The instrument is being used to monitor photosensitizer fluorescence photobleaching, fluorescent photoproduct kinetics, blood volume, and hemoglobin oxygen saturation during a pilot clinical trial of 5-aminolevulinic acid-PDT treatment of superficial basal cell carcinoma (BCC). Protoporphyrin IX and photoproduct fluorescence excited by the 633nm PDT treatment laser is collected between 655 and 800nm. During a series of brief treatment interruptions at programable time points, white light reflectance spectra between 475 and 800nm are acquired. Fluorescence spectra are corrected for the effects of absorption and scattering, informed by the reflectance measurements, and then decomposed into known fluorophore contributions in real time using a robust singular value decomposition fitting routine. Reflectance spectra additionally provide information on blood volume and hemoglobin oxygen saturation. Monitoring blood oxygenation and implicit dose metrics such as photosensitizer photobleaching during PDT allows the improved interpretation of clinical results and is helping to guide the treatment protocol for an anticipated low-irradiance PDT clinical trial of BCC.

  18. Preliminary evaluation of optical glucose sensing in red cell concentrations using near-infrared diffuse-reflectance spectroscopy

    Science.gov (United States)

    Suzuki, Yusuke; Maruo, Katsuhiko; Zhang, Alice W.; Shimogaki, Kazushige; Ogawa, Hideto; Hirayama, Fumiya

    2012-01-01

    Bacterial contamination of blood products is one of the most frequent infectious complications of transfusion. Since glucose levels in blood supplies decrease as bacteria proliferate, it should be possible to detect the presence of bacterial contamination by measuring the glucose concentrations in the blood components. Hence this study is aimed to serve as a preliminary study for the nondestructive measurement of glucose level in transfusion blood. The glucose concentrations in red blood cell (RBC) samples were predicted using near-infrared diffuse-reflectance spectroscopy in the 1350 to 1850 nm wavelength region. Furthermore, the effects of donor, hematocrit level, and temperature variations among the RBC samples were observed. Results showed that the prediction performance of a dataset which contained samples that differed in all three parameters had a standard error of 29.3 mg/dL. Multiplicative scatter correction (MSC) preprocessing method was also found to be effective in minimizing the variations in scattering patterns created by various sample properties. The results suggest that the diffuse-reflectance spectroscopy may provide another avenue for the detection of bacterial contamination in red cell concentrations (RCC) products.

  19. Non-destructive evaluation of degradation in EB-PVD thermal barrier coatings by infrared reflectance spectroscopy

    International Nuclear Information System (INIS)

    Flattum, Richard Y.; Cooney, Adam T.

    2013-01-01

    At room temperature and atmospheric conditions infrared reflectance spectroscopy and X-ray diffraction were employed for the detection of the phase transformation and residual stress within thermal barrier coatings (TBC). The TBC's samples initially consisted of the porous ceramic topcoat deposited by electron beam plasma vapor deposition, a bond coat and a superalloy substrate. Reflectance spectroscopy scans were performed from 7497 cm −1 to 68 cm −1 to analysis the fingerprint region as well as the chemical bonding region. These regions should indicate if a detectable change within the TBC response is a result of thermal degradation of the microstructure and the changes in yttrium dispersion throughout the yttrium stabilized zirconium. The thermal degradation was induced by thermal cycling the samples to 1100° C and then cooling them in an atmospheric environment. X-ray diffraction was also used to detect the phase composition within the TBC samples and see if either would clearly identify failure prior to actual spallation. The eventual measurability and quantify-ability of the phase changes within the TBC's may be used as an effective non-destructive evaluation (NDE) technique that would allow personnel in the field to know when servicing of the turbine blade was necessary.

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

    Science.gov (United States)

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

    2016-09-01

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

  1. Study of Surface Wettability Change of Unconsolidated Sand Using Diffuse Reflectance Infrared Fourier Transform Spectroscopy and Thermogravimetric Analysis.

    Science.gov (United States)

    Gómora-Herrera, Diana; Navarrete Bolaños, Juan; Lijanova, Irina V; Olivares-Xometl, Octavio; Likhanova, Natalya V

    2018-04-01

    The effects exerted by the adsorption of vapors of a non-polar compound (deuterated benzene) and a polar compound (water) on the surface of Ottawa sand and a sample of reservoir sand (Channel), which was previously impregnated with silicon oil or two kinds of surfactants, (2-hydroxyethyl) trimethylammonium oleate (HETAO) and (2-hydroxyethyl)trimethylammonium azelate (HETAA), were studied by diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and thermogravimetric analysis (TGA). The surface chemistry of the sandstone rocks was elucidated by X-ray photoelectron spectroscopy (XPS) and scanning electron microscopy (SEM) with energy dispersive X-ray spectroscopy (EDX). Terminal surface groups such as hydroxyls can strongly adsorb molecules that interact with these surface groups (surfactants), resulting in a wettability change. The wettability change effect suffered by the surface after treating it with surfactants was possible to be detected by the DRIFTS technique, wherein it was observed that the surface became more hydrophobic after being treated with silicon oil and HETAO; the surface became more hydrophilic after treating it with HETAA.

  2. The application of Near Infrared Reflectance Spectroscopy (NIRS for the quantitative analysis of hydrocortisone in primary materials

    Directory of Open Access Journals (Sweden)

    A. PITTAS

    2001-03-01

    Full Text Available Near Infrared Reflectance Spectroscopy (NIRS, coupled with fiber optic probes, has been shown to be a quick and reliable analytical tool for quality assurance and quality control in the pharmaceutical industry, both for verifications of raw materials and quantification of the active ingredients in final products. In this paper, a typical pharmaceutical product, hydrocortisone sodium succinate, is used as an example for the application of NIR spectroscopy for quality control. In order to develop an NIRS method with higher precision and accuracy than the official UV/VIS spectroscopic method (BP '99, 19 samples, taken from one year’s production and several prepared in the laboratory, having a hydrocortisone sodium succinate concentration in the range from 89.05%to 95.83 %, were analysed by NIR and UV/VIS spectroscopy. Three frequency ranges: 5939.73–5627.32 cm-1; 4863.64 – 4574.36 cm-1; 4308.23–4200.24 cm-1, with the best positive correlation between the changes in the spectral and concentration data, were chosen. The validity of the developed NIRS chemometric method for the determination of the hydrocortisone sodium succinate concentration, constructed by the partial least squares (PLS regression technique, is discussed. A correlation coefficient of 0.9758 and a standard error of cross validation (RMSECVof 1.06%were found between the UV/VI Sand òhe NIR spectroscopic results of the hydrocortisone sodium succinate concentration in the samples.

  3. Quantification of SOC and Clay Content Using Visible Near-Infrared Reflectance–Mid-Infrared Reflectance Spectroscopy With Jack-Knifing Partial Least Squares Regression

    DEFF Research Database (Denmark)

    Peng, Yi; Knadel, Maria; Gislum, René

    2014-01-01

    A total of 125 soil samples were collected from a Danish field varying in soil texture from sandy to loamy. Visible near-infrared reflectance (Vis-NIR) and mid-infrared reflectance (MIR) spectroscopy combined with chemometric methods were used to predict soil organic carbon (SOC) and clay content...

  4. ChemCam passive reflectance spectroscopy of surface materials at the Curiosity landing site, Mars

    Science.gov (United States)

    Johnson, Jeffrey R.; Bell, J. F.; Bender, S.; Blaney, D.; Cloutis, E.; DeFlores, L.; Ehlmann, B.; Gasnault, O.; Gondet, B.; Kinch, K.; Lemmon, M.; Le Mouélic, S.; Maurice, S.; Rice, M.; Wiens, R. C.

    2015-03-01

    The spectrometers on the Mars Science Laboratory (MSL) ChemCam instrument were used in passive mode to record visible/near-infrared (400-840 nm) radiance from the martian surface. Using the onboard ChemCam calibration targets' housing as a reflectance standard, we developed methods to collect, calibrate, and reduce radiance observations to relative reflectance. Such measurements accurately reproduce the known reflectance spectra of other calibration targets on the rover, and represent the highest spatial resolution (0.65 mrad) and spectral sampling (rocks and soils match those from orbital observations and multispectral data from the MSL Mastcam camera. Preliminary analyses of the band depths, spectral slopes, and reflectance ratios of the more than 2000 spectra taken during the first year of MSL operations demonstrate at least six spectral classes of materials distinguished by variations in ferrous and ferric components. Initial comparisons of ChemCam spectra to laboratory spectra of minerals and Mars analog materials demonstrate similarities with palagonitic soils and indications of orthopyroxene in some dark rocks. Magnesium-rich "raised ridges" tend to exhibit distinct near-infrared slopes. The ferric absorption downturn typically found for martian materials at rocks and drill tailings, consistent with their more ferrous nature. Calcium-sulfate veins exhibit the highest relative reflectances observed, but are still relatively red owing to the effects of residual dust. Such dust is overall less prominent on rocks sampled within the "blast zone" immediately surrounding the landing site. These samples were likely affected by the landing thrusters, which partially removed the ubiquitous dust coatings. Increased dust coatings on the calibration targets during the first year of the mission were documented by the ChemCam passive measurements as well. Ongoing efforts to model and correct for this dust component should improve calibration of the relative reflectance

  5. An investigation of Oxygen adsorption on W(110) using reflectance anisotropy spectroscopy

    International Nuclear Information System (INIS)

    Zeybek, O.

    2004-01-01

    The probe of metal surface electronic structure and results of the oxidation of a BCC material and the first Joint Density of States interpretation of the spectrum from same metal have been presented. The surface sensitivity of RAS has been exploited when applied to a cubic single crystal to study the surface electronic structure of W(110) and the resulting chemisorption-induced changes upon exposure to oxygen. Oxidation of the surface is monitored until a final exposure of 10 Langmuirs is reached. A decrease of reflectance anisotropy signal is obtained with increasing oxygen coverage on the substrate and a coverage of ∼0.75 ML results in zero anisotropy over the reflectance anisotropy energy range

  6. An investigation of Oxygen adsorption on W(110) using reflectance anisotropy spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Zeybek, O [Department of Physics, Balikesir University, Balikesir (Turkey)

    2004-07-01

    The probe of metal surface electronic structure and results of the oxidation of a BCC material and the first Joint Density of States interpretation of the spectrum from same metal have been presented. The surface sensitivity of RAS has been exploited when applied to a cubic single crystal to study the surface electronic structure of W(110) and the resulting chemisorption-induced changes upon exposure to oxygen. Oxidation of the surface is monitored until a final exposure of 10 Langmuirs is reached. A decrease of reflectance anisotropy signal is obtained with increasing oxygen coverage on the substrate and a coverage of {approx}0.75 ML results in zero anisotropy over the reflectance anisotropy energy range.

  7. Plasmonic reflectance anisotropy spectroscopy of metal nanoparticles on a semiconductor surface

    Science.gov (United States)

    Kosobukin, V. A.; Korotchenkov, A. V.

    2016-12-01

    A theory of plasmonic differential anisotropic reflection of light from nanoparticles located near the interface between media is developed. The model of a monolayer consisting of identical ellipsoidal metal particles occupying sites of a rectangular lattice is investigated. Effective plasmonic polarizabilities of nanoparticles in the layer are calculated self-consistently using the Green's function technique in the quasipoint dipole approximation. The local-field effect caused by anisotropic dipole plasmons of particles in the layer and their image dipoles is taken into account. The lately observed resonant reflectance anisotropy spectra of indium nanoclusters on InAs surface are explained by the difference between frequencies of plasmons with the orthogonal polarizations in the surface plane. The difference between the plasmon frequencies is attributed to anisotropy of the particles shape or/and the layer structure; the signs of frequency difference for the two types of anisotropy being different.

  8. Using Reflectance Spectroscopy and Artificial Neural Network to Assess Water Infiltration Rate into the Soil Profile

    Directory of Open Access Journals (Sweden)

    Naftali Goldshleger

    2012-01-01

    Full Text Available We explored the effect of raindrop energy on both water infiltration into soil and the soil's NIR-SWIR spectral reflectance (1200–2400 nm. Seven soils with different physical and morphological properties from Israel and the US were subjected to an artificial rainstorm. The spectral properties of the crust formed on the soil surface were analyzed using an artificial neural network (ANN. Results were compared to a study with the same population in which partial least-squares (PLS regression was applied. It was concluded that both models (PLS regression and ANN are generic as they are based on properties that correlate with the physical crust, such as clay content, water content and organic matter. Nonetheless, better results for the connection between infiltration rate and spectral properties were achieved with the non-linear ANN technique in terms of statistical values (RMSE of 17.3% for PLS regression and 10% for ANN. Furthermore, although both models were run at the selected wavelengths and their accuracy was assessed with an independent external group of samples, no pre-processing procedure was applied to the reflectance data when using ANN. As the relationship between infiltration rate and soil reflectance is not linear, ANN methods have the advantage for examining this relationship when many soils are being analyzed.

  9. Continuous-wave cavity ringdown spectroscopy based on the control of cavity reflection.

    Science.gov (United States)

    Li, Zhixin; Ma, Weiguang; Fu, Xiaofang; Tan, Wei; Zhao, Gang; Dong, Lei; Zhang, Lei; Yin, Wangbao; Jia, Suotang

    2013-07-29

    A new type of continuous-wave cavity ringdown spectrometer based on the control of cavity reflection for trace gas detection was designed and evaluated. The technique separated the acquisitions of the ringdown event and the trigger signal to optical switch by detecting the cavity reflection and transmission, respectively. A detailed description of the time sequence of the measurement process was presented. In order to avoid the wrong extraction of ringdown time encountered accidentally in fitting procedure, the laser frequency and cavity length were scanned synchronously. Based on the statistical analysis of measured ringdown times, the frequency normalized minimum detectable absorption in the reflection control mode was 1.7 × 10(-9)cm(-1)Hz(-1/2), which was 5.4 times smaller than that in the transmission control mode. However the signal-to-noise ratio of the absorption spectrum was only 3 times improved since the etalon effect existed. Finally, the peak absorption coefficients of the C(2)H(2) transition near 1530.9nm under different pressures showed a good agreement with the theoretical values.

  10. Pressure-modulation dynamic attenuated-total-reflectance (ATR) FT-IR spectroscopy

    Science.gov (United States)

    Marcott, C.; Story, G. M.; Noda, I.; Bibby, A.; Manning, C. J.

    1998-06-01

    A single-reflectance attenuated-total-reflectance (ATR) accessory with a diamond internal-reflection element was modified by the addition of a piezoelectric transducer. Initial dynamic pressure-modulation experiments have been performed in the sample compartment of a step-scanning FT-IR spectrometer. A sinusoidal pressure modulation applied to samples of isotactic polypropylene and linear low density polyethylene resulted in dynamic responses which appear to be similar to those observed in previous dynamic 2D IR experiments. Preliminary pressure-modulation dynamic ATR results are also reported for a styrene-butadiene-styrene triblock copolymer. The new method has the advantages that a much wider variety of sample types and geometries can be studied and less sample preparation is required. Dynamic 2D IR experiments carried out by ATR no longer require thin films of large area and sufficient strength to withstand the dynamic strain applied by a rheometer. The ability to obtain dynamic IR spectroscopic information from a wider variety of sample types and thicknesses would greatly expand the amount of useful information that could be extracted from normally complicated, highly overlapped IR spectra.

  11. NuSTAR SPECTROSCOPY OF MULTI-COMPONENT X-RAY REFLECTION FROM NGC 1068

    Energy Technology Data Exchange (ETDEWEB)

    Bauer, Franz E. [Pontificia Universidad Católica de Chile, Instituto de Astrofísica, Casilla 306, Santiago 22 (Chile); Arévalo, Patricia [EMBIGGEN Anillo, Concepción (Chile); Walton, Dominic J.; Baloković, Mislav; Brightman, Murray; Harrison, Fiona A. [Cahill Center for Astronomy and Astrophysics, California Institute of Technology, Pasadena, CA 91125 (United States); Koss, Michael J. [Institute for Astronomy, Department of Physics, ETH Zurich, Wolfgang-Pauli-Strasse 27, CH-8093 Zurich (Switzerland); Puccetti, Simonetta [ASDC-ASI, Via del Politecnico, I-00133 Roma (Italy); Gandhi, Poshak [School of Physics and Astronomy, University of Southampton, Highfield, Southampton SO17 1BJ (United Kingdom); Stern, Daniel [Jet Propulsion Laboratory, California Institute of Technology, 4800 Oak Grove Drive, Pasadena, CA 91109 (United States); Alexander, David M.; Moro, Agnese Del [Department of Physics, Durham University, South Road, Durham, DH1 3LE (United Kingdom); Boggs, Steve E.; Craig, William W. [Space Sciences Laboratory, University of California, Berkeley, CA 94720 (United States); Brandt, William N.; Luo, Bin [Department of Astronomy and Astrophysics, The Pennsylvania State University, 525 Davey Lab, University Park, PA 16802 (United States); Christensen, Finn E. [DTU Space, National Space Institute, Technical University of Denmark, Elektrovej 327, DK-2800 Lyngby (Denmark); Comastri, Andrea [INAF-Osservatorio Astronomico di Bologna, via Ranzani 1, I-40127 Bologna (Italy); Hailey, Charles J. [Columbia Astrophysics Laboratory, Columbia University, New York, NY 10027 (United States); Hickox, Ryan [Department of Physics and Astronomy, Dartmouth College, 6127 Wilder Laboratory, Hanover, NH 03755 (United States); and others

    2015-10-20

    We report on high-energy X-ray observations of the Compton-thick Seyfert 2 galaxy NGC 1068 with NuSTAR, which provide the best constraints to date on its >10 keV spectral shape. The NuSTAR data are consistent with those from past and current instruments to within cross-calibration uncertainties, and we find no strong continuum or line variability over the past two decades, which is in line with its X-ray classification as a reflection-dominated Compton-thick active galactic nucleus. The combined NuSTAR, Chandra, XMM-Newton, and Swift BAT spectral data set offers new insights into the complex secondary emission seen instead of the completely obscured transmitted nuclear continuum. The critical combination of the high signal-to-noise NuSTAR data and the decomposition of the nuclear and extranuclear emission with Chandra allow us to break several model degeneracies and greatly aid physical interpretation. When modeled as a monolithic (i.e., a single N{sub H}) reflector, none of the common Compton reflection models are able to match the neutral fluorescence lines and broad spectral shape of the Compton reflection hump without requiring unrealistic physical parameters (e.g., large Fe overabundances, inconsistent viewing angles, or poor fits to the spatially resolved spectra). A multi-component reflector with three distinct column densities (e.g., with best-fit values of N{sub H} of 1.4 × 10{sup 23}, 5.0 × 10{sup 24}, and 10{sup 25} cm{sup −2}) provides a more reasonable fit to the spectral lines and Compton hump, with near-solar Fe abundances. In this model, the higher N{sub H} component provides the bulk of the flux to the Compton hump, while the lower N{sub H} component produces much of the line emission, effectively decoupling two key features of Compton reflection. We find that ≈30% of the neutral Fe Kα line flux arises from >2″ (≈140 pc) and is clearly extended, implying that a significant fraction (and perhaps most) of the <10 keV reflected component

  12. Proton magnetic resonance spectroscopy reflects metabolic decompensation in maple syrup urine disease

    Energy Technology Data Exchange (ETDEWEB)

    Heindel, W. [Dept. of Diagnostic Radiology, Univ. Koeln (Germany); Kugel, H. [Dept. of Diagnostic Radiology, Univ. Koeln (Germany); Wendel, U. [Children`s Hospital, Univ. Duesseldorf (Germany); Roth, B. [Children`s Hospital, Univ. Koeln (Germany); Benz-Bohm, G. [Dept. of Diagnostic Radiology, Univ. Koeln (Germany)

    1995-06-01

    Using localized proton magnetic resonance spectroscopy ({sup 1}H-MRS), accumulation of branchedchain amino acids (BCAA) and their corresponding 2-oxo acids (BCOA) could be non-invasively demonstrated in the brain of a 9-year-old girl suffering from classical maple syrup urine disease. During acute metabolic decompensation, the compounds caused a signal at a chemical shift of 0.9 ppm which was assigned by in vitro experiments. The brain tissue concentration of the sum of BCAA and BCOA could be estimated as 0.9 mmol/l. Localized {sup 1}H-MRS of the brain appears to be suitable for examining patients suffering from maple syrup urine disease in different metabolic states. (orig.)

  13. Proton magnetic resonance spectroscopy reflects metabolic decompensation in maple syrup urine disease

    International Nuclear Information System (INIS)

    Heindel, W.; Kugel, H.; Wendel, U.; Roth, B.; Benz-Bohm, G.

    1995-01-01

    Using localized proton magnetic resonance spectroscopy ( 1 H-MRS), accumulation of branchedchain amino acids (BCAA) and their corresponding 2-oxo acids (BCOA) could be non-invasively demonstrated in the brain of a 9-year-old girl suffering from classical maple syrup urine disease. During acute metabolic decompensation, the compounds caused a signal at a chemical shift of 0.9 ppm which was assigned by in vitro experiments. The brain tissue concentration of the sum of BCAA and BCOA could be estimated as 0.9 mmol/l. Localized 1 H-MRS of the brain appears to be suitable for examining patients suffering from maple syrup urine disease in different metabolic states. (orig.)

  14. Early detection of melanoma with the combined use of acoustic microscopy, infrared reflectance and Raman spectroscopy

    Science.gov (United States)

    Karagiannis, Georgios T.; Grivas, Ioannis; Tsingotjidou, Anastasia; Apostolidis, Georgios K.; Grigoriadou, Ifigeneia; Dori, I.; Poulatsidou, Kyriaki-Nefeli; Doumas, Argyrios; Wesarg, Stefan; Georgoulias, Panagiotis

    2015-03-01

    Malignant melanoma is a form of skin cancer, with increasing incidence worldwide. Early diagnosis is crucial for the prognosis and treatment of the disease. The objective of this study is to develop a novel animal model of melanoma and apply a combination of the non-invasive imaging techniques acoustic microscopy, infrared (IR) and Raman spectroscopies, for the detection of developing tumors. Acoustic microscopy provides information about the 3D structure of the tumor, whereas, both spectroscopic modalities give qualitative insight of biochemical changes during melanoma development. In order to efficiently set up the final devices, propagation of ultrasonic and electromagnetic waves in normal skin and melanoma simulated structures was performed. Synthetic and grape-extracted melanin (simulated tumors), endermally injected, were scanned and compared to normal skin. For both cases acoustic microscopy with central operating frequencies of 110MHz and 175MHz were used, resulting to the tomographic imaging of the simulated tumor, while with the spectroscopic modalities IR and Raman differences among spectra of normal and melanin- injected sites were identified in skin depth. Subsequently, growth of actual tumors in an animal melanoma model, with the use of human malignant melanoma cells was achieved. Acoustic microscopy and IR and Raman spectroscopies were also applied. The development of tumors at different time points was displayed using acoustic microscopy. Moreover, the changes of the IR and Raman spectra were studied between the melanoma tumors and adjacent healthy skin. The most significant changes between healthy skin and the melanoma area were observed in the range of 900-1800cm-1 and 350-2000cm-1, respectively.

  15. Discrimination of the hard keratins animal horn and chelonian shell using attenuated total reflection-infrared spectroscopy.

    Science.gov (United States)

    Biscardi, Brianna; Welsh, Wendy; Kennedy, Anthony

    2012-05-01

    The ability to discriminate between objects manufactured from animal horn and chelonian (turtle, tortoise, or terrapin) shell is important from a cultural and archeological perspective such that it may allow conservators to determine the appropriate treatment and long-term care solution. It would also aid curators in identifying and cataloging items manufactured from these materials. Discrimination and classification is also a valuable tool for those involved in tracking the illegal trade in restricted materials of this nature. Attenuated total reflection infrared (ATR-IR) spectroscopy, using a single reflection diamond internal reflection element (IRE), coupled with discrimination analysis was used to analyze a total of thirty-nine samples (29 calibration samples, 10 validation samples). A discrimination analysis model was constructed using Mahalanobis distances to classify spectra into one of two classes. The model was then subsequently used to successfully classify all validation samples and correctly identify them as animal horn or chelonian shell based on second-derivative spectra of the amide I and II regions. This technique requires minimal to no sample preparation and may be used to nondestructively identify very small samples successfully without performing detailed secondary structural curve-fitting routines. This model should be a valuable resource to museums, conservators, and wildlife management programs for rapidly and reliably discriminating between animal horn and chelonian shell.

  16. NuSTAR SPECTROSCOPY OF GRS 1915+105: DISK REFLECTION, SPIN, AND CONNECTIONS TO JETS

    Energy Technology Data Exchange (ETDEWEB)

    Miller, J. M.; King, A. L. [Department of Astronomy, The University of Michigan, 500 Church Street, Ann Arbor, MI 48109-1046 (United States); Parker, M. L.; Fabian, A. C. [Institute of Astronomy, The University of Cambridge, Madingley Road, Cambridge CB3 OHA (United Kingdom); Fuerst, F.; Walton, D. J. [Cahill Center for Astronomy and Astrophysics, California Institute of Technology, Pasadena, CA, 91125 (United States); Bachetti, M.; Harrison, F. A.; Barret, D.; Grefenstette, B. W. [Universite de Toulouse, UPS-OMP, F-31400 Toulouse (France); Boggs, S. E.; Tomsick, J. A. [Space Sciences Laboratory, University of California, Berkeley, 7 Gauss Way, Berkeley, CA 94720-7450 (United States); Chakrabarty, D. [Kavli Institute for Astrophysics and Space Research, Massachusetts Institute of Technology, 70 Vassar Street, Cambridge, MA 02139 (United States); Christensen, F. E. [Danish Technical University, DK-2800 Lyngby (Denmark); Craig, W. W. [Lawrence Livermore National Laboratory, Livermore, CA (United States); Hailey, C. J. [Columbia University, New York, NY 10027 (United States); Stern, D. K. [Jet Propulsion Laboratory, California Institute of Technology, 4800 Oak Grove Drive, Pasadena, CA 91109 (United States); Zhang, W. W., E-mail: jonmm@umich.edu [NASA Goddard Space Flight Center, Greenbelt, MD 20771 (United States)

    2013-10-01

    We report on the results of spectral fits made to a NuSTAR observation of the black hole GRS 1915+105 in a 'plateau' state. This state is of special interest because it is similar to the 'low/hard' state seen in other black holes, especially in that compact, steady jets are launched in this phase. The 3-79 keV bandpass of NuSTAR, and its ability to obtain moderate-resolution spectra free from distortions such as photon pile-up, are extremely well suited to studies of disk reflection in X-ray binaries. In only 15 ks of net exposure, an extraordinarily sensitive spectrum of GRS 1915+105 was measured across the full bandpass. Ionized reflection from a disk around a rapidly spinning black hole is clearly required to fit the spectra; even hybrid Comptonization models including ionized reflection from a disk around a Schwarzschild black hole proved inadequate. A spin parameter of a = 0.98 ± 0.01 (1σ statistical error) is measured via the best-fit model; low spins are ruled out at a high level of confidence. This result suggests that jets can be launched from a disk extending to the innermost stable circular orbit. A very steep inner disk emissivity profile is also measured, consistent with models of compact coronae above Kerr black holes. These results support an emerging association between the hard X-ray corona and the base of the relativistic jet.

  17. Identification of Uranium Minerals in Natural U-Bearing Rocks Using Infrared Reflectance Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Beiswenger, Toya N. [Pacific Northwest National Laboratory, Richland, WA, USA; Gallagher, Neal B. [Eigenvector Research, Inc., Manson, WA, USA; Myers, Tanya L. [Pacific Northwest National Laboratory, Richland, WA, USA; Szecsody, James E. [Pacific Northwest National Laboratory, Richland, WA, USA; Tonkyn, Russell G. [Pacific Northwest National Laboratory, Richland, WA, USA; Su, Yin-Fong [Pacific Northwest National Laboratory, Richland, WA, USA; Sweet, Lucas E. [Pacific Northwest National Laboratory, Richland, WA, USA; Lewallen, Tricia A. [Pacific Northwest National Laboratory, Richland, WA, USA; Johnson, Timothy J. [Pacific Northwest National Laboratory, Richland, WA, USA

    2017-10-24

    The identification of minerals, including uranium-bearing minerals, is traditionally a labor-intensive-process using x-ray diffraction (XRD), fluorescence, or other solid-phase and wet chemical techniques. While handheld XRD and fluorescence instruments can aid in field identification, handheld infrared reflectance spectrometers can also be used in industrial or field environments, with rapid, non-destructive identification possible via spectral analysis of the solid’s reflectance spectrum. We have recently developed standard laboratory measurement methods for the infrared (IR) reflectance of solids and have investigated using these techniques for the identification of uranium-bearing minerals, using XRD methods for ground-truth. Due to the rich colors of such species, including distinctive spectroscopic signatures in the infrared, identification is facile and specific, both for samples that are pure or are partially composed of uranium (e.g. boltwoodite, schoepite, tyuyamunite, carnotite, etc.) or non-uranium minerals. The method can be used to detect not only pure and partial minerals, but is quite sensitive to chemical change such as hydration (e.g. schoepite). We have further applied statistical methods, in particular classical least squares (CLS) and multivariate curve resolution (MCR) for discrimination of such uranium minerals and two uranium pure chemicals (U3O8 and UO2) against common background materials (e.g. silica sand, asphalt, calcite, K-feldspar) with good success. Each mineral contains unique infrared spectral features; some of the IR features are similar or common to entire classes of minerals, typically arising from similar chemical moieties or functional groups in the minerals: phosphates, sulfates, carbonates, etc. These characteristic 2 infrared bands generate the unique (or class-specific) bands that distinguish the mineral from the interferents or backgrounds. We have observed several cases where the chemical moieties that provide the

  18. Spectroscopy

    DEFF Research Database (Denmark)

    Berg, Rolf W.

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

  19. Probing Ultrafast Electron Dynamics at Surfaces Using Soft X-Ray Transient Reflectivity Spectroscopy

    Science.gov (United States)

    Baker, L. Robert; Husek, Jakub; Biswas, Somnath; Cirri, Anthony

    The ability to probe electron dynamics with surface sensitivity on the ultrafast time scale is critical for understanding processes such as charge separation, injection, and surface trapping that mediate efficiency in catalytic and energy conversion materials. Toward this goal, we have developed a high harmonic generation (HHG) light source for femtosecond soft x-ray reflectivity. Using this light source we investigated the ultrafast carrier dynamics at the surface of single crystalline α-Fe2O3, polycrystalline α-Fe2O3, and the mixed metal oxide, CuFeO2. We have recently demonstrated that CuFeO2 in particular is a selective catalyst for photo-electrochemical CO2 reduction to acetate; however, the role of electronic structure and charge carrier dynamics in mediating catalytic selectivity has not been well understood. Soft x-ray reflectivity measurements probe the M2,3, edges of the 3d transition metals, which provide oxidation and spin state resolution with element specificity. In addition to chemical state specificity, these measurements are also surface sensitive, and by independently simulating the contributions of the real and imaginary components of the complex refractive index, we can differentiate between surface and sub-surface contributions to the excited state spectrum. Accordingly, this work demonstrates the ability to probe ultrafast carrier dynamics in catalytic materials with element and chemical state specificity and with surface sensitivity.

  20. Testing the Kerr Black Hole Hypothesis Using X-Ray Reflection Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Bambi, Cosimo; Nampalliwar, Sourabh [Center for Field Theory and Particle Physics and Department of Physics, Fudan University, 200433 Shanghai (China); Cárdenas-Avendaño, Alejandro [Programa de Matemática, Fundación Universitaria Konrad Lorenz, 110231 Bogotá (Colombia); Dauser, Thomas [Remeis Observatory and ECAP, Universität Erlangen-Nürnberg, D-96049 Bamberg (Germany); García, Javier A., E-mail: bambi@fudan.edu.cn [Harvard-Smithsonian Center for Astrophysics, Cambridge, MA 02138 (United States)

    2017-06-20

    We present the first X-ray reflection model for testing the assumption that the metric of astrophysical black holes is described by the Kerr solution. We employ the formalism of the transfer function proposed by Cunningham. The calculations of the reflection spectrum of a thin accretion disk are split into two parts: the calculation of the transfer function and the calculation of the local spectrum at any emission point in the disk. The transfer function only depends on the background metric and takes into account all the relativistic effects (gravitational redshift, Doppler boosting, and light bending). Our code computes the transfer function for a spacetime described by the Johannsen metric and can easily be extended to any stationary, axisymmetric, and asymptotically flat spacetime. Transfer functions and single line shapes in the Kerr metric are compared to those calculated from existing codes to check that we reach the necessary accuracy. We also simulate some observations with NuSTAR and LAD/eXTP and fit the data with our new model to show the potential capabilities of current and future observations to constrain possible deviations from the Kerr metric.

  1. Hygrothermal degradation of (3-glycidoxypropyl)trimethoxysilane films studied by neutron and X-ray reflectivity and attenuated total reflection infrared spectroscopy

    International Nuclear Information System (INIS)

    Tallant, David Robert; Garcia, Manuel Joseph; Majewski, Jaroslaw; Kent, Michael Stuart; Yim, Hyun

    2005-01-01

    Thin films of organosilanes have great technological importance in the areas of adhesion promotion, durability, and corrosion resistance. However, it is well-known that water can degrade organosilane films, particularly at elevated temperatures. In this work, X-ray and neutron reflectivity (XR and NR) were combined with attenuated total reflection infrared (ATR-IR) spectroscopy to study the chemical and structural changes within thin films of (3-glycidoxypropyl)trimethoxysilane (GPS) after exposure for various periods of time to air saturated with either D 2 O or H 2 O at 80 C. For NR and XR, ultrathin (∼100 (angstrom)) films were prepared by spin-coating. Both D 2 O and H 2 O provide neutron scattering contrast with GPS. Variations in the neutron scattering length density (SLD) profiles (a function of mass density and atomic composition) with conditioning time were measured after drying the samples out and also swelled with H 2 O or D 2 O vapor at room temperature. For samples that were dried out prior to measurement, little or no change was observed for H 2 O conditioning up to 3.5 days, but large changes were observed after 30 days of conditioning. The range of conditioning time for this structural change was narrowed to between 4 and 10 days with XR. The SLD profiles indicated that the top portion of the GPS film was transformed into a thick low-density layer after conditioning, but the bottom portion showed little structural change. A previous NR study of as-prepared GPS films involving swelling with deuterated nitrobenzene showed that the central portion of the film has much lower cross-link density than the region nearest the substrate. The present data show that the central portion also swells to a much greater extent with water and hydrolyzes more rapidly. The chemical degradation mechanism was identified by IR as hydrolysis of siloxane bonds. For ATR-IR, GPS films were prepared by dip-coating, which resulted in a greater and more variable thickness than

  2. Diffuse reflectance spectroscopy for optical soft tissue differentiation as remote feedback control for tissue-specific laser surgery.

    Science.gov (United States)

    Stelzle, Florian; Tangermann-Gerk, Katja; Adler, Werner; Zam, Azhar; Schmidt, Michael; Douplik, Alexandre; Nkenke, Emeka

    2010-04-01

    Laser surgery does not provide haptic feedback for operating layer-by-layer and thereby preserving vulnerable anatomical structures like nerve tissue or blood vessels. Diffuse reflectance spectra can facilitate remote optical tissue differentiation. It is the aim of the study to use this technique on soft tissue samples, to set a technological basis for a remote optical feedback system for tissue-specific laser surgery. Diffuse reflectance spectra (wavelength range: 350-650 nm) of ex vivo types of soft tissue (a total of 10,800 spectra) of the midfacial region of domestic pigs were remotely measured under reduced environmental light conditions and analyzed in order to differentiate between skin, mucosa, muscle, subcutaneous fat, and nerve tissue. We performed a principal components (PC) analysis (PCA) to reduce the number of variables. Linear discriminant analysis (LDA) was utilized for classification. For the tissue differentiation, we calculated the specificity and sensitivity by receiver operating characteristic (ROC) analysis and the area under curve (AUC). Six PCs were found to be adequate for tissue differentiation with diffuse reflectance spectra using LDA. All of the types of soft tissue could be differentiated with high specificity and sensitivity. Only the tissue pairs nervous tissue/fatty tissue and nervous tissue/mucosa showed a decline of differentiation due to bio-structural similarity. However, both of these tissue pairs could still be differentiated with a specificity and sensitivity of more than 90%. Analyzing diffuse reflectance spectroscopy with PCA and LDA allows for remote differentiation of biological tissue. Considering the limitations of the ex vivo conditions, the obtained results are promising and set a basis for the further development of a feedback system for tissue-specific laser surgery. (c) 2010 Wiley-Liss, Inc.

  3. Portable (handheld) clinical device for quantitative spectroscopy of skin, utilizing spatial frequency domain reflectance techniques

    Science.gov (United States)

    Saager, Rolf B.; Dang, An N.; Huang, Samantha S.; Kelly, Kristen M.; Durkin, Anthony J.

    2017-09-01

    Spatial Frequency Domain Spectroscopy (SFDS) is a technique for quantifying in-vivo tissue optical properties. SFDS employs structured light patterns that are projected onto tissues using a spatial light modulator, such as a digital micromirror device. In combination with appropriate models of light propagation, this technique can be used to quantify tissue optical properties (absorption, μa, and scattering, μs', coefficients) and chromophore concentrations. Here we present a handheld implementation of an SFDS device that employs line (one dimensional) imaging. This instrument can measure 1088 spatial locations that span a 3 cm line as opposed to our original benchtop SFDS system that only collects a single 1 mm diameter spot. This imager, however, retains the spectral resolution (˜1 nm) and range (450-1000 nm) of our original benchtop SFDS device. In the context of homogeneous turbid media, we demonstrate that this new system matches the spectral response of our original system to within 1% across a typical range of spatial frequencies (0-0.35 mm-1). With the new form factor, the device has tremendously improved mobility and portability, allowing for greater ease of use in a clinical setting. A smaller size also enables access to different tissue locations, which increases the flexibility of the device. The design of this portable system not only enables SFDS to be used in clinical settings but also enables visualization of properties of layered tissues such as skin.

  4. Photothermal microfluidic cantilever deflection spectroscopy reflecting clustering mechanism of ethanol water mixtures

    Science.gov (United States)

    Ghoraishi, Maryam; Hawk, John; Thundat, Thomas

    Aqueous mixture of alcohol is a typical prototype for biomolecules, micelle formation, and structural stability of proteins. Therefore, Short chain alcohols such as EtOH have been used as a simple model for understanding of more complex aqueous biomolecules. Here we study vibrational energy peaks of EtOH water binary mixtures using micromechanical calorimetric spectroscopy using bimaterial microfluidic cantilevers (BMC). The IR spectra of EtOH-water are experimentally collected employing a BMC as concentration of EtOH changes from 20-100 wt%. As concentration of EtOH varies in the mixture, considerable shifts in the wavenumber at IR absorption peak maxima are reported. The experimentally measured shifts in the wavenumber at IR absorption peak maxima are related to changes in dipole moment (μ) of EtOH at different concentration. The relationship between IR absorption wavenumber for both anti and gauche conformers of EtOH, and inverse dipole moment, 1/ μ, of EtOH at different concentrations follows a power law dependence. Our technique offers a platform to investigate dipole effect on molecular vibrations of mixtures in confined picoliter volumes, previously unexplored with other analytical techniques due to limitations of volume under study.

  5. Differentiation of Apple Varieties and Investigation of Organic Status Using Portable Visible Range Reflectance Spectroscopy

    Directory of Open Access Journals (Sweden)

    Jordan Vincent

    2018-05-01

    Full Text Available Food fraud, the sale of goods that have in some way been mislabelled or tampered with, is an increasing concern, with a number of high profile documented incidents in recent years. These recent incidents and their scope show that there are gaps in the food chain where food authentication methods are not applied or otherwise not sufficient and more accessible detection methods would be beneficial. This paper investigates the utility of affordable and portable visible range spectroscopy hardware with partial least squares discriminant analysis (PLS-DA when applied to the differentiation of apple types and organic status. This method has the advantage that it is accessible throughout the supply chain, including at the consumer level. Scans were acquired of 132 apples of three types, half of which are organic and the remaining non-organic. The scans were preprocessed with zero correction, normalisation and smoothing. Two tests were used to determine accuracy, the first using 10-fold cross-validation and the second using a test set collected in different ambient conditions. Overall, the system achieved an accuracy of 94% when predicting the type of apple and 66% when predicting the organic status. Additionally, the resulting models were analysed to find the regions of the spectrum that had the most significance. Then, the accuracy when using three-channel information (RGB is presented and shows the improvement provided by spectroscopic data.

  6. Differentiation of Apple Varieties and Investigation of Organic Status Using Portable Visible Range Reflectance Spectroscopy.

    Science.gov (United States)

    Vincent, Jordan; Wang, Hui; Nibouche, Omar; Maguire, Paul

    2018-05-25

    Food fraud, the sale of goods that have in some way been mislabelled or tampered with, is an increasing concern, with a number of high profile documented incidents in recent years. These recent incidents and their scope show that there are gaps in the food chain where food authentication methods are not applied or otherwise not sufficient and more accessible detection methods would be beneficial. This paper investigates the utility of affordable and portable visible range spectroscopy hardware with partial least squares discriminant analysis (PLS-DA) when applied to the differentiation of apple types and organic status. This method has the advantage that it is accessible throughout the supply chain, including at the consumer level. Scans were acquired of 132 apples of three types, half of which are organic and the remaining non-organic. The scans were preprocessed with zero correction, normalisation and smoothing. Two tests were used to determine accuracy, the first using 10-fold cross-validation and the second using a test set collected in different ambient conditions. Overall, the system achieved an accuracy of 94% when predicting the type of apple and 66% when predicting the organic status. Additionally, the resulting models were analysed to find the regions of the spectrum that had the most significance. Then, the accuracy when using three-channel information (RGB) is presented and shows the improvement provided by spectroscopic data.

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

    Science.gov (United States)

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

    2010-02-01

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

  8. Diffuse Reflectance Spectroscopy: Getting the Capillary Refill Test Under One's Thumb.

    Science.gov (United States)

    Henricson, Joakim; Toll John, Rani; Anderson, Chris D; Björk Wilhelms, Daniel

    2017-12-02

    The capillary refill test was introduced in 1947 to help estimate circulatory status in critically ill patients. Guidelines commonly state that refill should occur within 2 s after releasing 5 s of firm pressure (e.g., by the physician's finger) in the normal healthy supine patient. A slower refill time indicates poor skin perfusion, which can be caused by conditions including sepsis, blood loss, hypoperfusion, and hypothermia. Since its introduction, the clinical usefulness of the test has been debated. Advocates point out its feasibility and simplicity and claim that it can indicate changes in vascular status earlier than changes in vital signs such as heart rate. Critics, on the other hand, stress that the lack of standardization in how the test is performed and the highly subjective nature of the naked eye assessment, as well as the test's susceptibility to ambient factors, markedly lowers the clinical value. The aim of the present work is to describe in detail the course of the refill event and to suggest potentially more objective and exact endpoint values for the capillary refill test using diffuse polarization spectroscopy.

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

    Directory of Open Access Journals (Sweden)

    María-José De la Haba

    2014-02-01

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

  10. Infrared reflection absorption spectroscopy study of radiation-heterogeneous processes in the system of aluminum-hexane

    International Nuclear Information System (INIS)

    Gadzhieva, N.N.; Rimikhanova, A.N.; Garibov, A.A.

    2004-01-01

    Full text: Infrared reflection absorption spectroscopy (IRRAS) was applied to study the regularities of radiation conversion of hexane on the surface of aluminum. The research object was the thin polished aluminum plate by mark of AD-00 with reflection coefficient R=0.8†0.85 in infrared range λ=2.2†15 μ . As adsorbate unsaturated vapors of spectroscopy clear hexane were used. The absorption of hexane (C 2 H 14 ) was being studied manometric at pressures P=(0.1†1.0)·10 2 Pa , what corresponded to monolayer value of 1-10. The samples were irradiated with γ-quanta of 60 Co with D=1.03 Gy·s -1 doze rate. Infrared reflection spectrum when linear-polarized radiation fall on the sample under angle ψ=10 o was measured by spectrophotometer 'Specord 71 JR' in diapason of 4000-650cm -1 at the temperature by mean of special reflecting arrangements. Formation of molecular hydrogen (H 2 ) and other gaseous products of decomposition were controlled by chromotographical and infrared spectroscopical methods. The analysis of hexane infrared absorption spectra after radiation-stimulated adsorption on the surface of aluminum, points out the formation of H-bonded hydrocarbon complex ( ν∼2680cm -1 ) with much loosening of C-H bond (the molecular form of absorption) and the possibility of proceeding dissociative absorption with formation of metal-alkyls (ν∼2880, 2920, 2970 cm -1 ). Probability of the last mentioned process, which proceeds in the most defective centers, increases with increasing of γ-radiation doze. It was established that the radiation processes in hetero system Al-ads.C 6 H 14 accelerate the radiolysis of hexane. At all these the radiation decomposition of hexane in hetero system Al-ads.C 6 H 14 is accompanied by formation the surface hydrides (ν∼1700-2000 cm -1 ), acetylene (ν∼3200-3300 cm -1 ), ethylene (ν∼980 cm -1 ), and also gaseous products of molecular hydrogen decomposition (H 2 ) and hydrocarbons C 1 -C 5 (bands with maxima 770, 790

  11. Diffuse Reflectance Spectroscopy of Hidden Objects. Part II: Recovery of a Target Spectrum.

    Science.gov (United States)

    Pomerantsev, Alexey L; Rodionova, Oxana Ye; Skvortsov, Alexej N

    2017-08-01

    In this study, we consider the reconstruction of a diffuse reflectance near-infrared spectrum of an object (target spectrum) in case the object is covered by an interfering absorbing and scattering layer. Recovery is performed using a new empirical method, which was developed in our previous study. We focus on a system, which consists of several layers of polyethylene (PE) film and underlayer objects with different spectral features. The spectral contribution of the interfering layer is modeled by a three-component two-parameter multivariate curve resolution (MCR) model, which was built and calibrated using spectrally flat objects. We show that this model is applicable to real objects with non-uniform spectra. Ultimately, the target spectrum can be reconstructed from a single spectrum of the covered target. With calculation methods, we are able to recover quite accurately the spectrum of a target even when the object is covered by 0.7 mm of PE.

  12. Rapid determination of ions by combined solid-phase extraction--diffuse reflectance spectroscopy

    Science.gov (United States)

    Fritz, James S.; Arena, Matteo P.; Steiner, Steven A.; Porter, Marc D.

    2003-01-01

    We introduce colorimetric solid-phase extraction (C-SPE) for the rapid determination of selected ions. This new technique links the exhaustive concentration of an analyte by SPE onto a membrane disk surface for quantitative measurement with a hand-held diffuse reflectance spectrometer. The concentration/measurement procedure is complete in approximately 1 min and can be performed almost anywhere. This method has been used to monitor iodine and iodide in spacecraft water in the 0.1-5.0 ppm range and silver(I) in the range of 5.0-1000 microg/l. Applications to the trace analysis of copper(II), nickel(II), iron(III) and chromium(VI) are described. Studies on the mechanism of extraction showed that impregnation of the disk with a surfactant as well as a complexing reagent results in uptake of additional water, which markedly improves the extraction efficiency.

  13. 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.)

  14. Observation of neutron standing waves at total reflection by precision gamma spectroscopy

    International Nuclear Information System (INIS)

    Aksenov, V.L.; Gundorin, N.A.; Nikitenko, Yu.V.; Popov, Yu.P.; Cser, L.

    1998-01-01

    Total reflection of polarized neutrons from the layered structure glass/Fe (1000 A Angstrom)/Gd (50 A Angstrom) is investigated by registering neutrons and gamma-quanta from thermal neutron capture. The polarization ratio of gamma counts of neutron beams polarized in and opposite the direction of the magnetic field is measured. The polarization ratio is larger than unity for the neutron wavelengths λ 2.2 A Angstrom. Such behaviour of the wavelength dependence of the gamma-quanta polarization ratio points to the fact that over the surface of the Fe Layer a neutron standing wave caused by the interference of the incident neutron wave and the wave refracted from the magnetized Fe layer is formed

  15. Application of attenuated total reflectance Fourier transform infrared spectroscopy for determination of cefixime in oral pharmaceutical formulations.

    Science.gov (United States)

    Kandhro, Aftab A; Laghari, Abdul Hafeez; Mahesar, Sarfaraz A; Saleem, Rubina; Nelofar, Aisha; Khan, Salman Tariq; Sherazi, S T H

    2013-11-01

    A quick and reliable analytical method for the quantitative assessment of cefixime in orally administered pharmaceutical formulations is developed by using diamond cell attenuated total reflectance (ATR) Fourier transform infrared (FT-IR) spectroscopy as an easy procedure for quality control laboratories. The standards for calibration were prepared in aqueous medium ranging from 350 to 6000mg/kg. The calibration model was developed based on partial least square (PLS) using finger print region of FT-IR spectrum in the range from 1485 to 887cm(-1). Excellent coefficient of determination (R(2)) was achieved as high as 0.99976 with root mean square error of 44.8 for calibration. The application of diamond cell (smart accessory) ATR FT-IR proves a reliable determination of cefixime in pharmaceutical formulations to assess the quality of the final product. Copyright © 2013 Elsevier B.V. All rights reserved.

  16. Application of Polarization Modulated Infrared Reflection Absorption Spectroscopy for electrocatalytic activity studies of laccase adsorbed on modified gold electrodes

    International Nuclear Information System (INIS)

    Olejnik, Piotr; Pawłowska, Aleksandra; Pałys, Barbara

    2013-01-01

    Orientation of the enzyme macromolecule on the electrode surface is crucially important for the efficiency of the electron transport between the active site and electrode surface. The orientation can be controlled by affecting the surface charge and the pH of the buffer solution. In this contribution we study laccase physically adsorbed on gold surface modified by mercapto-ethanol, lipid and variously charged diazonium salts. Polarization Modulated Infrared Reflection Absorption Spectroscopy (PMIRRAS) enables the molecular orientation study of the protein molecule by comparison of the amide I to amide II band intensity ratios assuming that the protein secondary structure does not change. We observe significant differences in the intensity ratios depending on the kind of support and the enzyme deposition. The comparison of infrared spectra and cyclic voltammetry responses of variously prepared laccase layers reveals that the parallel orientation of beta-sheet moieties results in high enzyme activity

  17. Differentiation of Body Fluid Stains on Fabrics Using External Reflection Fourier Transform Infrared Spectroscopy (FT-IR) and Chemometrics.

    Science.gov (United States)

    Zapata, Félix; de la Ossa, Ma Ángeles Fernández; García-Ruiz, Carmen

    2016-04-01

    Body fluids are evidence of great forensic interest due to the DNA extracted from them, which allows genetic identification of people. This study focuses on the discrimination among semen, vaginal fluid, and urine stains (main fluids in sexual crimes) placed on different colored cotton fabrics by external reflection Fourier transform infrared spectroscopy (FT-IR) combined with chemometrics. Semen-vaginal fluid mixtures and potential false positive substances commonly found in daily life such as soaps, milk, juices, and lotions were also studied. Results demonstrated that the IR spectral signature obtained for each body fluid allowed its identification and the correct classification of unknown stains by means of principal component analysis (PCA) and soft independent modeling of class analogy (SIMCA). Interestingly, results proved that these IR spectra did not show any bands due to the color of the fabric and no substance of those present in daily life which were analyzed, provided a false positive. © The Author(s) 2016.

  18. The study of cyclododecane as a temporary coating for marble by NMR profilometry and FTIR reflectance spectroscopies

    Science.gov (United States)

    Anselmi, C.; Presciutti, F.; Doherty, B.; Brunetti, B. G.; Sgamellotti, A.; Miliani, C.

    2011-07-01

    This contribution focuses on an analytical evaluation of the use of cyclododecane (CDD) (C12H24) as a temporary protective coating for non-porous stone materials of cultural heritage interest. A facile solvent spray application technique for the production of an adherent continuous film has been assessed. The criterion for monitoring the sublimation of the cyclododecane film on marble has been established through the use of non-invasive analytical techniques so as to avoid any interaction with the process under study, where results serve to integrate and enhance knowledge into the use of cyclododecane in this discipline. Research is directed towards testing the applicability of portable infrared reflectance spectroscopy and nuclear magnetic resonance profilometry systems to follow the in-situ behavior of temporary consolidants. In particular, the coupling of two spectroscopic techniques such as IR and NMR has been possible, enabling the descriptions of both the formation of the film and its kinetics of sublimation.

  19. Quantifying electronic band interactions in van der Waals materials using angle-resolved reflected-electron spectroscopy.

    Science.gov (United States)

    Jobst, Johannes; van der Torren, Alexander J H; Krasovskii, Eugene E; Balgley, Jesse; Dean, Cory R; Tromp, Rudolf M; van der Molen, Sense Jan

    2016-11-29

    High electron mobility is one of graphene's key properties, exploited for applications and fundamental research alike. Highest mobility values are found in heterostructures of graphene and hexagonal boron nitride, which consequently are widely used. However, surprisingly little is known about the interaction between the electronic states of these layered systems. Rather pragmatically, it is assumed that these do not couple significantly. Here we study the unoccupied band structure of graphite, boron nitride and their heterostructures using angle-resolved reflected-electron spectroscopy. We demonstrate that graphene and boron nitride bands do not interact over a wide energy range, despite their very similar dispersions. The method we use can be generally applied to study interactions in van der Waals systems, that is, artificial stacks of layered materials. With this we can quantitatively understand the 'chemistry of layers' by which novel materials are created via electronic coupling between the layers they are composed of.

  20. Precise in situ etch depth control of multilayered III−V semiconductor samples with reflectance anisotropy spectroscopy (RAS equipment

    Directory of Open Access Journals (Sweden)

    Ann-Kathrin Kleinschmidt

    2016-11-01

    Full Text Available Reflectance anisotropy spectroscopy (RAS equipment is applied to monitor dry-etch processes (here specifically reactive ion etching (RIE of monocrystalline multilayered III–V semiconductors in situ. The related accuracy of etch depth control is better than 16 nm. Comparison with results of secondary ion mass spectrometry (SIMS reveals a deviation of only about 4 nm in optimal cases. To illustrate the applicability of the reported method in every day settings for the first time the highly etch depth sensitive lithographic process to form a film lens on the waveguide ridge of a broad area laser (BAL is presented. This example elucidates the benefits of the method in semiconductor device fabrication and also suggests how to fulfill design requirements for the sample in order to make RAS control possible.

  1. Blood hyperviscosity identification with reflective spectroscopy of tongue tip based on principal component analysis combining artificial neural network.

    Science.gov (United States)

    Liu, Ming; Zhao, Jing; Lu, XiaoZuo; Li, Gang; Wu, Taixia; Zhang, LiFu

    2018-05-10

    With spectral methods, noninvasive determination of blood hyperviscosity in vivo is very potential and meaningful in clinical diagnosis. In this study, 67 male subjects (41 health, and 26 hyperviscosity according to blood sample analysis results) participate. Reflectance spectra of subjects' tongue tips is measured, and a classification method bases on principal component analysis combined with artificial neural network model is built to identify hyperviscosity. Hold-out and Leave-one-out methods are used to avoid significant bias and lessen overfitting problem, which are widely accepted in the model validation. To measure the performance of the classification, sensitivity, specificity, accuracy and F-measure are calculated, respectively. The accuracies with 100 times Hold-out method and 67 times Leave-one-out method are 88.05% and 97.01%, respectively. Experimental results indicate that the built classification model has certain practical value and proves the feasibility of using spectroscopy to identify hyperviscosity by noninvasive determination.

  2. [Fast determination of contents of nutrients and stone powder in compound fertilizer using near infrared diffuse reflectance spectroscopy].

    Science.gov (United States)

    Guo, Zheng; Yuan, Hong-Fu; Zhang, Xian; Song, Chun-Feng; Li, Xiao-Yu; Xie, Jin-Chun

    2011-06-01

    In the present paper, a new approach to fast determination of contents of nutrients, including total nitrogen content (N), P2O5 content (P) and K2O content (K), and of stone powder content in compound fertilizer composed of urea, ammonium dihydrogen phosphate, potassium chloride and stone powder was proposed using near infrared diffuse reflectance spectroscopy. PLS models of N, P and stone powder content were built with the SEP values of 0.8, 0.8 and 1.4 respectively. The information on which stone powder content model was built is the spectrum of crystal water existing in stone powder. K content was calculated using other ingredientcontents by normalization principle with a SEP value of 1.5. Although the SEP values are a little larger than the reproducibility errors of the GB/T methods which are conventional methods, the new method can be accepted by situ quality control in the production process of compound fertilizer.

  3. Ultrafast pump-probe reflectance spectroscopy: Why sodium makes Cu(In,Ga)Se2 solar cells better

    KAUST Repository

    Eid, Jessica; Usman, Anwar; Gereige, Issam; Duren, Jeroen Van; Lyssenko, Vadim; Leo, Karl; Mohammed, Omar F.

    2015-01-01

    Although Cu(In,Ga)Se2 (CIGS) solar cells have the highest efficiency of any thin-film solar cell, especially when sodium is incorporated, the fundamental device properties of ultrafast carrier transport and recombination in such cells remain not fully understood. Here, we explore the dynamics of charge carriers in CIGS absorber layers with varying concentrations of Na by femtosecond (fs) broadband pump-probe reflectance spectroscopy with 120 fs time resolution. By analyzing the time-resolved transient spectra in a different time domain, we show that a small amount of Na integrated by NaF deposition on top of sputtered Cu(In,Ga) prior to selenization forms CIGS, which induces slower recombination of the excited carriers. Here, we provide direct evidence for the elongation of carrier lifetimes by incorporating Na into CIGS.

  4. Optical second-harmonic and reflectance-anisotropy spectroscopy of molecular adsorption at Si(001) step-edges

    Energy Technology Data Exchange (ETDEWEB)

    Ehlert, Robert; Kwon, Jinhee; Downer, Michael C. [University of Texas at Austin, Department of Physics, Austin, TX 78712-1081 (United States)

    2008-07-01

    Reflectance-anisotropy spectroscopy (RAS) and spectroscopic second harmonic generation (SHG) are used to probe a single-domain reconstructed stepped Si(001) surface offcut 6 toward[110] before and after dissociative adsorption of H{sub 2} at the D{sub B} step edges. Preliminary analysis with a simplified bond hyperpolarizability model supports the mutual consistency of RA and SHG spectra and suggests that hydrogen termination redistributes oscillator strength from the chemically active step dangling bond into the step back bonds. The data provide a benchmark for first-principles calculations of the optical response of stepped Si surfaces to step edge molecular adsorption. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  5. Ultrafast pump-probe reflectance spectroscopy: Why sodium makes Cu(In,Ga)Se2 solar cells better

    KAUST Repository

    Eid, Jessica

    2015-04-14

    Although Cu(In,Ga)Se2 (CIGS) solar cells have the highest efficiency of any thin-film solar cell, especially when sodium is incorporated, the fundamental device properties of ultrafast carrier transport and recombination in such cells remain not fully understood. Here, we explore the dynamics of charge carriers in CIGS absorber layers with varying concentrations of Na by femtosecond (fs) broadband pump-probe reflectance spectroscopy with 120 fs time resolution. By analyzing the time-resolved transient spectra in a different time domain, we show that a small amount of Na integrated by NaF deposition on top of sputtered Cu(In,Ga) prior to selenization forms CIGS, which induces slower recombination of the excited carriers. Here, we provide direct evidence for the elongation of carrier lifetimes by incorporating Na into CIGS.

  6. Reflection-time-of-flight spectrometer for two-electron (e,2e) coincidence spectroscopy on surfaces

    International Nuclear Information System (INIS)

    Kirschner, J.; Kerherve, G.; Winkler, C.

    2008-01-01

    In this article, a novel time-of-flight spectrometer for two-electron-emission (e,2e/γ,2e) correlation spectroscopy from surfaces at low electron energies is presented. The spectrometer consists of electron optics that collect emitted electrons over a solid angle of approximately 1 sr and focus them onto a multichannel plate using a reflection technique. The flight time of an electron with kinetic energy of E kin ≅25 eV is around 100 ns. The corresponding time- and energy resolution are typically ≅1 ns and ≅0.65 eV, respectively. The first (e,2e) data obtained with the present setup from a LiF film are presented

  7. Determination of protein concentration in raw milk by mid-infrared fourier transform infrared/attenuated total reflectance spectroscopy.

    Science.gov (United States)

    Etzion, Y; Linker, R; Cogan, U; Shmulevich, I

    2004-09-01

    This study investigates the potential use of attenuated total reflectance spectroscopy in the mid-infrared range for determining protein concentration in raw cow milk. The determination of protein concentration is based on the characteristic absorbance of milk proteins, which includes 2 absorbance bands in the 1500 to 1700 cm(-1) range, known as the amide I and amide II bands, and absorbance in the 1060 to 1100 cm(-1) range, which is associated with phosphate groups covalently bound to casein proteins. To minimize the influence of the strong water band (centered around 1640 cm(-1)) that overlaps with the amide I and amide II bands, an optimized automatic procedure for accurate water subtraction was applied. Following water subtraction, the spectra were analyzed by 3 methods, namely simple band integration, partial least squares (PLS) and neural networks. For the neural network models, the spectra were first decomposed by principal component analysis (PCA), and the neural network inputs were the spectra principal components scores. In addition, the concentrations of 2 constituents expected to interact with the protein (i.e., fat and lactose) were also used as inputs. These approaches were tested with 235 spectra of standardized raw milk samples, corresponding to 26 protein concentrations in the 2.47 to 3.90% (weight per volume) range. The simple integration method led to very poor results, whereas PLS resulted in prediction errors of about 0.22% protein. The neural network approach led to prediction errors of 0.20% protein when based on PCA scores only, and 0.08% protein when lactose and fat concentrations were also included in the model. These results indicate the potential usefulness of Fourier transform infrared/attenuated total reflectance spectroscopy for rapid, possibly online, determination of protein concentration in raw milk.

  8. Low temperature hydrogen plasma-assisted atomic layer deposition of copper studied using in situ infrared reflection absorption spectroscopy

    International Nuclear Information System (INIS)

    Chaukulkar, Rohan P.; Rai, Vikrant R.; Agarwal, Sumit; Thissen, Nick F. W.

    2014-01-01

    Atomic layer deposition (ALD) is an ideal technique to deposit ultrathin, conformal, and continuous metal thin films. However, compared to the ALD of binary materials such as metal oxides and metal nitrides, the surface reaction mechanisms during metal ALD are not well understood. In this study, the authors have designed and implemented an in situ reflection-absorption infrared spectroscopy (IRAS) setup to study the surface reactions during the ALD of Cu on Al 2 O 3 using Cu hexafluoroacetylacetonate [Cu(hfac) 2 ] and a remote H 2 plasma. Our infrared data show that complete ligand-exchange reactions occur at a substrate temperature of 80 °C in the absence of surface hydroxyl groups. Based on infrared data and previous studies, the authors propose that Cu(hfac) 2 dissociatively chemisorbs on the Al 2 O 3 surface, where the Al-O-Al bridge acts as the surface reactive site, leading to surface O-Cu-hfac and O-Al-hfac species. Surface saturation during the Cu(hfac) 2 half-cycle occurs through blocking of the available chemisorption sites. In the next half-reaction cycle, H radicals from an H 2 plasma completely remove these surface hfac ligands. Through this study, the authors have demonstrated the capability of in situ IRAS as a tool to study surface reactions during ALD of metals. While transmission and internal reflection infrared spectroscopy are limited to the first few ALD cycles, IRAS can be used to probe all stages of metal ALD starting from initial nucleation to the formation of a continuous film

  9. Process analytical technology (PAT) in insect and mammalian cell culture processes: dielectric spectroscopy and focused beam reflectance measurement (FBRM).

    Science.gov (United States)

    Druzinec, Damir; Weiss, Katja; Elseberg, Christiane; Salzig, Denise; Kraume, Matthias; Pörtner, Ralf; Czermak, Peter

    2014-01-01

    Modern bioprocesses demand for a careful definition of the critical process parameters (CPPs) already during the early stages of process development in order to ensure high-quality products and satisfactory yields. In this context, online monitoring tools can be applied to recognize unfavorable changes of CPPs during the production processes and to allow for early interventions in order to prevent losses of production batches due to quality issues. Process analytical technologies such as the dielectric spectroscopy or focused beam reflectance measurement (FBRM) are possible online monitoring tools, which can be applied to monitor cell growth as well as morphological changes. Since the dielectric spectroscopy only captures cells with intact cell membranes, even information about dead cells with ruptured or leaking cell membranes can be derived. The following chapter describes the application of dielectric spectroscopy on various virus-infected and non-infected cell lines with respect to adherent as well as suspension cultures in common stirred tank reactors. The adherent mammalian cell lines Vero (African green monkey kidney cells) and hMSC-TERT (telomerase-immortalized human mesenchymal stem cells) are thereby cultured on microcarrier, which provide the required growth surface and allow the cultivation of these cells even in dynamic culture systems. In turn, the insect-derived cell lines S2 and Sf21 are used as examples for cells typically cultured in suspension. Moreover, the FBRM technology as a further monitoring tool for cell culture applications has been included in this chapter using the example of Drosophila S2 insect cells.

  10. Description and performance of the OGSE for VNIR absolute spectroradiometric calibration of MTG-I satellites

    Science.gov (United States)

    Glastre, W.; Marque, J.; Compain, E.; Deep, A.; Durand, Y.; Aminou, D. M. A.

    2017-09-01

    The Meteosat Third Generation (MTG) Programme is being realised through the well-established and successful Cooperation between EUMETSAT and ESA. It will ensure the future continuity of MSG with the capabilities to enhance nowcasting, global and regional numerical weather prediction, climate and atmospheric chemistry monitoring data from Geostationary Orbit. This will be achieved through a series of 6 satellites named MTG-I and MTG-S to bring to the meteorological community continuous high spatial, spectral and temporal resolution observations and geophysical parameters of the Earth based on sensors from the geo-stationary orbit. In particular, the imagery mission MTG-I will bring an improved continuation of the MSG satellites series with the Flexible Combined Imager (FCI) a broad spectral range (from UV to LWIR) with better spatial and spectral resolutions. The FCI will be able to take high spatial resolution pictures of the Earth within 8 VNIR and 8 IR channels. As one of the mission of this instrument is to provide a quantitative analysis of atmosphere compounds, the absolute observed radiance needs to be known with a specified accuracy for VNIR as low as to 5% at k=3 over its full dynamic. While the FCI is regularly recalibrated every 6 month at equinoxes, it is however requiring initial ground calibration for the beginning of its mission. The Multi Optical Test Assembly (MOTA) is one of the Optical Ground Support Equipment (OGSE) dedicated to various missions necessary for the integration of the FCI . This equipment, provided by Bertin Technologies, will be delivered to TAS-F by the end of 2016. One of its mission, is the on-ground absolute calibration of VNIR channels. In order to handle this, the MOTA will be placed in front of the FCI under representative vacuum conditions and will be able to project a perfectly known, calibrated radiance level within the full dynamic of FCI instrument. The main difficulty is the very demanding calibration level with

  11. Detection of precancerous lesions in the oral cavity using oblique polarized reflectance spectroscopy: a clinical feasibility study

    Science.gov (United States)

    Bailey, Maria J.; Verma, Nishant; Fradkin, Leonid; Lam, Sylvia; MacAulay, Calum; Poh, Catherine; Markey, Mia K.; Sokolov, Konstantin

    2017-06-01

    We developed a multifiber optical probe for oblique polarized reflectance spectroscopy (OPRS) in vivo and evaluated its performance in detection of dysplasia in the oral cavity. The probe design allows the implementation of a number of methods to enable depth resolved spectroscopic measurements including polarization gating, source-detector separation, and differential spectroscopy; this combination was evaluated in carrying out binary classification tasks between four major diagnostic categories: normal, benign, mild dysplasia (MD), and severe dysplasia (SD). Multifiber OPRS showed excellent performance in the discrimination of normal from benign, MD, SD, and MD plus SD yielding sensitivity/specificity values of 100%/93%, 96%/95%, 100%/98%, and 100%/100%, respectively. The classification of benign versus dysplastic lesions was more challenging with sensitivity and specificity values of 80%/93%, 71%/93%, and 74%/80% in discriminating benign from SD, MD, and SD plus MD categories, respectively; this challenge is most likely associated with a strong and highly variable scattering from a keratin layer that was found in these sites. Classification based on multiple fibers was significantly better than that based on any single detection pair for tasks dealing with benign versus dysplastic sites. This result indicates that the multifiber probe can perform better in the detection of dysplasia in keratinized tissues.

  12. Attenuated Total Reflection Mid-Infrared (ATR-MIR) Spectroscopy and Chemometrics for the Identification and Classification of Commercial Tannins.

    Science.gov (United States)

    Ricci, Arianna; Parpinello, Giuseppina P; Olejar, Kenneth J; Kilmartin, Paul A; Versari, Andrea

    2015-11-01

    Attenuated total reflection Fourier transform infrared (FT-IR) spectroscopy was used to characterize 40 commercial tannins, including condensed and hydrolyzable chemical classes, provided as powder extracts from suppliers. Spectral data were processed to detect typical molecular vibrations of tannins bearing different chemical groups and of varying botanical origin (univariate qualitative analysis). The mid-infrared region between 4000 and 520 cm(-1) was analyzed, with a particular emphasis on the vibrational modes in the fingerprint region (1800-520 cm(-1)), which provide detailed information about skeletal structures and specific substituents. The region 1800-1500 cm(-1) contained signals due to hydrolyzable structures, while bands due to condensed tannins appeared at 1300-900 cm(-1) and exhibited specific hydroxylation patterns useful to elucidate the structure of the flavonoid monomeric units. The spectra were investigated further using principal component analysis for discriminative purposes, to enhance the ability of infrared spectroscopy in the classification and quality control of commercial dried extracts and to enhance their industrial exploitation.

  13. Noninvasive observation of skeletal muscle contraction using near-infrared time-resolved reflectance and diffusing-wave spectroscopy

    Science.gov (United States)

    Belau, Markus; Ninck, Markus; Hering, Gernot; Spinelli, Lorenzo; Contini, Davide; Torricelli, Alessandro; Gisler, Thomas

    2010-09-01

    We introduce a method for noninvasively measuring muscle contraction in vivo, based on near-infrared diffusing-wave spectroscopy (DWS). The method exploits the information about time-dependent shear motions within the contracting muscle that are contained in the temporal autocorrelation function g(1)(τ,t) of the multiply scattered light field measured as a function of lag time, τ, and time after stimulus, t. The analysis of g(1)(τ,t) measured on the human M. biceps brachii during repetitive electrical stimulation, using optical properties measured with time-resolved reflectance spectroscopy, shows that the tissue dynamics giving rise to the speckle fluctuations can be described by a combination of diffusion and shearing. The evolution of the tissue Cauchy strain e(t) shows a strong correlation with the force, indicating that a significant part of the shear observed with DWS is due to muscle contraction. The evolution of the DWS decay time shows quantitative differences between the M. biceps brachii and the M. gastrocnemius, suggesting that DWS allows to discriminate contraction of fast- and slow-twitch muscle fibers.

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

    Science.gov (United States)

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

    2018-01-01

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

  15. Application of multibounce attenuated total reflectance fourier transform infrared spectroscopy and chemometrics for determination of aspartame in soft drinks.

    Science.gov (United States)

    Khurana, Harpreet Kaur; Cho, Il Kyu; Shim, Jae Yong; Li, Qing X; Jun, Soojin

    2008-02-13

    Aspartame is a low-calorie sweetener commonly used in soft drinks; however, the maximum usage dose is limited by the U.S. Food and Drug Administration. Fourier transform infrared (FTIR) spectroscopy with attenuated total reflectance sampling accessory and partial least-squares regression (PLS) was used for rapid determination of aspartame in soft drinks. On the basis of spectral characterization, the highest R2 value, and lowest PRESS value, the spectral region between 1600 and 1900 cm(-1) was selected for quantitative estimation of aspartame. The potential of FTIR spectroscopy for aspartame quantification was examined and validated by the conventional HPLC method. Using the FTIR method, aspartame contents in four selected carbonated diet soft drinks were found to average from 0.43 to 0.50 mg/mL with prediction errors ranging from 2.4 to 5.7% when compared with HPLC measurements. The developed method also showed a high degree of accuracy because real samples were used for calibration, thus minimizing potential interference errors. The FTIR method developed can be suitably used for routine quality control analysis of aspartame in the beverage-manufacturing sector.

  16. Ultraviolet reflectance spectroscopy measurements of carbonaceous meteorites and planetary analog materials

    Science.gov (United States)

    Hibbitts, Charles A.; Stockstill-Cahill, Karen; Takir, Driss

    2017-10-01

    The compositions of airless solar system objects tell us about the origin and evolutionary processes that are responsible for the current state of our solar system and that shape our environment. Spectral reflectance measurements in the ultraviolet are being used more frequently for providing compositional information of airless solid surfaces. Most minerals absorb in the UV making studying surface composition both informative but also challenging [e.g. 1]. The UV region is sensitive to atomic and molecular electronic absorptions such as the ligand-metal charge transfer band that is present in oxides and silicates and the conduction band at vacuum UV wavelengths. At the JHU-APL, bidirectional UV reflectance measurements are obtained under vacuum using a McPherson monochrometer with a PMT detector to achieve measurements over the range from ~ 140 nm to ~ 570 nm. Sample temperature can also be controlled from ~ 100K to ~ 600K, which enables the exploring the interaction of water ice and other volatiles with refractory samples. We have measured the UV spectra of many carbonaceous chondrites, including Mokoia, Vigarano, Warrenton, Orgueil, SaU290, and Essebi. In addition to being dark, some also possess on OMCT band. We have also obtained IR measurement of these meteorites to explore possible correlations between their UV and IR spectral signatures. In addition, we have also measured the UV spectra of low water content lunar analog glasses and have found a correlation between the spectral nature of the OMCT band and the abundance of iron [3]. Also, the spectral signature of mineralic and adsorbed water in the UV has been investigated. While water-ice has a known strong absorption feature near 180 nm (e.g. 4], adsorbed molecular and disassociatively adsorbed OH appear to not be optically active in this spectral region [5]. References: [1] Wagner et al. (1987) Icarus, 69, 14-28.1987; [2] Cloutis et al. (2008) Icarus, 197, 321-347; [3] Greenspon et al. (2012), 43rd LPSC

  17. 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)

  18. Spectroelectrochemical study of polyphenylene by in situ external reflection FT-IR spectroscopy. Pt. 1

    International Nuclear Information System (INIS)

    Kvarnstroem, C.; Ivaska, A.

    1994-01-01

    In situ spectroelectrochemical measurements with external reflection FT-IR are performed at different stages of polymerization of 0.05, 0.1 and 0.8 M biphenyl in 0.1 M TBABF 4 in acetonitrile. The biphenyl concentration is not found to have any effect on the structure of the polymer formed. Formation of oligomers and the ratio of ortho/para-substituted polymer chains during film growth are studied. The first coupling of dimers to oligomers is found to take place in the vicinity of the electrode surface and at a later stage of polymerization the oligomers start to form polymer film on the electrode. A mixed para and ortho coupling resulting in crosslinking between chains is observed already at the early stage of polymerization. However, when a lower current density is used a more ordered polymer structure is obtained. A breakdown of the polymer film due to overoxidation can be seen when the potential is increased to 2.0 V. (orig.)

  19. Microcirculation assessment using an individualized model for diffuse reflectance spectroscopy and conventional laser Doppler flowmetry

    Science.gov (United States)

    Strömberg, Tomas; Karlsson, Hanna; Fredriksson, Ingemar; Nyström, Fredrik H.; Larsson, Marcus

    2014-05-01

    Microvascular assessment would benefit from co-registration of blood flow and hemoglobin oxygenation dynamics during stimulus response tests. We used a fiber-optic probe for simultaneous recording of white light diffuse reflectance (DRS; 475-850 nm) and laser Doppler flowmetry (LDF; 780 nm) spectra at two source-detector distances (0.4 and 1.2 mm). An inverse Monte Carlo algorithm, based on a multiparameter three-layer adaptive skin model, was used for analyzing DRS data. LDF spectra were conventionally processed for perfusion. The system was evaluated on volar forearm recordings of 33 healthy subjects during a 5-min systolic occlusion protocol. The calibration scheme and the optimal adaptive skin model fitted DRS spectra at both distances within 10%. During occlusion, perfusion decreased within 5 s while oxygenation decreased slowly (mean time constant 61 s dissociation of oxygen from hemoglobin). After occlusion release, perfusion and oxygenation increased within 3 s (inflow of oxygenized blood). The increased perfusion was due to increased blood tissue fraction and speed. The supranormal hemoglobin oxygenation indicates a blood flow in excess of metabolic demands. In conclusion, by integrating DRS and LDF in a fiber-optic probe, a powerful tool for assessment of blood flow and oxygenation in the same microvascular bed has been presented.

  20. Application of reflectance spectroscopies (FTIR-ATR & FT-NIR) coupled with multivariate methods for robust in vivo detection of begomovirus infection in papaya leaves

    Science.gov (United States)

    Haq, Quazi M. I.; Mabood, Fazal; Naureen, Zakira; Al-Harrasi, Ahmed; Gilani, Sayed A.; Hussain, Javid; Jabeen, Farah; Khan, Ajmal; Al-Sabari, Ruqaya S. M.; Al-khanbashi, Fatema H. S.; Al-Fahdi, Amira A. M.; Al-Zaabi, Ahoud K. A.; Al-Shuraiqi, Fatma A. M.; Al-Bahaisi, Iman M.

    2018-06-01

    Nucleic acid & serology based methods have revolutionized plant disease detection, however, they are not very reliable at asymptomatic stage, especially in case of pathogen with systemic infection, in addition, they need at least 1-2 days for sample harvesting, processing, and analysis. In this study, two reflectance spectroscopies i.e. Near Infrared reflectance spectroscopy (NIR) and Fourier-Transform-Infrared spectroscopy with Attenuated Total Reflection (FT-IR, ATR) coupled with multivariate exploratory methods like Principle Component Analysis (PCA) and Partial least square discriminant analysis (PLS-DA) have been deployed to detect begomovirus infection in papaya leaves. The application of those techniques demonstrates that they are very useful for robust in vivo detection of plant begomovirus infection. These methods are simple, sensitive, reproducible, precise, and do not require any lengthy samples preparation procedures.

  1. Application of reflectance spectroscopies (FTIR-ATR & FT-NIR) coupled with multivariate methods for robust in vivo detection of begomovirus infection in papaya leaves.

    Science.gov (United States)

    Haq, Quazi M I; Mabood, Fazal; Naureen, Zakira; Al-Harrasi, Ahmed; Gilani, Sayed A; Hussain, Javid; Jabeen, Farah; Khan, Ajmal; Al-Sabari, Ruqaya S M; Al-Khanbashi, Fatema H S; Al-Fahdi, Amira A M; Al-Zaabi, Ahoud K A; Al-Shuraiqi, Fatma A M; Al-Bahaisi, Iman M

    2018-06-05

    Nucleic acid & serology based methods have revolutionized plant disease detection, however, they are not very reliable at asymptomatic stage, especially in case of pathogen with systemic infection, in addition, they need at least 1-2days for sample harvesting, processing, and analysis. In this study, two reflectance spectroscopies i.e. Near Infrared reflectance spectroscopy (NIR) and Fourier-Transform-Infrared spectroscopy with Attenuated Total Reflection (FT-IR, ATR) coupled with multivariate exploratory methods like Principle Component Analysis (PCA) and Partial least square discriminant analysis (PLS-DA) have been deployed to detect begomovirus infection in papaya leaves. The application of those techniques demonstrates that they are very useful for robust in vivo detection of plant begomovirus infection. These methods are simple, sensitive, reproducible, precise, and do not require any lengthy samples preparation procedures. Copyright © 2018 Elsevier B.V. All rights reserved.

  2. Retrieving the optical parameters of biological tissues using diffuse reflectance spectroscopy and Fourier series expansions. I. theory and application.

    Science.gov (United States)

    Muñoz Morales, Aarón A; Vázquez Y Montiel, Sergio

    2012-10-01

    The determination of optical parameters of biological tissues is essential for the application of optical techniques in the diagnosis and treatment of diseases. Diffuse Reflection Spectroscopy is a widely used technique to analyze the optical characteristics of biological tissues. In this paper we show that by using diffuse reflectance spectra and a new mathematical model we can retrieve the optical parameters by applying an adjustment of the data with nonlinear least squares. In our model we represent the spectra using a Fourier series expansion finding mathematical relations between the polynomial coefficients and the optical parameters. In this first paper we use spectra generated by the Monte Carlo Multilayered Technique to simulate the propagation of photons in turbid media. Using these spectra we determine the behavior of Fourier series coefficients when varying the optical parameters of the medium under study. With this procedure we find mathematical relations between Fourier series coefficients and optical parameters. Finally, the results show that our method can retrieve the optical parameters of biological tissues with accuracy that is adequate for medical applications.

  3. Synergistic efficacy of salicylic acid with a penetration enhancer on human skin monitored by OCT and diffuse reflectance spectroscopy

    Science.gov (United States)

    Zhao, Qingliang; Dai, Cuixia; Fan, Shanhui; Lv, Jing; Nie, Liming

    2016-10-01

    Salicylic acid (SA) has been frequently used as a facial chemical peeling agent (FCPA) in various cosmetics for facial rejuvenation and dermatological treatments in the clinic. However, there is a tradeoff between therapeutic effectiveness and possible adverse effects caused by this agent for cosmetologists. To optimize the cosmetic efficacy with minimal concentration, we proposed a chemical permeation enhancer (CPE) azone to synergistically work with SA on human skin in vivo. The optical properties of human skin after being treated with SA alone and SA combined with azone (SA@azone) were successively investigated by diffuse reflectance spectroscopy (DRS) and optical coherence tomography (OCT). Our results revealed that as the SA concentration increased, the light reflectance decreased and the absorption increased. We also found that SA@azone exhibited a synergistic effect on enhancing light penetration and OCT imaging depth. We demonstrated that the combination of DRS and OCT techniques could be used as a noninvasive, rapid and accurate measurement method to monitor the subtle changes of skin tissue after treatment with FCPA and CPE. The approach will greatly benefit the development of clinical cosmetic surgery, dermatosis diagnosis and therapeutic effect inspection in related biomedical studies.

  4. Micro transflection on a metallic stick: an innovative approach of reflection infrared spectroscopy for minimally invasive investigation of painting varnishes.

    Science.gov (United States)

    Rosi, Francesca; Legan, Lea; Miliani, Costanza; Ropret, Polonca

    2017-05-01

    A new analytical approach, based on micro-transflection measurements from a diamond-coated metal sampling stick, is presented for the analysis of painting varnishes. Minimally invasive sampling is performed from the varnished surface using the stick, which is directly used as a transflection substrate for micro Fourier transform infrared (FTIR) measurements. With use of a series of varnished model paints, the micro-transflection method has been proved to be a valuable tool for the identification of surface components thanks to the selectivity of the sampling, the enhancement of the absorbance signal, and the easier spectral interpretation because the profiles are similar to transmission mode ones. Driven by these positive outcomes, the method was then tested as tool supporting noninvasive reflection FTIR spectroscopy during the assessment of varnish removal by solvent cleaning on paint models. Finally, the integrated analytical approach based on the two reflection methods was successfully applied for the monitoring of the cleaning of the sixteenth century painting Presentation in the Temple by Vittore Carpaccio. Graphical Abstract Micro-transflection FTIR on a metallic stick for the identification of varnishes during painting cleanings.

  5. The electrochemical oxidation of sulfite on gold: UV-Vis reflectance spectroscopy at a rotating disk electrode

    International Nuclear Information System (INIS)

    Tolmachev, Yuriy V.; Scherson, Daniel A.

    2004-01-01

    Certain aspects of the electrochemical oxidation of sulfite in buffered, mildly acidic aqueous solutions (pH 5.23) have been examined using in situ near normal incidence UV-Vis reflectance spectroscopy (NNI-UVRS) at a Au rotating disk electrode (RDE). The dependence of the limiting current, i lim , on the rotation rate of the RDE was found to display classical Levich behavior up to potentials well within the range in which Au forms a surface oxide in the neat (sulfite-free) supporting electrolyte. However, simultaneous in situ NNI-UVRS measurements performed at λ=500 nm during sulfite oxidation failed to show any evidence for the presence of oxide on the Au surface within that entire potential range. Polarization of the Au RDE at more positive potentials led to a sudden drop in i lim , ca. an order of magnitude, which correlated with an abrupt decrease in the intensity of the reflected light, consistent with formation of (one or more forms of) Au oxide on the surface. On the basis of these and other observations a model has been proposed in which sulfite reacts chemically with adsorbed oxygen on the surface (oxygen atom transfer) in the region that precedes partial inhibition. As the potential is increased, adsorbed oxygen undergoes Au-O place exchange forming two-dimensional nuclei on the surface, which undergo rapid (autocatalytic) growth, covering an area large enough to block significantly sulfite oxidation

  6. spectroscopy

    African Journals Online (AJOL)

    Aghomotsegin

    2015-10-14

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

  7. IR reflectance spectroscopy of carbon dioxide clathrate hydrates. Implications for Saturn's icy moons.

    Science.gov (United States)

    Oancea, A.; Grasset, O.; Le Menn, E.; Bezacier, L.; Bollengier, O.; Le Mouélic, S.; Tobie, G.

    2012-04-01

    A CO2 spectral band was discovered by VIMS on the Saturn's satellites Dione, Hyperion, Iapetus and Phoebe [1]. The band position on the three first satellites corresponds to CO2 trapped in a complex material, but no indication exists whether this latter is water ice or some mineral or complex organic compound [1]. On Phoebe, the CO2 spectral band is consistent with solid CO2 or CO2 molecules trapped in the small cages of a clathrate hydrate structure [2]. It is thought that clathrate hydrates could play a significant role in the chemistry of the solar nebula [3] and in the physical evolution of astrophysical objects [4]. But so far, no clathrate hydrate structure has been observed in astrophysical environments. Moreover, identification of molecules trapped in a clathrate hydrate structure is extremely difficult because of the strong IR vibration modes of the water ice matrix. In this work, experimental IR reflectance spectra for CO2 clathrate hydrates are studied on grains and films. Clathrates are synthesized in a high pressure autoclave at low temperatures. IR spectral analysis is made with a low pressure and low temperature cryostat. These experimental conditions - 80 spectrum will be presented. A comparison between the absorption bands of CO2 clathrate hydrates obtained in our lab and CO2 absorption bands as detected by VIMS on the icy satellites of Saturn will be shown. This experimental work confirms that VIMS data are not consistent with the presence of structure I CO2 clathrate hydrates on the surface of the icy moons. Possibility of having metastable structure II still remains unsolved and will be discussed. [1] Dalton et al., Space Sci. Rev. 2010, 153 : 113-154. [2] Cruikshank D.P. et al, Icarus, 2010, 206: 561-572. [3] Mousis O. et al , Ap. J. 2009, 691: 1780-1786. [4] Choukroun M. et al, in Solar System Ices, edited by Castillo-Rogez, J. et al., 2011.

  8. Reflectance spectroscopy of indoor settled dust in Tel Aviv, Israel: comparison between the spring and the summer seasons

    Directory of Open Access Journals (Sweden)

    A. A. Chudnovsky

    2007-07-01

    Full Text Available The influence of mineral and anthropogenic dust components on the VIS-NIR-SWIR spectral reflectance of artificial laboratory dust mixtures was evaluated and used in combination with Partial Least Squares (PLS regression to construct a model that correlates the dust content with its reflectance. Small amounts of dust (0.018–0.33 mg/cm2 were collected using glass traps placed in different indoor environments in Tel Aviv, Israel during the spring and summer of 2005. The constructed model was applied to reflectance spectroscopy measurements derived from the field dust samples to assess their mineral content. Additionally, field samples were examined using Principal Component Analysis (PCA to identify the most representative spectral pattern for each season. Across the visible range of spectra two main spectral shapes were observed, convex and concave, though spectra exhibiting hybrid shapes were also seen. Spectra derived from spring season dust samples were characterized mostly by a convex shape, which indicates a high mineral content. In contrast, the spectra generated from summer samples were characterized generally by a concave shape, which indicates a high organic matter content. In addition to this seasonal variation in spectral patterns, spectral differences were observed associated with the dwelling position in the city. Samples collected in the city center showed higher organic content, whereas samples taken from locations at the city margins, near the sea and next to open areas, exhibited higher mineral content. We conclude that mineral components originating in the outdoor environment influence indoor dust loads, even when considering relatively small amounts of indoor settled dust. The sensitive spectral-based method developed here has potentially many applications for environmental researchers and policy makers concerned with dust pollution.

  9. Bidirectional reflectance and VIS-NIR spectroscopy of cometary analogues under simulated space conditions

    Science.gov (United States)

    Jost, Bernhard; Pommerol, Antoine; Poch, Olivier; Yoldi, Zuriñe; Fornasier, Sonia; Hasselmann, Pedro Henrique; Feller, Clément; Carrasco, Nathalie; Szopa, Cyril; Thomas, Nicolas

    2017-10-01

    This work is intended to be the second publication in a series of papers reporting on the spectro-photometric properties of cometary analogues measured in the laboratory. Herein, we provide in-situ hyperspectral imaging data in the 0.40-2.35 μm range from three sublimation experiments under simulated space conditions in thermal vacuum from samples made of water ice, carbonaceous compounds and complex organic molecules. The dataset is complemented by measurements of the bidirectional reflectance in the visible (750 nm) spectral range before and after sublimation. A qualitative characterization of surface evolution processes is provided as well as a description of morphological changes during the simulation experiment. The aim of these experiments is to mimic the spectrum of comet 67P/Churyumov-Gerasimenko (67P) as acquired by the Rosetta mission by applying sublimation experiments on the mixtures of water ice with a complex organic material (tholins) and carbonaceous compounds (carbon black; activated charcoal) studied in our companion publication (Jost et al., submitted). Sublimation experiments are needed to develop the particular texture (high porosity), expected on the nucleus' surface, which might have a strong influence on spectro-photometric properties. The spectrally best matching mixtures of non volatile organic molecules from Jost et al. (submitted) are mixed with fine grained water ice particles and evolved in a thermal vacuum chamber, in order to monitor the influence of the sublimation process on their spectro-photometric properties. We demonstrate that the way the water ice and the non-volatile constituents are mixed, plays a major role in the formation and evolution of a surface residue mantle as well as having influence on the consolidation processes of the underlying ice. Additionally it results in different activity patterns under simulated insolation cycles. Further we show that the phase curves of samples having a porous surface mantle layer

  10. Study of the oxidation of uranium by external and diffuse reflectance FTIR spectroscopy using remote-sensing and evacuable cell techniques

    Science.gov (United States)

    Powell, G. L.; Dobbins, A.; Cristy, S. S.; Cliff, T. L.; Meyer, H. M., III; Lucania, J.; Milosevic, Milan

    1994-01-01

    This report describes the application of reflectance FTIR spectroscopy to the measurement of the oxidation rate of uranium by environmental gases near room temperature. It also describes very efficient evacuable cells designed for 75 degree(s) external reflectance with polarized light and for diffuse reflectance using mid-infrared FTIR spectroscopy. These cells, along with functionally similar remote sensing accessories, have been applied to the study of the oxidation of uranium metal in air, oxygen, and water vapor by precisely measuring the 575 cm-1 band of UO2 and other properties of the corrosion film such as absorbed water and reflective losses caused by film degradation related to pitting or nucleation phenomena.

  11. Tunable All Reflective Spatial Heterodyne Spectroscopy, A Technique For High Resolving Power Observation OI Defused Emission Line Sources

    Science.gov (United States)

    Hosseini, Seyedeh Sona

    The solar system presents a challenge to spectroscopic observers, because it is an astrophysically low energy environment populated with often angularly extended targets (e.g, interplanetary medium, comets, planetary upper atmospheres, and planet and satellite near space environments). Spectroscopy is a proven tool for determining compositional and other properties of remote objects. Narrow band imaging and low resolving spectroscopic measurements provide information about composition, photochemical evolution, energy distribution and density. The extension to high resolving power provides further access to temperature, velocity, isotopic ratios, separation of blended sources, and opacity effects. The drawback of high-resolution spectroscopy comes from the instrumental limitations of lower throughput, the necessity of small entrance apertures, sensitivity, field of view, and large physical instrumental size. These limitations quickly become definitive for faint and/or extended targets and for spacecraft encounters. An emerging technique with promise for the study of faint, extended sources at high resolving power is the all-reflective form of the Spatial Heterodyne Spectrometer (SHS). SHS instruments are compact and naturally possess both high etendue and high resolving power. To achieve similar spectral grasp, grating spectrometers require big telescopes. SHS is a common-path beam Fourier transform interferometer that produces Fizeau fringe pattern for all other wavelengths except the tuned wavelength. Compared to similar Fourier transform Spectrometers (FTS), SHS has considerably relaxed optical tolerances that make it easier to use in the visible and UV spectral ranges. The large etendue of SHS instruments makes them ideal for observations of extended, low surface brightness, isolated emission line sources, while their intrinsically high spectral resolution enables the study of the dynamical and spectral characteristics described above. SHS also combines very

  12. Rapid, specific determination of iodine and iodide by combined solid-phase extraction/diffuse reflectance spectroscopy

    Science.gov (United States)

    Arena, Matteo P.; Porter, Marc D.; Fritz, James S.

    2002-01-01

    A new, rapid methodology for trace analysis using solid-phase extraction is described. The two-step methodology is based on the concentration of an analyte onto a membrane disk and on the determination by diffuse reflectance spectroscopy of the amount of analyte extracted on the disk surface. This method, which is adaptable to a wide range of analytes, has been used for monitoring ppm levels of iodine and iodide in spacecraft water. Iodine is used as a biocide in spacecraft water. For these determinations, a water sample is passed through a membrane disk by means of a 10-mL syringe that is attached to a disk holder assembly. The disk, which is a polystyrene-divinylbenzene composite, is impregnated with poly(vinylpyrrolidone) (PVP), which exhaustively concentrates iodine as a yellow iodine-PVP complex. The amount of concentrated iodine is then determined in only 2 s by using a hand-held diffuse reflectance spectrometer by comparing the result with a calibration curve based on the Kubelka-Munk function. The same general procedure can be used to determine iodide levels after its facile and exhaustive oxidation to iodine by peroxymonosulfate (i.e., Oxone reagent). For samples containing both analytes, a two-step procedure can be used in which the iodide concentration is calculated from the difference in iodine levels before and after treatment of the sample with peroxymonosulfate. With this methodology, iodine and iodide levels in the 0.1-5.0 ppm range can be determined with a total workup time of approximately 60 s with a RSD of approximately 6%.

  13. Simultaneous determination of CRP and D-dimer in human blood plasma samples with White Light Reflectance Spectroscopy.

    Science.gov (United States)

    Koukouvinos, Georgios; Petrou, Panagiota; Misiakos, Konstantinos; Drygiannakis, Dimitris; Raptis, Ioannis; Stefanitsis, Gerasimos; Martini, Spyridoula; Nikita, Dimitra; Goustouridis, Dimitrios; Moser, Isabella; Jobst, Gerhard; Kakabakos, Sotirios

    2016-10-15

    A dual-analyte assay for the simultaneous determination of C-reactive protein (CRP) and D-dimer in human blood plasma based on a white light interference spectroscopy sensing platform is presented. Measurement is accomplished in real-time by scanning the sensing surface, on which distinct antibody areas have been created, with a reflection probe used both for illumination of the surface and collection of the reflected interference spectrum. The composition of the transducer, the sensing surface chemical activation and biofunctionalization procedures were optimized with respect to signal magnitude and repeatability. The assay format involved direct detection of CRP whereas for D-dimer a two-site immunoassay employing a biotinylated reporter antibody and reaction with streptavidin was selected. The assays were sensitive with detection limits of 25ng/mL for both analytes, precise with intra- and inter-assay CV values ranging from 3.6% to 7.7%, and from 4.8% to 9.5%, respectively, for both assays, and accurate with recovery values ranging from 88.5% to 108% for both analytes. Moreover, the values determined for the two analytes in 35 human plasma samples were in excellent agreement with those received for the same samples by standard diagnostic laboratory instrumentation employing commercial kits. The excellent agreement of the results supported the validity of the proposed system for clinical application for the detection of multiple analytes since it was demonstrated that up to seven antibody areas can be created on the sensing surface and successfully interrogated with the developed optical set-up. Copyright © 2015. Published by Elsevier B.V.

  14. A noninvasive assessment of skin carotenoid status through reflection spectroscopy is a feasible and reliable measure of dietary carotenoid consumption in a diverse community sample

    Science.gov (United States)

    Background: Skin carotenoid status, as assessed by reflection spectroscopy (RS), is a promising means of approximating fruit and vegetable consumption. This study’s purpose was to assess the feasibility, reliability, and validity of RS to assess skin carotenoids in a racially diverse community sampl...

  15. Can Leaf Spectroscopy Predict Leaf and Forest Traits Along a Peruvian Tropical Forest Elevation Gradient?

    Science.gov (United States)

    Doughty, Christopher E.; Santos-Andrade, P. E.; Goldsmith, G. R.; Blonder, B.; Shenkin, A.; Bentley, L. P.; Chavana-Bryant, C.; Huaraca-Huasco, W.; Díaz, S.; Salinas, N.; Enquist, B. J.; Martin, R.; Asner, G. P.; Malhi, Y.

    2017-11-01

    High-resolution spectroscopy can be used to measure leaf chemical and structural traits. Such leaf traits are often highly correlated to other traits, such as photosynthesis, through the leaf economics spectrum. We measured VNIR (visible-near infrared) leaf reflectance (400-1,075 nm) of sunlit and shaded leaves in 150 dominant species across ten, 1 ha plots along a 3,300 m elevation gradient in Peru (on 4,284 individual leaves). We used partial least squares (PLS) regression to compare leaf reflectance to chemical traits, such as nitrogen and phosphorus, structural traits, including leaf mass per area (LMA), branch wood density and leaf venation, and "higher-level" traits such as leaf photosynthetic capacity, leaf water repellency, and woody growth rates. Empirical models using leaf reflectance predicted leaf N and LMA (r2 > 30% and %RMSE < 30%), weakly predicted leaf venation, photosynthesis, and branch density (r2 between 10 and 35% and %RMSE between 10% and 65%), and did not predict leaf water repellency or woody growth rates (r2<5%). Prediction of higher-level traits such as photosynthesis and branch density is likely due to these traits correlations with LMA, a trait readily predicted with leaf spectroscopy.

  16. Enhanced Single Seed Trait Predictions in Soybean (Glycine max) and Robust Calibration Model Transfer with Near-Infrared Reflectance Spectroscopy.

    Science.gov (United States)

    Hacisalihoglu, Gokhan; Gustin, Jeffery L; Louisma, Jean; Armstrong, Paul; Peter, Gary F; Walker, Alejandro R; Settles, A Mark

    2016-02-10

    Single seed near-infrared reflectance (NIR) spectroscopy predicts soybean (Glycine max) seed quality traits of moisture, oil, and protein. We tested the accuracy of transferring calibrations between different single seed NIR analyzers of the same design by collecting NIR spectra and analytical trait data for globally diverse soybean germplasm. X-ray microcomputed tomography (μCT) was used to collect seed density and shape traits to enhance the number of soybean traits that can be predicted from single seed NIR. Partial least-squares (PLS) regression gave accurate predictive models for oil, weight, volume, protein, and maximal cross-sectional area of the seed. PLS models for width, length, and density were not predictive. Although principal component analysis (PCA) of the NIR spectra showed that black seed coat color had significant signal, excluding black seeds from the calibrations did not impact model accuracies. Calibrations for oil and protein developed in this study as well as earlier calibrations for a separate NIR analyzer of the same design were used to test the ability to transfer PLS regressions between platforms. PLS models built from data collected on one NIR analyzer had minimal differences in accuracy when applied to spectra collected from a sister device. Model transfer was more robust when spectra were trimmed from 910 to 1679 nm to 955-1635 nm due to divergence of edge wavelengths between the two devices. The ability to transfer calibrations between similar single seed NIR spectrometers facilitates broader adoption of this high-throughput, nondestructive, seed phenotyping technology.

  17. Feasibility of diffuse reflectance infrared Fourier spectroscopy (DRIFTS) to quantify iron-cyanide (Fe-CN) complexes in soil

    Science.gov (United States)

    Sut-Lohmann, Magdalena; Raab, Thomas

    2017-04-01

    Contaminated sites create a significant risk to human health, by poisoning drinking water, soil, air and as a consequence food. Continuous release of persistent iron-cyanide (Fe-CN) complexes from various industrial sources poses a high hazard to the environment and indicates the necessity to analyze considerable amount of samples. At the present time quantitative determination of Fe-CN concentration in soil usually requires a time consuming two step process: digestion of the sample (e.g., micro distillation system) and its analytical detection performed, e.g., by automated spectrophotometrical flow injection analysis (FIA). In order to determine the feasibility of diffuse reflectance infrared Fourier spectroscopy (DRIFTS) to quantify the Fe-CN complexes in soil matrix, 42 soil samples were collected (8 to 12.520 mg kg-1CN) indicating single symmetrical CN band in the range 2092 - 2084 cm-1. Partial least squares (PLS) calibration-validation model revealed IR response to CNtot exceeding 1268 mg kg-1 (limit of detection, LOD). Subsequently, leave-one-out cross-validation (LOO-CV) was performed on soil samples containing low CNtot (900 mg kg-1 resulted in LOD equal to 3494 mg kg-1. Our results indicate that spectroscopic data in combination with PLS statistics can efficiently be used to predict Fe-CN concentrations in soil. We conclude that the protocol applied in this study can strongly reduce the time and costs essential for the spatial and vertical screening of the site affected by complexed Fe-CN.

  18. Total reflection x-ray fluorescence spectroscopy as a tool for evaluation of iron concentration in ferrofluids and yeast samples

    Energy Technology Data Exchange (ETDEWEB)

    Kulesh, N.A., E-mail: nikita.kulesh@urfu.ru [Ural Federal University, Mira 19, 620002 Ekaterinburg (Russian Federation); Novoselova, I.P. [Ural Federal University, Mira 19, 620002 Ekaterinburg (Russian Federation); Immanuel Kant Baltic Federal University, 236041 Kaliningrad (Russian Federation); Safronov, A.P. [Ural Federal University, Mira 19, 620002 Ekaterinburg (Russian Federation); Institute of Electrophysics UD RAS, Amundsen 106, 620016 Ekaterinburg (Russian Federation); Beketov, I.V.; Samatov, O.M. [Institute of Electrophysics UD RAS, Amundsen 106, 620016 Ekaterinburg (Russian Federation); Kurlyandskaya, G.V. [Ural Federal University, Mira 19, 620002 Ekaterinburg (Russian Federation); University of the Basque Country UPV-EHU, 48940 Leioa (Spain); Morozova, M. [Ural Federal University, Mira 19, 620002 Ekaterinburg (Russian Federation); Denisova, T.P. [Irkutsk State University, Karl Marks 1, 664003 Irkutsk (Russian Federation)

    2016-10-01

    In this study, total reflection x-ray fluorescent (TXRF) spectrometry was applied for the evaluation of iron concentration in ferrofluids and biological samples containing iron oxide magnetic nanoparticles obtained by the laser target evaporation technique. Suspensions of maghemite nanoparticles of different concentrations were used to estimate the limitation of the method for the evaluation of nanoparticle concentration in the range of 1–5000 ppm in absence of organic matrix. Samples of single-cell yeasts grown in the nutrient media containing maghemite nanoparticles were used to study the nanoparticle absorption mechanism. The obtained results were analyzed in terms of applicability of TXRF for quantitative analysis in a wide range of iron oxide nanoparticle concentrations for biological samples and ferrofluids with a simple established protocol of specimen preparation. - Highlights: • Ferrofluids and yeasts samples were analysed by TXRF spectroscopy. • Simple protocol for iron quantification by means of TXRF was proposed. • Results were combined with magnetic, structural, and morphological characterization. • Preliminary conclusion on nanoparticles uptake mechanism was made.

  19. Modeling and Forecasting of Depletion of Additives in Car Engine Oils Using Attenuated Total Reflectance Fast Transform Infrared Spectroscopy

    Directory of Open Access Journals (Sweden)

    Ronald Nguele

    2014-11-01

    Full Text Available On average, additives make up to 7% of a typical lubricant base. Commonly, they are blended with lube oils to enhance specific features thereby improving their qualities. Ultimately, additives participate in the performance of car engine oils. Using an analytical tool, attenuated total reflectance fast transform infrared spectroscopy, various grades of car engine oils, at different mileages, were analyzed. Sulfate oxidation and wear were found to trigger chemical processes which, in the long run, cause lubricant degradation while carbonyl oxidation was observed to occur only at a slow rate. Based upon data obtained from infrared spectra and using a curve fitting technique, mathematical equations predicting the theoretical rates of chemical change due to the aforementioned processes were examined. Additive depletions were found to obey exponential regression rather than polynomial. Moreover, breakpoint (breakpoint is used here to denote the initiation of deterioration of additives and critical mileage (critical mileage defines the distance at which the lubricant is chemically unusable of both samples were determined.

  20. Band gap and defect states of MgO thin films investigated using reflection electron energy loss spectroscopy

    Directory of Open Access Journals (Sweden)

    Sung Heo

    2015-07-01

    Full Text Available The band gap and defect states of MgO thin films were investigated by using reflection electron energy loss spectroscopy (REELS and high-energy resolution REELS (HR-REELS. HR-REELS with a primary electron energy of 0.3 keV revealed that the surface F center (FS energy was located at approximately 4.2 eV above the valence band maximum (VBM and the surface band gap width (EgS was approximately 6.3 eV. The bulk F center (FB energy was located approximately 4.9 eV above the VBM and the bulk band gap width was about 7.8 eV, when measured by REELS with 3 keV primary electrons. From a first-principles calculation, we confirmed that the 4.2 eV and 4.9 eV peaks were FS and FB, induced by oxygen vacancies. We also experimentally demonstrated that the HR-REELS peak height increases with increasing number of oxygen vacancies. Finally, we calculated the secondary electron emission yields (γ for various noble gases. He and Ne were not influenced by the defect states owing to their higher ionization energies, but Ar, Kr, and Xe exhibited a stronger dependence on the defect states owing to their small ionization energies.

  1. Discrimination of Transgenic Rice Based on Near Infrared Reflectance Spectroscopy and Partial Least Squares Regression Discriminant Analysis

    Directory of Open Access Journals (Sweden)

    ZHANG Long

    2015-09-01

    Full Text Available Near infrared reflectance spectroscopy (NIRS, a non-destructive measurement technique, was combined with partial least squares regression discrimiant analysis (PLS-DA to discriminate the transgenic (TCTP and mi166 and wild type (Zhonghua 11 rice. Furthermore, rice lines transformed with protein gene (OsTCTP and regulation gene (Osmi166 were also discriminated by the NIRS method. The performances of PLS-DA in spectral ranges of 4 000–8 000 cm-1 and 4 000–10 000 cm-1 were compared to obtain the optimal spectral range. As a result, the transgenic and wild type rice were distinguished from each other in the range of 4 000–10 000 cm-1, and the correct classification rate was 100.0% in the validation test. The transgenic rice TCTP and mi166 were also distinguished from each other in the range of 4 000–10 000 cm-1, and the correct classification rate was also 100.0%. In conclusion, NIRS combined with PLS-DA can be used for the discrimination of transgenic rice.

  2. The application of Near-Infrared Reflectance Spectroscopy (NIRS) to detect melamine adulteration of soya bean meal.

    Science.gov (United States)

    Haughey, Simon A; Graham, Stewart F; Cancouët, Emmanuelle; Elliott, Christopher T

    2013-02-15

    Soya bean products are used widely in the animal feed industry as a protein based feed ingredient and have been found to be adulterated with melamine. This was highlighted in the Chinese scandal of 2008. Dehulled soya (GM and non-GM), soya hulls and toasted soya were contaminated with melamine and spectra were generated using Near Infrared Reflectance Spectroscopy (NIRS). By applying chemometrics to the spectral data, excellent calibration models and prediction statistics were obtained. The coefficients of determination (R(2)) were found to be 0.89-0.99 depending on the mathematical algorithm used, the data pre-processing applied and the sample type used. The corresponding values for the root mean square error of calibration and prediction were found to be 0.081-0.276% and 0.134-0.368%, respectively, again depending on the chemometric treatment applied to the data and sample type. In addition, adopting a qualitative approach with the spectral data and applying PCA, it was possible to discriminate between the four samples types and also, by generation of Cooman's plots, possible to distinguish between adulterated and non-adulterated samples. Copyright © 2012 Elsevier Ltd. All rights reserved.

  3. Studying flow close to an interface by total internal reflection fluorescence cross-correlation spectroscopy: Quantitative data analysis

    Science.gov (United States)

    Schmitz, R.; Yordanov, S.; Butt, H. J.; Koynov, K.; Dünweg, B.

    2011-12-01

    Total internal reflection fluorescence cross-correlation spectroscopy (TIR-FCCS) has recently [S. Yordanov , Optics ExpressOPEXFF1094-408710.1364/OE.17.021149 17, 21149 (2009)] been established as an experimental method to probe hydrodynamic flows near surfaces, on length scales of tens of nanometers. Its main advantage is that fluorescence occurs only for tracer particles close to the surface, thus resulting in high sensitivity. However, the measured correlation functions provide only rather indirect information about the flow parameters of interest, such as the shear rate and the slip length. In the present paper, we show how to combine detailed and fairly realistic theoretical modeling of the phenomena by Brownian dynamics simulations with accurate measurements of the correlation functions, in order to establish a quantitative method to retrieve the flow properties from the experiments. First, Brownian dynamics is used to sample highly accurate correlation functions for a fixed set of model parameters. Second, these parameters are varied systematically by means of an importance-sampling Monte Carlo procedure in order to fit the experiments. This provides the optimum parameter values together with their statistical error bars. The approach is well suited for massively parallel computers, which allows us to do the data analysis within moderate computing times. The method is applied to flow near a hydrophilic surface, where the slip length is observed to be smaller than 10nm, and, within the limitations of the experiments and the model, indistinguishable from zero.

  4. Quantitative evaluation of multiple adulterants in roasted coffee by Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS) and chemometrics.

    Science.gov (United States)

    Reis, Nádia; Franca, Adriana S; Oliveira, Leandro S

    2013-10-15

    The current study presents an application of Diffuse Reflectance Infrared Fourier Transform Spectroscopy for detection and quantification of fraudulent addition of commonly employed adulterants (spent coffee grounds, coffee husks, roasted corn and roasted barley) to roasted and ground coffee. Roasted coffee samples were intentionally blended with the adulterants (pure and mixed), with total adulteration levels ranging from 1% to 66% w/w. Partial Least Squares Regression (PLS) was used to relate the processed spectra to the mass fraction of adulterants and the model obtained provided reliable predictions of adulterations at levels as low as 1% w/w. A robust methodology was implemented that included the detection of outliers. High correlation coefficients (0.99 for calibration; 0.98 for validation) coupled with low degrees of error (1.23% for calibration; 2.67% for validation) confirmed that DRIFTS can be a valuable analytical tool for detection and quantification of adulteration in ground, roasted coffee. Copyright © 2013 Elsevier B.V. All rights reserved.

  5. Right prefrontal activity reflects the ability to overcome sleepiness during working memory tasks: a functional near-infrared spectroscopy study.

    Directory of Open Access Journals (Sweden)

    Motoyasu Honma

    Full Text Available It has been speculated that humans have an inherent ability to overcome sleepiness that counteracts homeostatic sleep pressure. However, it remains unclear which cortical substrate activities are involved in the ability to overcome sleepiness during the execution of cognitive tasks. Here we sought to confirm that this ability to overcome sleepiness in task execution improves performance on cognitive tasks, showing activation of neural substrates in the frontal cortex, by using a modified n-back (2- and 0-back working memory task and functional near-infrared spectroscopy. The change in alertness was just correlated with performances on the 2-back task. Activity in the right prefrontal cortex changed depending on alertness changes on the 2- and 0-back tasks independently, which indicates that activity in this region clearly reflects the ability to overcome sleepiness; it may contribute to the function of providing sufficient activity to meet the task load demands. This study reveals characteristics of the ability to overcome sleepiness during the n-back working memory task which goes beyond the attention-control function traditionally proposed.

  6. Left Prefrontal Activity Reflects the Ability of Vicarious Fear Learning: A Functional Near-Infrared Spectroscopy Study

    Directory of Open Access Journals (Sweden)

    Qingguo Ma

    2013-01-01

    Full Text Available Fear could be acquired indirectly via social observation. However, it remains unclear which cortical substrate activities are involved in vicarious fear transmission. The present study was to examine empathy-related processes during fear learning by-proxy and to examine the activation of prefrontal cortex by using functional near-infrared spectroscopy. We simultaneously measured participants’ hemodynamic responses and skin conductance responses when they were exposed to a movie. In this movie, a demonstrator (i.e., another human being was receiving a classical fear conditioning. A neutral colored square paired with shocks (CSshock and another colored square paired with no shocks (CSno-shock were randomly presented in front of the demonstrator. Results showed that increased concentration of oxygenated hemoglobin in left prefrontal cortex was observed when participants watched a demonstrator seeing CSshock compared with that exposed to CSno-shock. In addition, enhanced skin conductance responses showing a demonstrator's aversive experience during learning object-fear association were observed. The present study suggests that left prefrontal cortex, which may reflect speculation of others’ mental state, is associated with social fear transmission.

  7. Left prefrontal activity reflects the ability of vicarious fear learning: a functional near-infrared spectroscopy study.

    Science.gov (United States)

    Ma, Qingguo; Huang, Yujing; Wang, Lei

    2013-01-01

    Fear could be acquired indirectly via social observation. However, it remains unclear which cortical substrate activities are involved in vicarious fear transmission. The present study was to examine empathy-related processes during fear learning by-proxy and to examine the activation of prefrontal cortex by using functional near-infrared spectroscopy. We simultaneously measured participants' hemodynamic responses and skin conductance responses when they were exposed to a movie. In this movie, a demonstrator (i.e., another human being) was receiving a classical fear conditioning. A neutral colored square paired with shocks (CS(shock)) and another colored square paired with no shocks (CS(no-shock)) were randomly presented in front of the demonstrator. Results showed that increased concentration of oxygenated hemoglobin in left prefrontal cortex was observed when participants watched a demonstrator seeing CS(shock) compared with that exposed to CS(no-shock). In addition, enhanced skin conductance responses showing a demonstrator's aversive experience during learning object-fear association were observed. The present study suggests that left prefrontal cortex, which may reflect speculation of others' mental state, is associated with social fear transmission.

  8. Determination of quality parameters of beers by the use of attenuated total reflectance-Fourier transform infrared spectroscopy.

    Science.gov (United States)

    Llario, Rafael; Iñón, Fernando A; Garrigues, Salvador; de la Guardia, Miguel

    2006-04-15

    The estimation of important quality parameters of beers, such as original and real extracts and alcohol content, has been evaluated by attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR) using a partial least square (PLS) calibration approach. Two sample populations, one consisting of 24 samples and other of 21 samples, obtained from the Spanish market and covering different types of beer were used. The first set was used for building and validating the model, whereas the second, measured 6 months after, was used for evaluating its robustness. The spectral range and the size of the calibration set and its suitability for building the PLS model have been evaluated. Considering a calibration set comprised of 12 samples, selected via hierarchical cluster analysis, and a validation data set of 11 samples, the absolute mean difference (d(x-y)) and standard deviation of mean differences (s(x-y)) of the real extract, original extract and alcohol content were 0.009 and 0.069% (w/w), -0.021 and 0.20% (w/w) and -0.003 and 0.130% (v/v), respectively. The maximum error for the prediction of any of these three parameters for a new sample did not exceed 2.5%. These values were practically invariant for both tested data sets. The developed methodology favourably compares with the automatic reference methodology in terms of speed and reagent consumption and waste generation.

  9. In Situ Nondestructive Analysis of Kalanchoe pinnata Leaf Surface Structure by Polarization-Modulation Infrared Reflection-Absorption Spectroscopy.

    Science.gov (United States)

    Hama, Tetsuya; Kouchi, Akira; Watanabe, Naoki; Enami, Shinichi; Shimoaka, Takafumi; Hasegawa, Takeshi

    2017-12-14

    The outermost surface of the leaves of land plants is covered with a lipid membrane called the cuticle that protects against various stress factors. Probing the molecular-level structure of the intact cuticle is highly desirable for understanding its multifunctional properties. We report the in situ characterization of the surface structure of Kalanchoe pinnata leaves using polarization-modulation infrared reflection-absorption spectroscopy (PM-IRRAS). Without sample pretreatment, PM-IRRAS measures the IR spectra of the leaf cuticle of a potted K. pinnata plant. The peak position of the CH 2 -related modes shows that the cuticular waxes on the leaf surface are mainly crystalline, and the alkyl chains are highly packed in an all-trans zigzag conformation. The surface selection rule of PM-IRRAS revealed the average orientation of the cuticular molecules, as indicated by the positive and negative signals of the IR peaks. This unique property of PM-IRRAS revealed that the alkyl chains of the waxes and the main chains of polysaccharides are oriented almost perpendicular to the leaf surface. The nondestructive, background-free, and environmental gas-free nature of PM-IRRAS allows the structure and chemistry of the leaf cuticle to be studied directly in its native environment.

  10. Diffuse Reflectance Spectroscopy (DRS) of radiation-induced re-oxygenation in sensitive and resistant head and neck tumor xenografts

    Science.gov (United States)

    Dadgar, Sina; Rodríguez Troncoso, Joel; Rajaram, Narasimhan

    2018-02-01

    Currently, anatomical assessment of tumor volume performed several weeks after completion of treatment is the clinical standard to determine whether a cancer patient has responded to a treatment. However, functional changes within the tumor could potentially provide information regarding treatment resistance or response much earlier than anatomical changes. We have used diffuse reflectance spectroscopy to assess the short and long-term re-oxygenation kinetics of a human head and neck squamous cell carcinoma xenografts in response to radiation therapy. First, we injected UM-SCC-22B cell line into the flank of 50 mice to grow xenografts. Once the tumor volume reached 200 mm3 (designated as Day 1), the mice were distributed into radiation and control groups. Members of radiation group underwent a clinical dose of radiation of 2 Gy/day on Days 1, 4, 7, and 10 for a cumulative dose of 8 Gy. DRS spectra of these tumors were collected for 14 days during and after therapy, and the collected spectra of each tumor were converted to its optical properties using a lookup table-base inverse model. We found statistically significant differences in tumor growth rate between two groups which is in indication of the sensitivity of this cell line to radiation. We further acquired significantly different contents of hemoglobin and scattering magnitude and size in two groups. The scattering has previously been associated with necrosis. We furthermore found significantly different time-dependent changes in vascular oxygenation and tumor hemoglobin concentration in post-radiation days.

  11. Analysis of ewe’s milk by FT Near Infrared spectroscopy: measurement of samples on Petri dishes in reflectance mode

    Directory of Open Access Journals (Sweden)

    Květoslava Šustová

    2006-01-01

    Full Text Available Our work deals with a possibility of determination of basic composition (dry matter, fat, protein, casein, lactose and urea nitrogen of ewe’s milk and colostrum by FT NIR spectroscopy. Samples of milk were warmed to 40 °C, agitated, cooled to 20 °C, transferred into Petri dishes and analysed by reference methods and by FT NIR in reflectance mode. The measured area was spaced by a metallic mirror. Statistically significant differences between the reference values and the calculated values of NIR were not found (p=0.05. Results of calibration for ewe’s milk determined the highest correlation coefficients: dry matter 0.983, fat 0.989, true protein 0.997, casein 0.977, lactose 0.980 and urea nitrogen 0.973. The study showed that NIRS method, when samples of milk are measured on Petri dishes, is a useful technique for the prediction of dry matter, fat, protein and casein in ewe’s milk.

  12. Total reflection x-ray fluorescence spectroscopy as a tool for evaluation of iron concentration in ferrofluids and yeast samples

    International Nuclear Information System (INIS)

    Kulesh, N.A.; Novoselova, I.P.; Safronov, A.P.; Beketov, I.V.; Samatov, O.M.; Kurlyandskaya, G.V.; Morozova, M.; Denisova, T.P.

    2016-01-01

    In this study, total reflection x-ray fluorescent (TXRF) spectrometry was applied for the evaluation of iron concentration in ferrofluids and biological samples containing iron oxide magnetic nanoparticles obtained by the laser target evaporation technique. Suspensions of maghemite nanoparticles of different concentrations were used to estimate the limitation of the method for the evaluation of nanoparticle concentration in the range of 1–5000 ppm in absence of organic matrix. Samples of single-cell yeasts grown in the nutrient media containing maghemite nanoparticles were used to study the nanoparticle absorption mechanism. The obtained results were analyzed in terms of applicability of TXRF for quantitative analysis in a wide range of iron oxide nanoparticle concentrations for biological samples and ferrofluids with a simple established protocol of specimen preparation. - Highlights: • Ferrofluids and yeasts samples were analysed by TXRF spectroscopy. • Simple protocol for iron quantification by means of TXRF was proposed. • Results were combined with magnetic, structural, and morphological characterization. • Preliminary conclusion on nanoparticles uptake mechanism was made.

  13. A reverse Monte Carlo method for deriving optical constants of solids from reflection electron energy-loss spectroscopy spectra

    International Nuclear Information System (INIS)

    Da, B.; Sun, Y.; Ding, Z. J.; Mao, S. F.; Zhang, Z. M.; Jin, H.; Yoshikawa, H.; Tanuma, S.

    2013-01-01

    A reverse Monte Carlo (RMC) method is developed to obtain the energy loss function (ELF) and optical constants from a measured reflection electron energy-loss spectroscopy (REELS) spectrum by an iterative Monte Carlo (MC) simulation procedure. The method combines the simulated annealing method, i.e., a Markov chain Monte Carlo (MCMC) sampling of oscillator parameters, surface and bulk excitation weighting factors, and band gap energy, with a conventional MC simulation of electron interaction with solids, which acts as a single step of MCMC sampling in this RMC method. To examine the reliability of this method, we have verified that the output data of the dielectric function are essentially independent of the initial values of the trial parameters, which is a basic property of a MCMC method. The optical constants derived for SiO 2 in the energy loss range of 8-90 eV are in good agreement with other available data, and relevant bulk ELFs are checked by oscillator strength-sum and perfect-screening-sum rules. Our results show that the dielectric function can be obtained by the RMC method even with a wide range of initial trial parameters. The RMC method is thus a general and effective method for determining the optical properties of solids from REELS measurements.

  14. Rapid intra-operative diagnosis of kidney cancer by attenuated total reflection infrared spectroscopy of tissue smears.

    Science.gov (United States)

    Pucetaite, Milda; Velicka, Martynas; Urboniene, Vidita; Ceponkus, Justinas; Bandzeviciute, Rimante; Jankevicius, Feliksas; Zelvys, Arunas; Sablinskas, Valdas; Steiner, Gerald

    2018-01-09

    Herein, a technique to analyze air-dried kidney tissue impression smears by means of attenuated total reflection infrared (ATR-IR) spectroscopy is presented. Spectral tumor markers-absorption bands of glycogen-are identified in the ATR-IR spectra of the kidney tissue smear samples. Thin kidney tissue cryo-sections currently used for IR spectroscopic analysis lack such spectral markers as the sample preparation causes irreversible molecular changes in the tissue. In particular, freeze-thaw cycle results in degradation of the glycogen and reduction or complete dissolution of its content. Supervised spectral classification was applied to the recorded spectra of the smears and the test spectra were classified with a high accuracy of 92% for normal tissue and 94% for tumor tissue, respectively. For further development, we propose that combination of the method with optical fiber ATR probes could potentially be used for rapid real-time intra-operative tissue analysis without interfering with either the established protocols of pathological examination or the ordinary workflow of operating surgeon. Such approach could ensure easier transition of the method to clinical applications where it may complement the results of gold standard histopathology examination and aid in more precise resection of kidney tumors. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Development of a UAV system for VNIR-TIR acquisitions in precision agriculture

    Science.gov (United States)

    Misopolinos, L.; Zalidis, Ch.; Liakopoulos, V.; Stavridou, D.; Katsigiannis, P.; Alexandridis, T. K.; Zalidis, G.

    2015-06-01

    Adoption of precision agriculture techniques requires the development of specialized tools that provide spatially distributed information. Both flying platforms and airborne sensors are being continuously evolved to cover the needs of plant and soil sensing at affordable costs. Due to restrictions in payload, flying platforms are usually limited to carry a single sensor on board. The aim of this work is to present the development of a vertical take-off and landing autonomous unmanned aerial vehicle (VTOL UAV) system for the simultaneous acquisition of high resolution vertical images at the visible, near infrared (VNIR) and thermal infrared (TIR) wavelengths. A system was developed that has the ability to trigger two cameras simultaneously with a fully automated process and no pilot intervention. A commercial unmanned hexacopter UAV platform was optimized to increase reliability, ease of operation and automation. The designed systems communication platform is based on a reduced instruction set computing (RISC) processor running Linux OS with custom developed drivers in an efficient way, while keeping the cost and weight to a minimum. Special software was also developed for the automated image capture, data processing and on board data and metadata storage. The system was tested over a kiwifruit field in northern Greece, at flying heights of 70 and 100m above the ground. The acquired images were mosaicked and geo-corrected. Images from both flying heights were of good quality and revealed unprecedented detail within the field. The normalized difference vegetation index (NDVI) was calculated along with the thermal image in order to provide information on the accurate location of stressors and other parameters related to the crop productivity. Compared to other available sources of data, this system can provide low cost, high resolution and easily repeatable information to cover the requirements of precision agriculture.

  16. NON-INVASIVE SURVEY OF OLD PAINTINGS USING VNIR HYPERSPECTRAL SENSOR

    Directory of Open Access Journals (Sweden)

    E. Matouskova

    2013-07-01

    Full Text Available Hyperspectral imaging is relatively new method developed primarily for army applications with respect to detection of possible chemical weapon existence and as an efficient assistant for a geological survey. The method is based on recording spectral profile for many hundreds of narrow spectral band. The technique gives full spectral curve of explored pixel which is an unparalleled signature of pixels material. Spectral signatures can then be compared with pre-defined spectral libraries or they can be created with respect to application. A new project named "New Modern Methods of Non-invasive Survey of Historical Site Objects" started at CTU in Prague with the New Year. The project is designed for 4 years and is funded by the Ministry of Culture in the Czech Republic. It is focused on material and chemical composition, damage diagnostics, condition description of paintings, images, construction components and whole structure object analysis in cultural heritage domain. This paper shows first results of the project on painting documentation field as well as used instrument. Hyperspec VNIR by Headwall Photonics was used for this analysis. It operates in the spectral range between 400 and 1000 nm. Comparison with infrared photography is discussed. The goal of this contribution is a non-destructive deep exploration of specific paintings. Two original 17th century paintings by Flemish authors Thomas van Apshoven ("On the Road" and David Teniers the Younger ("The Interior of a Mill" were chosen for the first analysis with a kind permission of academic painter Mr. M. Martan. Both paintings oil painted on wooden panel. This combination was chosen because of the possibility of underdrawing visualization which is supposed to be the most uncomplicated painting combination for this type of analysis.

  17. A fecal near-infrared reflectance spectroscopy-aided methodology to determine goat dietary composition in a Mediterranean shrubland.

    Science.gov (United States)

    Glasser, T; Landau, S; Ungar, E D; Perevolotsky, A; Dvash, L; Muklada, H; Kababya, D; Walker, J W

    2008-06-01

    An ecologically sound approach to the problem of brush encroachment onto Israeli rangeland might be their utilization by goats, but better knowledge of the feeding selectivity and ability of goats to thrive in encroached areas is required to devise viable production systems. Direct observation of bites could provide precise and accurate estimates of diet selection, but construction of a sufficiently large database would require too much time. The present study describes the first attempt to construct fecal near-infrared reflectance spectroscopy (NIRS) calibrations of the botanical and nutritional composition of the diet, and of the total intake of free-ranging goats, based on reference values determined with bite-count procedures. Calibration of fecal NIRS was based on 43 observations encompassing 3 goat breeds and 4 periods (spring, summer, and fall of 2004, and spring of 2005). Each observation comprised 242 min of continuous recording of the species and bite-type category selected by a single animal, on each of 2 consecutive days. The mass and chemical quality of each species and bite-type category-a total of more than 200,000 bites-were determined by using the simulated bite technique. Associated feces were scanned in the 1,100- to 2,500-nm range with a reflectance monochromator. Fecal NIRS calibrations had reasonable precision for dietary percentages of the 3 main botanical components: herbaceous vegetation (as one category; R(2) = 0.85), Phillyrea latifolia (R(2) = 0.89), and tannin-rich Pistacia lentiscus (R(2) = 0.77), with SE of cross-validation (SECV) of 7.8, 6.3, and 5.6% of DM, respectively. The R(2) values for dietary percentages of CP, NDF, IVDMD, and polyethylene glycol-binding tannins were 0.93, 0.88, 0.91, and 0.74, respectively, with SECV values of 0.9, 2.1, 4.3, and 0.9% of DM, respectively. The R(2) values for intakes of herbaceous vegetation, P. latifolia, and P. lentiscus were 0.80, 0.75, and 0.65, with SECV values of 71, 64, and 46 g of DM

  18. Analysis of H2O in silicate glass using attenuated total reflectance (ATR) micro-FTIR spectroscopy

    Science.gov (United States)

    Lowenstern, Jacob B.; Pitcher, Bradley W.

    2013-01-01

    We present a calibration for attenuated total reflectance (ATR) micro-FTIR for analysis of H2O in hydrous glass. A Ge ATR accessory was used to measure evanescent wave absorption by H2O within hydrous rhyolite and other standards. Absorbance at 3450 cm−1 (representing total H2O or H2Ot) and 1630 cm−1 (molecular H2O or H2Om) showed high correlation with measured H2O in the glasses as determined by transmission FTIR spectroscopy and manometry. For rhyolite, wt%H2O=245(±9)×A3450-0.22(±0.03) and wt%H2Om=235(±11)×A1630-0.20(±0.03) where A3450 and A1630 represent the ATR absorption at the relevant infrared wavelengths. The calibration permits determination of volatiles in singly polished glass samples with spot size down to ~5 μm (for H2O-rich samples) and detection limits of ~0.1 wt% H2O. Basaltic, basaltic andesite and dacitic glasses of known H2O concentrations fall along a density-adjusted calibration, indicating that ATR is relatively insensitive to glass composition, at least for calc-alkaline glasses. The following equation allows quantification of H2O in silicate glasses that range in composition from basalt to rhyolite: wt%H2O=(ω×A3450/ρ)+b where ω = 550 ± 21, b = −0.19 ± 0.03, ρ = density, in g/cm3, and A3450 is the ATR absorbance at 3450 cm−1. The ATR micro-FTIR technique is less sensitive than transmission FTIR, but requires only a singly polished sample for quantitative results, thus minimizing time for sample preparation. Compared with specular reflectance, it is more sensitive and better suited for imaging of H2O variations in heterogeneous samples such as melt inclusions. One drawback is that the technique can damage fragile samples and we therefore recommend mounting of unknowns in epoxy prior to polishing. Our calibration should hold for any Ge ATR crystals with the same incident angle (31°). Use of a different crystal type or geometry would require measurement of several H2O-bearing standards to provide a crystal

  19. [In situ diffuse reflectance FTIR spectroscopy study of CO adsorption on Ni2P/mesoporous molecule sieve catalysts].

    Science.gov (United States)

    Liu, Qian-qian; Ji, Sheng-fu; Wu, Ping-yi; Hu, Lin-hua; Huang, Xiao-fan; Zhu, Ji-qin; Li, Cheng-yue

    2009-05-01

    Abstract The supported nickel phosphate precursors were prepared by incipient wetness impregnation using nickel nitrate as nickel source, diammonium hydrogen phosphate as phosphorus source, and MCM-41, MCM-48, SBA-15 and SBA-16 as supports, respectively. Then, the supported Ni2 P catalysts were prepared by temperature-programmed reduction in flowing Hz from their nickel phosphate precursors. The in situ diffuse reflectance FTIR spectroscopy (DRIFTS) analysis with the probe molecule CO was carried out to characterize the surface properties. The results indicated that there were significant differences in the spectral features of the samples. The upsilon(CO) absorbances observed for adsorbed CO on mesoporous molecule sieve was attributed to weak physical adsorption. There are four different kinds of upsilon(CO) absorbances observed for adsorbed CO on Ni2 P/MCM-41 catalyst with the following assignments: (1) the formation of Ni(CO)4 at 2055 cm(-1). (2) CO terminally bonded to cus Ni(delta+) (0

  20. Using mid-Infrared External Reflectance Spectroscopy to Distinguish Between Different Commercially Produced Poly[Methyl MethAcrylate] (PMMA) Samples - A Null Result

    Science.gov (United States)

    Fajardo, Mario; Neel, Christopher; Lacina, David

    2017-06-01

    We report (null) results of experiments testing the hypothesis that mid-infrared (mid-IR) spectroscopy can be used to distinguish samples of poly[methyl methacrylate] (PMMA) obtained from different commercial suppliers. This work was motivated by the desire for a simple non-destructive and non-invasive test for pre-sorting PMMA samples prior to use in shock and high-strain-rate experiments, where PMMA is commonly used as a standard material. We discuss: our choice of mid-IR external reflectance spectroscopy, our approach to recording reflectance spectra at near-normal (θ = 0 + / - 5 degree) incidence and for extracting the wavelength-weighted absorption spectrum from the raw reflectance data via a Kramers-Krönig analysis. We employ extensive signal, which necessitates adopting a special experimental protocol to mitigate the effects of instrumental drift. Finally, we report spectra of three PMMA samples with different commercial pedigrees, and show that they are virtually identical (+ / - 1 % error, 95% confidence); obviating the use of mid-IR reflectance spectroscopy to tell the samples apart.

  1. Near-field reflection backscattering apertureless optical microscopy: Application to spectroscopy experiments on opaque samples, comparison between lock-in and digital photon counting detection techniques

    International Nuclear Information System (INIS)

    Diziain, S.; Bijeon, J.-L.; Adam, P.-M.; Lamy de la Chapelle, M.; Thomas, B.; Deturche, R.; Royer, P.

    2007-01-01

    An apertureless scanning near-field optical microscope (ASNOM) in reflection backscattering configuration is designed to conduct spectroscopic experiments on opaque samples constituted of latex beads. The ASNOM proposed takes advantage of the depth-discrimination properties of confocal microscopes to efficiently extract the near-field optical signal. Given their importance in a spectroscopic experiment, we systematically compare the lock-in and synchronous photon counting detection methods. Some results of Rayleigh's scattering in the near field of the test samples are used to illustrate the possibilities of this technique for reflection backscattering spectroscopy

  2. Near-field reflection backscattering apertureless optical microscopy: Application to spectroscopy experiments on opaque samples, comparison between lock-in and digital photon counting detection techniques

    Energy Technology Data Exchange (ETDEWEB)

    Diziain, S. [Institut Charles Delaunay, CNRS FRE 2848, Laboratoire de Nanotechnologie et d' Instrumentation Optique, Universite de technologie de Troyes, 12 rue Marie Curie, BP 2060, 10010 Troyes cedex (France); Bijeon, J.-L. [Institut Charles Delaunay, CNRS FRE 2848, Laboratoire de Nanotechnologie et d' Instrumentation Optique, Universite de technologie de Troyes, 12 rue Marie Curie, BP 2060, 10010 Troyes cedex (France)]. E-mail: bijeon@utt.fr; Adam, P.-M. [Institut Charles Delaunay, CNRS FRE 2848, Laboratoire de Nanotechnologie et d' Instrumentation Optique, Universite de technologie de Troyes, 12 rue Marie Curie, BP 2060, 10010 Troyes cedex (France); Lamy de la Chapelle, M. [Institut Charles Delaunay, CNRS FRE 2848, Laboratoire de Nanotechnologie et d' Instrumentation Optique, Universite de technologie de Troyes, 12 rue Marie Curie, BP 2060, 10010 Troyes cedex (France); Thomas, B. [Institut Charles Delaunay, CNRS FRE 2848, Laboratoire de Nanotechnologie et d' Instrumentation Optique, Universite de technologie de Troyes, 12 rue Marie Curie, BP 2060, 10010 Troyes cedex (France); Deturche, R. [Institut Charles Delaunay, CNRS FRE 2848, Laboratoire de Nanotechnologie et d' Instrumentation Optique, Universite de technologie de Troyes, 12 rue Marie Curie, BP 2060, 10010 Troyes cedex (France); Royer, P. [Institut Charles Delaunay, CNRS FRE 2848, Laboratoire de Nanotechnologie et d' Instrumentation Optique, Universite de technologie de Troyes, 12 rue Marie Curie, BP 2060, 10010 Troyes cedex (France)

    2007-01-15

    An apertureless scanning near-field optical microscope (ASNOM) in reflection backscattering configuration is designed to conduct spectroscopic experiments on opaque samples constituted of latex beads. The ASNOM proposed takes advantage of the depth-discrimination properties of confocal microscopes to efficiently extract the near-field optical signal. Given their importance in a spectroscopic experiment, we systematically compare the lock-in and synchronous photon counting detection methods. Some results of Rayleigh's scattering in the near field of the test samples are used to illustrate the possibilities of this technique for reflection backscattering spectroscopy.

  3. Use of polyurethane foam and 3-hydroxy-7,8-benzo-1,2,3,4-tetrahydroquinoline for determination of nitrite by diffuse reflectance spectroscopy and colorimetry.

    Science.gov (United States)

    Apyari, V V; Dmitrienko, S G; Ostrovskaya, V M; Anaev, E K; Zolotov, Y A

    2008-07-01

    Polyurethane foam (PUF) has been suggested as a solid polymeric reagent for determination of nitrite. The determination is based on the diazotization of end toluidine groups of PUF with nitrite in acidic medium followed by coupling of polymeric diazonium cation with 3-hydroxy-7,8-benzo-1,2,3,4-tetrahydroquinoline. The intensely colored polymeric azodye formed in this reaction can be used as a convenient analytic form for the determination of nitrite by diffuse reflectance spectroscopy (c (min) = 0.7 ng mL(-1)). The possibility of using a desktop scanner, digital camera, and computer data processing for the numerical evaluation of the color intensity of the polymeric azodye has been investigated. A scanner and digital camera can be used for determination of nitrite with the same sensitivity and reproducibility as with diffuse reflectance spectroscopy. The approach developed was applied for determination of nitrite in river water and human exhaled breath condensate.

  4. Rapid identification of soil cadmium pollution risk at regional scale based on visible and near-infrared spectroscopy

    International Nuclear Information System (INIS)

    Chen, Tao; Chang, Qingrui; Clevers, J.G.P.W.; Kooistra, L.

    2015-01-01

    Soil heavy metal pollution due to long-term sewage irrigation is a serious environmental problem in many irrigation areas in northern China. Quickly identifying its pollution status is an important basis for remediation. Visible-near-infrared reflectance spectroscopy (VNIRS) provides a useful tool. In a case study, 76 soil samples were collected and their reflectance spectra were used to estimate cadmium (Cd) concentration by partial least squares regression (PLSR) and back propagation neural network (BPNN). To reduce noise, six pre-treatments were compared, in which orthogonal signal correction (OSC) was first used in soil Cd estimation. Spectral analysis and geostatistics were combined to identify Cd pollution hotspots. Results showed that Cd was accumulated in topsoil at the study area. OSC can effectively remove irrelevant information to improve prediction accuracy. More accurate estimation was achieved by applying a BPNN. Soil Cd pollution hotspots could be identified by interpolating the predicted values obtained from spectral estimates. - Highlights: • Soil reflectance spectroscopy provides a promising tool for detecting soil contaminants. • Orthogonal signal correction efficiently extracted information from noisy spectra. • Back propagation neural network achieved a more accurate estimation for soil Cd. • Soil Cd pollution hotspots could be identified by interpolating the predicted Cd. - Combining spectral analysis and geostatistics can provide a rapid method for identifying the pollution hotspot of soil heavy metal at regional scale.

  5. Detection and identification of multiple adulterants in plant food supplements using attenuated total reflectance-Infrared spectroscopy.

    Science.gov (United States)

    Deconinck, E; Aouadi, C; Bothy, J L; Courselle, P

    2018-04-15

    Due to the rising popularity of dietary supplements, especially plant food supplements, and alternative herbal medicines, a whole market developed and these products became freely available through internet. Though several searches revealed that at least a part of these products, especially the ones obtained from websites disclosing their physical identity, are aldulterated with pharmaceutical compounds. This causes a threat for public health, since these compounds are not declared and therefore adverse effects will not immediately be related to the product. The more the adulterants can interfere with other medicinal treatments. Since the present active pharmaceutical ingredients are not declared on the package and the products are sold as 100% natural or herbal in nature, it is very difficult for custom personnel to discriminate between products to be confiscated or not. Therefore easy to apply analytical approaches to discriminate between adulterated and non-adulterated products are necessary. This paper presents an approach based on infrared spectroscopy combined with attenuated total reflectance (ATR) and partial least squares- discriminant analysis (PLS-DA) to easily differentiate between adulterated and non- adulterated plant food supplements and to get a first idea of the nature of the adulterant present. The performance of PLS-DA models based on Mid-IR and NIR data were compared as well as models based on the combined data. Further three preprocessing strategies were compared. The best performance was obtained for a PLS-DA model using Mid-IR data with the second derivative as preprocessing method. This model showed a correct classification rate of 98.3% for an external test set. Also eight real samples were screened using the model and for seven of these samples a correct classification was obtained. Generally it could be concluded that the obtained model and the presented approach could be used at customs to discriminate between adulterated and non

  6. AlGaAs/GaAs two-dimensional electron gas structures studied by photo reflectance spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Guillen Cervantes, A; Rivera Alvarez, Z; Hernandez, F; Huerta, J. [Instituto Politecnico Nacional, Mexico, D.F. (Mexico); Mendez Garcia, V. H.; Lastras Martinez, A.; Zamora, L.; Saucedo, N. [Universidad Autonoma de San Luis Potosi, San Luis Potosi (Mexico); Melendez Lira, M; Lopez, M [Instituto Politecnico Nacional, Mexico, D.F. (Mexico)

    2001-12-01

    Al{sub x} Ga{sub 1}-x As/GaAs two-dimensional electron gas (2-DEG) heterostructures were fabricated by molecular beam epitaxy in three different laboratories. The samples were characterized by room temperature Photo reflectance (PR) spectroscopy and measurements at 77 K. Internal electric fields were detected by the presence of Franz-Keldysh (FK) oscillations in the PR spectra. >From a FK analysis we obtained the GaAs band-gap energy and the built-in electric field strength in each sample. On the other hand, in the energy region corresponding to Al{sub x} Ga{sub 1}-x As a broad PR signal was registered typical of a highly doped material. Using the third derivative theory we obtained the Al{sub x} Ga{sub 1}-x As band-gap energy, and from this value the Al concentration in the samples. Results showed that the sample with highest electron mobility exhibited the lowest internal electric field strength. [Spanish] Se fabricaron heteroestructuras del tipo Al{sub x} Ga{sub 1}-x As/GaAs con un gas de electrones en dos dimensiones por medio de epitaxia de haces moleculares en tres laboratorios diferentes. Las muestras se caracterizaron por fotorreflectancia (FR) a temperatura ambiente y por mediciones del efecto mayor a 77 K. Campos electricos internos se detectaron por la presencia de oscilaciones Franz-Leldysh (FK) en los espectros de FR. Del analisis de las oscilaciones FK obtuvimos la energia de la brecha prohibida del GaAs y la intensidad del campo electrico interno en cada muestra. Por otra parte, en la region de energia correspondiente al Al{sub x} Ga{sub 1}-x As observamos una senal de FR ancha, tipica de un material altamente impurificado. Usando la teoria de la tercera derivada, obtuvimos el valor de la brecha de energia del Al{sub x}Ga{sub 1}-xAs, y de este valor la concentracion de Al en las muestras. Los resultados mostraron que la estructura con el valor de movilidad electronica mas alto tiene la intensidad de campo electrico interno mas baja.

  7. Cow-specific diet digestibility predictions based on near-infrared reflectance spectroscopy scans of faecal samples.

    Science.gov (United States)

    Mehtiö, T; Rinne, M; Nyholm, L; Mäntysaari, P; Sairanen, A; Mäntysaari, E A; Pitkänen, T; Lidauer, M H

    2016-04-01

    This study was designed to obtain information on prediction of diet digestibility from near-infrared reflectance spectroscopy (NIRS) scans of faecal spot samples from dairy cows at different stages of lactation and to develop a faecal sampling protocol. NIRS was used to predict diet organic matter digestibility (OMD) and indigestible neutral detergent fibre content (iNDF) from faecal samples, and dry matter digestibility (DMD) using iNDF in feed and faecal samples as an internal marker. Acid-insoluble ash (AIA) as an internal digestibility marker was used as a reference method to evaluate the reliability of NIRS predictions. Feed and composite faecal samples were collected from 44 cows at approximately 50, 150 and 250 days in milk (DIM). The estimated standard deviation for cow-specific organic matter digestibility analysed by AIA was 12.3 g/kg, which is small considering that the average was 724 g/kg. The phenotypic correlation between direct faecal OMD prediction by NIRS and OMD by AIA over the lactation was 0.51. The low repeatability and small variability estimates for direct OMD predictions by NIRS were not accurate enough to quantify small differences in OMD between cows. In contrast to OMD, the repeatability estimates for DMD by iNDF and especially for direct faecal iNDF predictions were 0.32 and 0.46, respectively, indicating that developing of NIRS predictions for cow-specific digestibility is possible. A data subset of 20 cows with daily individual faecal samples was used to develop an on-farm sampling protocol. Based on the assessment of correlations between individual sample combinations and composite samples as well as repeatability estimates for individual sample combinations, we found that collecting up to three individual samples yields a representative composite sample. Collection of samples from all the cows of a herd every third month might be a good choice, because it would yield a better accuracy. © 2015 Blackwell Verlag GmbH.

  8. Identification of hydrogen and deuterium at the surface of water ice by reflection electron energy loss spectroscopy

    International Nuclear Information System (INIS)

    Yubero, F.; Toekesi, K.

    2009-01-01

    Complete text of publication follows. The study of elastically backscattered electrons from surfaces by reflection electron energy loss spectroscopy (REELS) has been recently recommended as an alternative technique to quantify the H content at the surface of a-C:H and polymer samples. This analysis is based on the fact that the energy loss of the incident electrons due to the recoil effect depends on the atomic mass of the particular atom present at the surface. The observed difference in recoil energies between H and O atoms (about 2 eV for 1.5 keV primary electrons) can be easily measured with standard electron spectrometers used in surface analysis. In this paper we go one step forward to explore if, with the same experimental approach, it is possible to differentiate between hydrogen and deuterium (D) in the surface region of a sample. This capability could be important for technological fields such as surface functionalization, where it is desired to distinguish between H and D at surfaces after interaction with labeled compounds. We have chosen normal and deuterated water as test labeled compounds because this polar molecule is of key importance in numerous surface reactions. It has been shown that H and D can be easily distinguished at the surface of water ice [4] using standard REELS measurements with 1000 - 1650 eV primary-electron energies, i.e., a surface analytical technique. Differences in recoil energies of the O - H and O - D atom pairs present in H 2 O and D 2 O have been found to agree with MC simulations (see Fig.1). There are many possible applications of H and D detection by REELS. Among many others, this study opens the possibility of nondestructive studies of deuterium-labeled atoms present or adsorbed on surfaces. For example, studies of H incorporation into a polymer or carbonbased surface after plasma activation with gas mixtures with several labeled molecules containing H atoms. Acknowledgements F.Y. thanks the Spanish Ministry of Science

  9. Application of VNIR hyperspectral imaging for non-destructive prediction of pH, color, and drip loss of chicken breast fillets

    Science.gov (United States)

    Non-destructive and rapid prediction of quality attributes of chicken breast fillets using visible and near-infrared (VNIR) hyperspectral imaging (400-1000 nm) was carried out in this work. All hyperspectral images were acquired for bone (dorsal) side of chicken breast. A forward principal component...

  10. Comparison of conventional and total reflection excitation geometry for fluorescence X-ray absorption spectroscopy on droplet samples

    International Nuclear Information System (INIS)

    Falkenberg, G.; Pepponi, G.; Streli, C.; Wobrauschek, P.

    2003-01-01

    X-ray absorption fine structure (XAFS) experiments in fluorescence mode have been performed in total reflection excitation geometry and conventional 45 deg. /45 deg. excitation/detection geometry for comparison. The experimental results have shown that XAFS measurements are feasible under normal total reflection X-ray fluorescence (TXRF) conditions, i.e. on droplet samples, with excitation in grazing incidence and using a TXRF experimental chamber. The application of the total reflection excitation geometry for XAFS measurements increases the sensitivity compared to the conventional geometry leading to lower accessible concentration ranges. However, XAFS under total reflection excitation condition fails for highly concentrated samples because of the self-absorption effect

  11. Anti-reflection textured structures by wet etching and island lithography for surface-enhanced Raman spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Chao, Bo-Kai [Department of Materials Science and Engineering, National Taiwan University, Taipei 10617, Taiwan (China); Cheng, Hsin-Hung [Department of Marine Engineering, Taipei College of Maritime Technology, Taipei 11174, Taiwan (China); Nien, Li-Wei; Chen, Miin-Jang [Department of Materials Science and Engineering, National Taiwan University, Taipei 10617, Taiwan (China); Nagao, Tadaaki [Center for Materials Nanoarchitectonics, National Institute for Materials Science, Tsukuba, Ibaraki 305-0044 (Japan); Li, Jia-Han [Department of Engineering Science and Ocean Engineering, National Taiwan University, Taipei 10617, Taiwan (China); Hsueh, Chun-Hway, E-mail: hsuehc@ntu.edu.tw [Department of Materials Science and Engineering, National Taiwan University, Taipei 10617, Taiwan (China)

    2015-12-01

    Graphical abstract: - Highlights: • We fabricated textured SERS substrate with a high surface area and low reflectance. • Large surface area of substrate contains more gold nanodroplets to absorb analytes. • Low reflectance of textured SERS substrate enabled multiple reflections of incident laser light. • We obtained strong SERS enhancement from nanopillar-on-pyramid SERS substrate. - Abstract: A high surface area and low reflection textured surface-enhanced Raman scattering (SERS) substrate with plasmonic gold nanodroplets fabricated by wet etching and island lithography was reported in the present study. Specifically, four textured substrates, planar, pyramid, nanopillar, and nanopillar-on-pyramid, were fabricated. The fabricated structures were simulated using the finite-difference time-domain method and the results agreed with the reflection and dark-field scattering measurements. Although the SERS signals varied in different measured regions because of the random nanostructure, the SERS substrates with nanopillar-on-pyramid structure always have the stronger enhancement factor than the SERS substrates with only pyramids or nanopillars. Based on the atomic force microscope and reflection measurements, the nanopillar-on-pyramid structure provided a large surface area and multiple reflections for SERS enhancement, which was about 3 orders of magnitude larger than that of the planar substrate. Our results can be applied to fabricate the inexpensive, large surface area, and high SERS enhancement substrates.

  12. Assessment of Microcirculatory Hemoglobin Levels in Normal and Diabetic Subjects using Diffuse Reflectance Spectroscopy in the Visible Region — a Pilot Study

    Science.gov (United States)

    Sujatha, N.; Anand, B. S. Suresh; Nivetha, K. Bala; Narayanamurthy, V. B.; Seshadri, V.; Poddar, R.

    2015-07-01

    Light-based diagnostic techniques provide a minimally invasive way for selective biomarker estimation when tissues transform from a normal to a malignant state. Spectroscopic techniques based on diffuse reflectance characterize the changes in tissue hemoglobin/oxygenation levels during the tissue transformation process. Recent clinical investigations have shown that changes in tissue oxygenation and microcirculation are observed in diabetic subjects in the initial and progressive stages. In this pilot study, we discuss the potential of diffuse reflectance spectroscopy (DRS) in the visible (Vis) range to differentiate the skin microcirculatory hemoglobin levels between normal and advanced diabetic subjects with and without neuropathy. Average concentration of hemoglobin as well as hemoglobin oxygen saturation within the probed tissue volume is estimated for a total of four different sites in the foot sole. The results indicate a statistically significant decrease in average total hemoglobin and increase in hemoglobin oxygen saturation levels for diabetic foot compared with a normal foot. The present study demonstrates the ability of reflectance spectroscopy in the Vis range to determine and differentiate the changes in tissue hemoglobin and hemoglobin oxygen saturation levels in normal and diabetic subjects.

  13. Source Determination of Red Gel Pen Inks using Raman Spectroscopy and Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy combined with Pearson's Product Moment Correlation Coefficients and Principal Component Analysis.

    Science.gov (United States)

    Mohamad Asri, Muhammad Naeim; Mat Desa, Wan Nur Syuhaila; Ismail, Dzulkiflee

    2018-01-01

    The potential combination of two nondestructive techniques, that is, Raman spectroscopy (RS) and attenuated total reflectance-fourier transform infrared (ATR-FTIR) spectroscopy with Pearson's product moment correlation (PPMC) coefficient (r) and principal component analysis (PCA) to determine the actual source of red gel pen ink used to write a simulated threatening note, was examined. Eighteen (18) red gel pens purchased from Japan and Malaysia from November to December 2014 where one of the pens was used to write a simulated threatening note were analyzed using RS and ATR-FTIR spectroscopy, respectively. The spectra of all the red gel pen inks including the ink deposited on the simulated threatening note gathered from the RS and ATR-FTIR analyses were subjected to PPMC coefficient (r) calculation and principal component analysis (PCA). The coefficients r = 0.9985 and r = 0.9912 for pairwise combination of RS and ATR-FTIR spectra respectively and similarities in terms of PC1 and PC2 scores of one of the inks to the ink deposited on the simulated threatening note substantiated the feasibility of combining RS and ATR-FTIR spectroscopy with PPMC coefficient (r) and PCA for successful source determination of red gel pen inks. The development of pigment spectral library had allowed the ink deposited on the threatening note to be identified as XSL Poppy Red (CI Pigment Red 112). © 2017 American Academy of Forensic Sciences.

  14. First combined total reflection X-ray fluorescence and grazing incidence X-ray absorption spectroscopy characterization of aeolian dust archived in Antarctica and Alpine deep ice cores

    Energy Technology Data Exchange (ETDEWEB)

    Cibin, G. [Diamond Light Source, Harwell Science and Innovation Campus, Didcot, Oxon OX110DE (United Kingdom); IMONT/EIM, Ente Italiano della Montagna, P.za dei Caprettari 70, 00176 Roma (Italy); Universita' degli Studi di Roma Tre, Dipartimento di Scienze Geologiche, L.go S. Leonardo Murialdo 1, 00146 Roma (Italy)], E-mail: giannantonio.cibin@diamond.ac.uk; Marcelli, A. [INFN - Laboratori Nazionali di Frascati, P.O. Box 13, 00044 Frascati (Roma) (Italy); Maggi, V. [Universita degli Studi di Milano-Bicocca, Dipartimento di Scienze dell' Ambiente e del Territorio, Piazza della Scienza 1, 20126 Milano (Italy); Sala, M. [Universita degli Studi di Milano-Bicocca, Dipartimento di Scienze dell' Ambiente e del Territorio, Piazza della Scienza 1, 20126 Milano (Italy); Universita degli Studi di Milano, Dipartimento di Scienze della Terra ' A. Desio' , Sez. Mineralogia, Via Mangiagalli 34, 20133 Milano (Italy); Marino, F.; Delmonte, B. [Universita degli Studi di Milano-Bicocca, Dipartimento di Scienze dell' Ambiente e del Territorio, Piazza della Scienza 1, 20126 Milano (Italy); Albani, S. [Universita degli Studi di Milano-Bicocca, Dipartimento di Scienze dell' Ambiente e del Territorio, Piazza della Scienza 1, 20126 Milano (Italy); Universita degli Studi di Siena, Dottorato in Scienze Polari, via Laterina 8, 53100 Siena (Italy); Pignotti, S. [IMONT/EIM, Ente Italiano della Montagna, P.za dei Caprettari 70, 00176 Roma (Italy)

    2008-12-15

    Aeolian mineral dust archived in polar and mid latitude ice cores represents a precious proxy for assessing environmental and climatic variations at different timescales. In this respect, the identification of dust mineralogy plays a key role. In this work we performed the first preliminary X-ray absorption spectroscopy (XAS) experiments on mineral dust particles extracted from Antarctic and from Alpine firn cores using grazing incidence geometry at the Fe K-edge. A dedicated high vacuum experimental chamber was set up for normal-incidence and total-reflection X-Ray Fluorescence and Absorption Spectroscopy analyses on minor amounts of mineral materials at the Stanford Synchrotron Radiation Laboratory. Results show that this experimental technique and protocol allows recognizing iron inclusion mineral fraction on insoluble dust in the 1-10 {mu}g range.

  15. First combined total reflection X-ray fluorescence and grazing incidence X-ray absorption spectroscopy characterization of aeolian dust archived in Antarctica and Alpine deep ice cores

    International Nuclear Information System (INIS)

    Cibin, G.; Marcelli, A.; Maggi, V.; Sala, M.; Marino, F.; Delmonte, B.; Albani, S.; Pignotti, S.

    2008-01-01

    Aeolian mineral dust archived in polar and mid latitude ice cores represents a precious proxy for assessing environmental and climatic variations at different timescales. In this respect, the identification of dust mineralogy plays a key role. In this work we performed the first preliminary X-ray absorption spectroscopy (XAS) experiments on mineral dust particles extracted from Antarctic and from Alpine firn cores using grazing incidence geometry at the Fe K-edge. A dedicated high vacuum experimental chamber was set up for normal-incidence and total-reflection X-Ray Fluorescence and Absorption Spectroscopy analyses on minor amounts of mineral materials at the Stanford Synchrotron Radiation Laboratory. Results show that this experimental technique and protocol allows recognizing iron inclusion mineral fraction on insoluble dust in the 1-10 μg range

  16. Analysis of low concentration of free ferric oxides in clays by vis diffuse reflectance spectroscopy and voltammetry

    Czech Academy of Sciences Publication Activity Database

    Grygar, Tomáš; Dědeček, Jiří; Hradil, David

    2002-01-01

    Roč. 53, č. 2 (2002), s. 71-77 ISSN 0016-7738 R&D Projects: GA ČR GA205/00/1349 Institutional research plan: CEZ:AV0Z4032918 Keywords : voltammetry * Vis spectroscopy * analysis Subject RIV: CA - Inorganic Chemistry

  17. Skin carotenoids as biomarker for vegetable and fruit intake: Validation of the reflection-spectroscopy based “Veggie Meter”

    Science.gov (United States)

    Skin is a relatively stable storage medium for carotenoids; non-invasive optical measurements of carotenoids in this tissue via Resonance Raman spectroscopy (RRS) serve as a non-invasive biomarker for fruit and vegetable (F/V) intake. The RRS method has been validated with HPLC-based measurements of...

  18. Assessing Pearl Quality Using Reflectance UV-Vis Spectroscopy: Does the Same Donor Produce Consistent Pearl Quality?

    Directory of Open Access Journals (Sweden)

    Paul C. Southgate

    2010-09-01

    Full Text Available Two groups of commercial quality (“acceptable” pearls produced using two donors, and a group of “acceptable” pearls from other donors were analyzed using reflectance UV-Vis spectrophotometry. Three pearls with different colors produced by the same donor showed different absorption spectra. Cream and gold colored pearls showed a wide absorption from 320 to about 460 nm, while there was just slight reflectance around 400 nm by the white pearl with a pink overtone. Cream and gold pearls reached a reflectance peak at 560 to 590 nm, while the white pearl with pink overtone showed slightly wider absorption in this region. Both cream and gold pearls showed an absorption peak after the reflectance peak, at about 700 nm for the cream pearl and 750 nm for the gold pearl. Two other pearls produced by the same donor (white with cream overtone and cream with various overtones showed similar spectra, which differed in their intensity. One of these pearls had very high lustre and its spectrum showed a much higher percentage reflectance than the second pearl with inferior lustre. This result may indicate that reflectance is a useful quantitative indicator of pearl lustre. The spectra of two white pearls resulting from different donors with the same color nacre (silver showed a reflectance at 260 nm, followed by absorption at 280 nm and another reflectance peak at 340 nm. After this peak the spectra for these pearls remained flat until a slight absorption peak around 700 nm. Throughout the visible region, all white pearls used in this study showed similar reflectance spectra although there were differences in reflectance intensity. Unlike the spectral results from white pearls, the results from yellow and gold pearls varied according to color saturation of the pearl. The results of this study show that similarities between absorption and reflectance spectra of cultured pearls resulting from the same saibo donor are negligible and could not be detected

  19. Temperature dependence of the phonon structure in the high-temperature superconductor Bi2Sr2CaCu2O8 studied by infrared reflectance spectroscopy

    International Nuclear Information System (INIS)

    Kamaras, K.; Herr, S.L.; Porter, C.D.; Tanner, D.B.; Etemad, S.; Tarascon, J.

    1991-01-01

    We have investigated a ceramic sample of the high-temperature superconductor Bi 2 Sr 2 CaCu 2 O 8 (T c =85 K) by infrared and visible reflectance spectroscopy at several temperatures both below and above the superconducting transition. We find that the temperature variation in the vibrational region is associated with minima or antiresonance features of the optical conductivity, instead of maxima, indicating strong Fano-type electron-phonon interaction and implying that the phonon structure in the infrared is strongly affected by the ab-plane response

  20. Two gap superconductivity in Ba0.55K0.45Fe2As2 single crystals studied by the directional point-contact Andreev reflection spectroscopy

    International Nuclear Information System (INIS)

    Szabo, P.; Pribulova, Z.; Pristas, G.; Bud'ko, S.L.; Canfield, P.C.; Samuely, P.

    2009-01-01

    First directional point-contact Andreev reflection spectroscopy on the Ba 0.55 K 0.45 Fe 2 As 2 single crystals is presented. The spectra show significant differences when measured in the ab plane in comparison with those measured in the c direction. In the latter case no traces of superconducting energy gap could be found, just a reduced point-contact conductance persisting up to about 100 K and indicating reduced density of states. On the other hand within the ab plane two nodeless superconducting energy gaps Δ S ∼2-5 meV and Δ L ∼9-11 meV are detected.

  1. Use of total internal reflection Raman (TIR) and attenuated total reflection infrared (ATR-IR) spectroscopy to analyze component separation in thin offset ink films after setting on coated paper surfaces.

    Science.gov (United States)

    Kivioja, Antti; Hartus, Timo; Vuorinen, Tapani; Gane, Patrick; Jääskeläinen, Anna-Stiina

    2013-06-01

    The interactive behavior of ink constituents with porous substrates during and after the offset print process has an important effect on the quality of printed products. To help elucidate the distribution of ink components between the retained ink layer and the substrate, a variety of spectroscopic and microscopic analysis techniques have been developed. This paper describes for the first time the use of total internal reflection (TIR) Raman spectroscopy to analyze the penetration behavior of separated offset ink components (linseed oil, solid color pigment) in coated papers providing chemically intrinsic information rapidly, nondestructively, and with minimal sample preparation. In addition, the already widely applied technique of attenuated total reflection infrared spectroscopy (ATR-IR) was evaluated in parallel and compared. The results of the ATR-IR Raman clearly revealed an improvement in uppermost depth resolution compared with values previously published from other nondestructive techniques, and the method is shown to be capable of providing new knowledge of the setting of thin (0.25-2 μm) offset ink films, allowing the spreading and the penetration behavior on physically different paper coating surfaces to be studied.

  2. Development of a novel combined fluorescence and reflectance spectroscopy system for guiding high-grade glioma resections: confirmation of capability in lab experiments

    Science.gov (United States)

    Mousavi, Monirehalsadat; Xie, Haiyan; Xie, Zhiyuan; Brydegaard, Mikkel; Axelsson, Johan; Andersson-Engels, Stefan

    2013-11-01

    Total resection of glioblastoma multiform (GBM), the most common and aggressive malignant brain tumor, is challenging among other things due to difficulty in intraoperative discrimination between normal and residual tumor cells. This project demonstrates the potential of a system based on a combination of autofluorescence and diffuse reflectance spectroscopy to be useful as an intraoperative guiding tool. In this context, a system based on 5 LEDs coupled to optical fibers was employed to deliver UV/visible light to the sample sequentially. Remitted light from the tissue; including diffuse reflected and fluorescence of endogenous and exogenous fluorophores, as well as its photobleaching product, is transmitted to one photodiode and four avalanche photodiodes. This instrument has been evaluated with very promising results by performing various tissue-equivalent phantom laboratory and clinical studies on skin lesions.

  3. NUSTAR and Suzaku x-ray spectroscopy of NGC 4151: Evidence for reflection from the inner accretion disk

    Energy Technology Data Exchange (ETDEWEB)

    Keck, M. L.; Brenneman, L. W.; Ballantyne, D. R.; Bauer, F.; Boggs, S. E.; Christensen, F. E.; Craig, W. W.; Dauser, T.; Elvis, M.; Fabian, A. C.; Fuerst, F.; García, J.; Grefenstette, B. W.; Hailey, C. J.; Harrison, F. A.; Madejski, G.; Marinucci, A.; Matt, G.; Reynolds, C. S.; Stern, D.; Walton, D. J.; Zoghbi, A.

    2015-06-15

    We present X-ray timing and spectral analyses of simultaneous 150 ks Nuclear Spectroscopic Telescope Array (NuSTAR) and Suzaku X-ray observations of the Seyfert 1.5 galaxy NGC 4151. We disentangle the continuum emission, absorption, and reflection properties of the active galactic nucleus (AGN) by applying inner accretion disk reflection and absorption-dominated models. With a time-averaged spectral analysis, we find strong evidence for relativistic reflection from the inner accretion disk. We find that relativistic emission arises from a highly ionized inner accretion disk with a steep emissivity profile, which suggests an intense, compact illuminating source. We find a preliminary, near-maximal black hole spin $a\\gt 0.9$ accounting for statistical and systematic modeling errors. We find a relatively moderate reflection fraction with respect to predictions for the lamp post geometry, in which the illuminating corona is modeled as a point source. Through a time-resolved spectral analysis, we find that modest coronal and inner disk reflection (IDR) flux variation drives the spectral variability during the observations. We discuss various physical scenarios for the IDR model and we find that a compact corona is consistent with the observed features.

  4. Polar phonons in β-Ga2O3 studied by IR reflectance spectroscopy and first-principle calculations

    Science.gov (United States)

    Azuhata, Takashi; Shimada, Kazuhiro

    2017-08-01

    IR reflectance spectra of β-Ga2O3 are measured in the range from 400 to 1100 cm-1 using the (\\bar{2}01) and (010) planes for pure transverse Au- and Bu-mode phonons, respectively. The spectra measured using the (010) plane depend remarkably on the polarization direction of the incident light because of the monoclinic symmetry. Reflectance spectra simulated using parameters obtained from first-principle calculations are in good agreement with the experimental spectra. By adjusting the calculated phonon parameters so as to reproduce the experimental spectra, the polar phonon parameters were determined for six modes above 400 cm-1.

  5. Searching for reflected light from τ Bootis b with high-resolution ground-based spectroscopy: Approaching the 10-5 contrast barrier

    Science.gov (United States)

    Hoeijmakers, H. J.; Snellen, I. A. G.; van Terwisga, S. E.

    2018-02-01

    Context. It is challenging to measure the starlight reflected from exoplanets because of the extreme contrast with their host stars. For hot Jupiters, this contrast is in the range of 10-6 to 10-4, depending on their albedo, radius and orbital distance. Searches for reflected light have been performed since the first hot Jupiters were discovered, but with very limited success because hot Jupiters tend to have low albedo values due to the general absence of reflective cloud decks. Aim. The aim of this study is to search for reflected light from τ Boo b, a hot Jupiter with one of the brightest host stars. Since its discovery in 1997, it has been the subject of several reflected-light searches using high-dispersion spectroscopy. Here we aim to combine these data in to a single meta-analysis. Methods: We analysed more than 2000 archival high-dispersion spectra obtained with the UVES, ESPaDOnS, NARVAL UES and HARPS-N spectrographs during various epochs between 1998 and 2013. Each spectrum was first cleaned of the stellar spectrum and subsequently cross-correlated with a PHOENIX model spectrum. These were then Doppler shifted to the planet rest-frame and co-added in time, weighted according to the expected signal-to-noise of the planet signal. Results: We reach a 3σ upper limit of the planet-to-star contrast of 1.5 × 10-5. Assuming a planet radius of 1.15 RJ, this corresponds to an optical albedo of between 400-700 nm. A low albedo is in line with secondary eclipse and phase curve observations of other hot Jupiters using space-based observatories, as well as theoretical predictions of their reflective properties.

  6. 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,...

  7. A simple, sensitive and non-destructive technique for characterizing bovine dental enamel erosion: attenuated total reflection Fourier transform infrared spectroscopy.

    Science.gov (United States)

    Kim, In-Hye; Son, Jun Sik; Min, Bong Ki; Kim, Young Kyoung; Kim, Kyo-Han; Kwon, Tae-Yub

    2016-03-30

    Although many techniques are available to assess enamel erosion in vitro, a simple, non-destructive method with sufficient sensitivity for quantifying dental erosion is required. This study characterized the bovine dental enamel erosion induced by various acidic beverages in vitro using attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy. Deionized water (control) and 10 acidic beverages were selected to study erosion, and the pH and neutralizable acidity were measured. Bovine anterior teeth (110) were polished with up to 1 200-grit silicon carbide paper to produce flat enamel surfaces, which were then immersed in 20 mL of the beverages for 30 min at 37 °C. The degree of erosion was evaluated using ATR-FTIR spectroscopy and Vickers' microhardness measurements. The spectra obtained were interpreted in two ways that focused on the ν1, ν3 phosphate contour: the ratio of the height amplitude of ν3 PO4 to that of ν1 PO4 (Method 1) and the shift of the ν3 PO4 peak to a higher wavenumber (Method 2). The percentage changes in microhardness after the erosion treatments were primarily affected by the pH of the immersion media. Regression analyses revealed highly significant correlations between the surface hardness change and the degree of erosion, as detected by ATR-FTIR spectroscopy (Perosion.

  8. Potential and limitation of mid-infrared attenuated total reflectance spectroscopy for real time analysis of raw milk in milking lines.

    Science.gov (United States)

    Linker, Raphael; Etzion, Yael

    2009-02-01

    Real-time information about milk composition would be very useful for managing the milking process. Mid-infrared spectroscopy, which relies on fundamental modes of molecular vibrations, is routinely used for off-line analysis of milk and the purpose of the present study was to investigate the potential of attenuated total reflectance mid-infrared spectroscopy for real-time analysis of milk in milking lines. The study was conducted with 189 samples from over 70 cows that were collected during an 18 months period. Principal component analysis, wavelets and neural networks were used to develop various models for predicting protein and fat concentration. Although reasonable protein models were obtained for some seasonal sub-datasets (determination errors protein), the models lacked robustness and it was not possible to develop a model suitable for all the data. Determination of fat concentration proved even more problematic and the determination errors remained unacceptably large regardless of the sub-dataset analyzed or of the spectral intervals used. These poor results can be explained by the limited penetration depth of the mid-infrared radiation that causes the spectra to be very sensitive to the presence of fat globules or fat biofilms in the boundary layer that forms at the interface between the milk and the crystal that serves both as radiation waveguide and sensing element. Since manipulations such as homogenisation are not permissible for in-line analysis, these results show that the potential of mid-infrared attenuated total reflectance spectroscopy for in-line milk analysis is indeed quite limited.

  9. Detection of Soluble and Fixed NH4+ in Clay Minerals by DTA and IR Reflectance Spectroscopy : A Potential Tool for Planetary Surface Exploration

    Science.gov (United States)

    Janice, Bishop; Banin, A.; Mancinelli, R. L.; Klovstad, M. R.; DeVincenzi, Donald L. (Technical Monitor)

    2001-01-01

    Nitrogen is an essential element for life. It is the only element among the six major biogenic elements, C, O, S, O, P, H, whose presence in the Martian soil has not been positively and directly established. We describe here a study assessing the ability to detect NH4 in soils by two methods: differential thermal analysis (DTA) and infrared (IR) reflectance spectroscopy. Four standard clay minerals (kaolinite, montmorillonite, illite and attapulgite) and an altered tephra sample from Mauna Kea were treated with NH4 in this study. Samples of the NH4-treated and leached clays were analyzed by DTA and infrared (IR) reflectance spectroscopy to quantify the delectability of soluble and sorbed/fixed NH4. An exotherm at 270-280 C was clearly detected in the DTA curves of NH4-treated (non-leached) samples. This feature is assigned to the thermal decomposition reaction of NH4. Spectral bands observed at 1.56, 2.05, 2.12, 3.06, 3.3, 3.5, 5.7 and 7.0 microns in the reflectance spectra of NH4-treated and leached samples are assigned to the sorbed/fixed ammonium in the clays. The montmorillonite has shown the most intense absorbance due to fixed ammonium among the leached samples in this study, as a result of its high cation sorption capacity. It is concluded that the presence of sorbed or fixed NH4 in clays may be detected by infrared (IR) reflectance or emission spectroscopy. Distinction between soluble and sorbed NH4 may be achieved through the presence or absence of several spectral features assigned to the sorbed NH4 moietyi and, specifically, by use of the 4.2 micrometer feature assigned to solution NH4. Thermal analyses furnish supporting evidence of ammonia in our study through detection of N released at temperatures of 270-330 C. Based on these results it is estimated that IR spectra measured from a rover should be able to detect ammonia if present above 20 mg NH4/g sample in the surface layers. Orbital IR spectra and thermal analyses measured on a rover may be able to

  10. Application of portable XRF and VNIR sensors for rapid assessment of soil heavy metal pollution

    OpenAIRE

    Hu, Bifeng; Chen, Songchao; Hu, Jie; Xia, Fang; Xu, Junfeng; Li, Yan; Shi, Zhou

    2017-01-01

    Rapid heavy metal soil surveys at large scale with high sampling density could not be conducted with traditional laboratory physical and chemical analyses because of the high cost, low efficiency and heavy workload involved. This study explored a rapid approach to assess heavy metals contamination in 301 farmland soils from Fuyang in Zhejiang Province, in the southern Yangtze River Delta, China, using portable proximal soil sensors. Portable X-ray fluorescence spectroscopy (PXRF) was used to ...

  11. Determination of blood oxygenation in the brain by time-resolved reflectance spectroscopy: influence of the skin, skull, and meninges

    Science.gov (United States)

    Hielscher, Andreas H.; Liu, Hanli; Wang, Lihong; Tittel, Frank K.; Chance, Britton; Jacques, Steven L.

    1994-07-01

    Near infrared light has been used for the determination of blood oxygenation in the brain but little attention has been paid to the fact that the states of blood oxygenation in arteries, veins, and capillaries differ substantially. In this study, Monte Carlo simulations for a heterogeneous system were conducted, and near infrared time-resolved reflectance measurements were performed on a heterogeneous tissue phantom model. The model was made of a solid polyester resin, which simulates the tissue background. A network of tubes was distributed uniformly through the resin to simulate the blood vessels. The time-resolved reflectance spectra were taken with different absorbing solutions filled in the network. Based on the simulation and experimental results, we investigated the dependence of the absorption coefficient obtained from the heterogeneous system on the absorption of the actual absorbing solution filled in the tubes. We show that light absorption by the brain should result from the combination of blood and blood-free tissue background.

  12. Analysis of petroleum-contaminated soils by diffuse reflectance spectroscopy and sequential ultrasonic solvent extraction–gas chromatography

    International Nuclear Information System (INIS)

    Okparanma, Reuben N.; Coulon, Frederic; Mouazen, Abdul M.

    2014-01-01

    In this study, we demonstrate that partial least-squares regression analysis with full cross-validation of spectral reflectance data estimates the amount of polycyclic aromatic hydrocarbons in petroleum-contaminated tropical rainforest soils. We applied the approach to 137 field-moist intact soil samples collected from three oil spill sites in Ogoniland in the Niger Delta province (5.317°N, 6.467°E), Nigeria. We used sequential ultrasonic solvent extraction–gas chromatography as the reference chemical method. We took soil diffuse reflectance spectra with a mobile fibre-optic visible and near-infrared spectrophotometer (350–2500 nm). Independent validation of combined data from studied sites showed reasonable prediction precision (root-mean-square error of prediction = 1.16–1.95 mg kg −1 , ratio of prediction deviation = 1.86–3.12, and validation r 2 = 0.77–0.89). This suggests that the methodology may be useful for rapid assessment of the spatial variability of polycyclic aromatic hydrocarbons in petroleum-contaminated soils in the Niger Delta to inform risk assessment and remediation. -- Highlights: • We model NIR diffuse reflectance spectra for PAH prediction in contaminated soils. • Soil diffuse reflectance decreases with increasing PAH concentration. • Mechanism of prediction relies on co-variation of PAH with other soil properties. • Positions of important wavelengths are largely similar for studied sites. • Positive regression coefficients around 1647 nm show a link to PAH. -- This approach may be used to collect large spatial data at reduced cost and time to assess the variability of polycyclic aromatic hydrocarbons in petroleum release sites

  13. Measurement of sugar content of watermelon using near-infrared reflectance spectroscopy in comparison with dielectric property

    Science.gov (United States)

    Tao, Xuemei; Bao, Yidan

    2006-09-01

    The sugar content of watermelon is important to its taste thus influences the market. It's difficult to know whether the melon is sweet or not for consumers. We tried to develop a convenient meter to determine the sugar of watermelon. The first objective of this paper was to demonstrate the feasibility of using a near-infrared reflectance spectrometer (NIRS) to investigate the relationship between sugar content of watermelon and absorption spectra. The NIRS reflectance of nondestructive watermelon was measured with a Visible/NIR spectrophotometer in 325-1075nm range. The sugar content of watermelon was obtained with a handhold sugar content meter. The second objective was to measure the watermelon's dielectric property, such as dielectric resistance, capacitance, quality factor and dielectric loss. A digital electric bridge instrument was used to get the dielectric property. The experimental results show that they were related to watermelon's sugar content. A comparison between the two methods was made in the paper. The model derived from NIRS reflection is useful for class identification of Zaochun Hongyu watermelon though it's not quite accurate in sweetness prediction (the max. deviation is 0.7). Electric property bears little relation to sugar content of watermelon at this experiment and it couldn't be used as non-destructive inspection method.

  14. ON ESTIMATING THE HIGH-ENERGY CUTOFF IN THE X-RAY SPECTRA OF BLACK HOLES VIA REFLECTION SPECTROSCOPY

    Energy Technology Data Exchange (ETDEWEB)

    García, Javier A.; Steiner, James F.; McClintock, Jeffrey E.; Keck, Mason L. [Harvard-Smithsonian Center for Astrophysics, 60 Garden St., Cambridge, MA 02138 (United States); Dauser, Thomas; Wilms, Jörn, E-mail: javier@head.cfa.harvard.edu, E-mail: jem@cfa.harvard.edu, E-mail: jsteiner@head.cfa.harvard.edu, E-mail: keckm@bu.edu, E-mail: thomas.dauser@sternwarte.uni-erlangen.de [Dr. Karl Remeis-Observatory and Erlangen Centre for Astroparticle Physics, Sternwartstr. 7, D-96049 Bamberg (Germany)

    2015-08-01

    The fundamental parameters describing the coronal spectrum of an accreting black hole are the slope Γ of the power-law continuum and the energy E{sub cut} at which it rolls over. Remarkably, this latter parameter can be accurately measured for values as high as 1 MeV by modeling the spectrum of X-rays reflected from a black hole accretion disk at energies below 100 keV. This is possible because the details in the reflection spectrum, rich in fluorescent lines and other atomic features, are very sensitive to the spectral shape of the hardest coronal radiation illuminating the disk. We show that by fitting simultaneous NuSTAR (3–79 keV) and low-energy (e.g., Suzaku) data with the most recent version of our reflection model relxill one can obtain reasonable constraints on E{sub cut} at energies from tens of keV up to 1 MeV, for a source as faint as 1 mCrab in a 100 ks observation.

  15. FTIR spectroscopy and reflectance of modern charcoals and fungal decayed woods: implications for studies of inertinite in coals

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Y.; Bustin, R.M. [University of British Columbia, Vancouver, BC (Canada). Dept. of Earth and Ocean Sciences

    1998-09-01

    The chemical and physical characteristics of laboratory produced charcoals, natural charcoals, fungal decayed woods and inertinite from a variety of Western Canadian coals were investigated using FTIR and standard petrologic techniques. The studies confirm and extend earlier work in showing that almost all inertinite macerals can be attributed to wildfire in peat swamps, and that variation in the petrological characteristics of inertinite are a product of temperature, duration of heating and the nature of the initial plant material. The relationships between reflectance and temperature, as well as heating duration of charcoal formation are established as a reference for the examination of inertinite, and the probable temperature of inertinite precursor (fossil charcoal) formation in paleo-widlfire. Fungi do not directly contribute to the formation of charcoal and inertinite apart from the fungal bodies themselves (funginite: sclerotia and hyphae) and perhaps by increasing the extent of shrinkage and cracking (increasing surface area) of the plant materials and thus susceptibility to charring. Evidence of fungal activity progressively decreases with increasing degree of charing in response to duration of heating or increased charing temperature. The reflectance values and FTIR spectral characteristics of inertinites in Western Canadian coal suggest that most inertinite formed by wildfires at temperatures over 400{degree}C. The great abundance of semifusinite in Western Canadian coal may reflect frequent but short duration wildfires in precursor peat swamps. 44 refs., 16 figs., 6 tabs.

  16. Rapid determination of carbohydrates, ash, and extractives contents of straw using attenuated total reflectance fourier transform mid-infrared spectroscopy.

    Science.gov (United States)

    Tamaki, Yukihiro; Mazza, Giuseppe

    2011-06-22

    Analysis of the chemical components of lignocellulosic biomass is essential to understanding its potential for utilization. Mid-infrared spectroscopy and partial least-squares regression were used for rapid measurement of the carbohydrate (total glycans; glucan; xylan; galactan; arabinan; mannan), ash, and extractives content of triticale and wheat straws. Calibration models for total glycans, glucan, and extractives showed good and excellent predictive performance on the basis of slope, r², RPD, and R/SEP criteria. The xylan model showed good and acceptable predictive performance. However, the ash model was evaluated as providing only approximate quantification and screening. The models for galactan, arabinan, and mannan indicated poor and insufficient prediction for application. Most models could predict both triticale and wheat straw samples with the same degree of accuracy. Mid-infrared spectroscopic techniques coupled with partial least-squares regression can be used for rapid prediction of total glycans, glucan, xylan, and extractives in triticale and wheat straw samples.

  17. SHARPENDING OF THE VNIR AND SWIR BANDS OF THE WIDE BAND SPECTRAL IMAGER ONBOARD TIANGONG-II IMAGERY USING THE SELECTED BANDS

    Directory of Open Access Journals (Sweden)

    Q. Liu

    2018-04-01

    Full Text Available The Tiangong-II space lab was launched at the Jiuquan Satellite Launch Center of China on September 15, 2016. The Wide Band Spectral Imager (WBSI onboard the Tiangong-II has 14 visible and near-infrared (VNIR spectral bands covering the range from 403–990 nm and two shortwave infrared (SWIR bands covering the range from 1230–1250 nm and 1628–1652 nm respectively. In this paper the selected bands are proposed which aims at considering the closest spectral similarities between the VNIR with 100 m spatial resolution and SWIR bands with 200 m spatial resolution. The evaluation of Gram-Schmidt transform (GS sharpening techniques embedded in ENVI software is presented based on four types of the different low resolution pan band. The experimental results indicated that the VNIR band with higher CC value with the raw SWIR Band was selected, more texture information was injected the corresponding sharpened SWIR band image, and at that time another sharpened SWIR band image preserve the similar spectral and texture characteristics to the raw SWIR band image.

  18. Design and fabrication of a real-time measurement system for the capsaicinoid content of Korean red pepper (Capsicum annuum L.) powder by visible and near-infrared spectroscopy

    Science.gov (United States)

    This research aims to design and fabricate a system to measure the capsaicinoid content of red pepper powder in a non-destructive and rapid method through visible and near infrared spectroscopy (VNIR). The developed system scans a well-leveled powder surface continuously to minimize the influence of...

  19. Living Matter Observations with a Novel Hyperspectral Supercontinuum Confocal Microscope for VIS to Near-IR Reflectance Spectroscopy

    Directory of Open Access Journals (Sweden)

    Francesca R. Bertani

    2013-10-01

    Full Text Available A broad range hyper-spectroscopic microscope fed by a supercontinuum laser source and equipped with an almost achromatic optical layout is illustrated with detailed explanations of the design, implementation and data. The real novelty of this instrument, a confocal spectroscopic microscope capable of recording high resolution reflectance data in the VIS-IR spectral range from about 500 nm to 2.5 μm wavelengths, is the possibility of acquiring spectral data at every physical point as defined by lateral coordinates, X and Y, as well as at a depth coordinate, Z, as obtained by the confocal optical sectioning advantage. With this apparatus we collect each single scanning point as a whole spectrum by combining two linear spectral detector arrays, one CCD for the visible range, and one InGaAs infrared array, simultaneously available at the sensor output channel of the home made instrument. This microscope has been developed for biomedical analysis of human skin and other similar applications. Results are shown illustrating the technical performances of the instrument and the capability in extracting information about the composition and the structure of different parts or compartments in biological samples as well as in solid statematter. A complete spectroscopic fingerprinting of samples at microscopic level is shown possible by using statistical analysis on raw data or analytical reflectance models based on Abelés matrix transfer methods.

  20. Application of portable XRF and VNIR sensors for rapid assessment of soil heavy metal pollution.

    Science.gov (United States)

    Hu, Bifeng; Chen, Songchao; Hu, Jie; Xia, Fang; Xu, Junfeng; Li, Yan; Shi, Zhou

    2017-01-01

    Rapid heavy metal soil surveys at large scale with high sampling density could not be conducted with traditional laboratory physical and chemical analyses because of the high cost, low efficiency and heavy workload involved. This study explored a rapid approach to assess heavy metals contamination in 301 farmland soils from Fuyang in Zhejiang Province, in the southern Yangtze River Delta, China, using portable proximal soil sensors. Portable X-ray fluorescence spectroscopy (PXRF) was used to determine soil heavy metals total concentrations while soil pH was predicted by portable visible-near infrared spectroscopy (PVNIR). Zn, Cu and Pb were successfully predicted by PXRF (R2 >0.90 and RPD >2.50) while As and Ni were predicted with less accuracy (R2 heavy metals contamination grades in farmland soils was conducted based on previous results; the Kappa coefficient was 0.87, which showed that the combination of PXRF and PVNIR was an effective and rapid method to determine the degree of pollution with soil heavy metals. This study provides a new approach to assess soil heavy metals pollution; this method will facilitate large-scale surveys of soil heavy metal pollution.

  1. Application of portable XRF and VNIR sensors for rapid assessment of soil heavy metal pollution

    Science.gov (United States)

    Hu, Bifeng; Chen, Songchao; Hu, Jie; Xia, Fang; Xu, Junfeng; Li, Yan; Shi, Zhou

    2017-01-01

    Rapid heavy metal soil surveys at large scale with high sampling density could not be conducted with traditional laboratory physical and chemical analyses because of the high cost, low efficiency and heavy workload involved. This study explored a rapid approach to assess heavy metals contamination in 301 farmland soils from Fuyang in Zhejiang Province, in the southern Yangtze River Delta, China, using portable proximal soil sensors. Portable X-ray fluorescence spectroscopy (PXRF) was used to determine soil heavy metals total concentrations while soil pH was predicted by portable visible-near infrared spectroscopy (PVNIR). Zn, Cu and Pb were successfully predicted by PXRF (R2 >0.90 and RPD >2.50) while As and Ni were predicted with less accuracy (R2 heavy metals contamination grades in farmland soils was conducted based on previous results; the Kappa coefficient was 0.87, which showed that the combination of PXRF and PVNIR was an effective and rapid method to determine the degree of pollution with soil heavy metals. This study provides a new approach to assess soil heavy metals pollution; this method will facilitate large-scale surveys of soil heavy metal pollution. PMID:28234944

  2. Modeling and Mapping of Soil Salinity with Reflectance Spectroscopy and Landsat Data Using Two Quantitative Methods (PLSR and MARS

    Directory of Open Access Journals (Sweden)

    Said Nawar

    2014-11-01

    Full Text Available The monitoring of soil salinity levels is necessary for the prevention and mitigation of land degradation in arid environments. To assess the potential of remote sensing in estimating and mapping soil salinity in the El-Tina Plain, Sinai, Egypt, two predictive models were constructed based on the measured soil electrical conductivity (ECe and laboratory soil reflectance spectra resampled to Landsat sensor’s resolution. The models used were partial least squares regression (PLSR and multivariate adaptive regression splines (MARS. The results indicated that a good prediction of the soil salinity can be made based on the MARS model (R2 = 0.73, RMSE = 6.53, and ratio of performance to deviation (RPD = 1.96, which performed better than the PLSR model (R2 = 0.70, RMSE = 6.95, and RPD = 1.82. The models were subsequently applied on a pixel-by-pixel basis to the reflectance values derived from two Landsat images (2006 and 2012 to generate quantitative maps of the soil salinity. The resulting maps were validated successfully for 37 and 26 sampling points for 2006 and 2012, respectively, with R2 = 0.72 and 0.74 for 2006 and 2012, respectively, for the MARS model, and R2 = 0.71 and 0.73 for 2006 and 2012, respectively, for the PLSR model. The results indicated that MARS is a more suitable technique than PLSR for the estimation and mapping of soil salinity, especially in areas with high levels of salinity. The method developed in this paper can be used for other satellite data, like those provided by Landsat 8, and can be applied in other arid and semi-arid environments.

  3. Multivariate analysis of nystatin and metronidazole in a semi-solid matrix by means of diffuse reflectance NIR spectroscopy and PLS regression.

    Science.gov (United States)

    Baratieri, Sabrina C; Barbosa, Juliana M; Freitas, Matheus P; Martins, José A

    2006-01-23

    A multivariate method of analysis of nystatin and metronidazole in a semi-solid matrix, based on diffuse reflectance NIR measurements and partial least squares regression, is reported. The product, a vaginal cream used in the antifungal and antibacterial treatment, is usually, quantitatively analyzed through microbiological tests (nystatin) and HPLC technique (metronidazole), according to pharmacopeial procedures. However, near infrared spectroscopy has demonstrated to be a valuable tool for content determination, given the rapidity and scope of the method. In the present study, it was successfully applied in the prediction of nystatin (even in low concentrations, ca. 0.3-0.4%, w/w, which is around 100,000 IU/5g) and metronidazole contents, as demonstrated by some figures of merit, namely linearity, precision (mean and repeatability) and accuracy.

  4. Classification of pumpkin seed oils according to their species and genetic variety by attenuated total reflection Fourier-transform infrared spectroscopy.

    Science.gov (United States)

    Saucedo-Hernández, Yanelis; Lerma-García, María Jesús; Herrero-Martínez, José Manuel; Ramis-Ramos, Guillermo; Jorge-Rodríguez, Elisa; Simí-Alfonso, Ernesto F

    2011-04-27

    Attenuated total reflection Fourier-transform infrared spectroscopy (ATR-FTIR), followed by multivariate treatment of the spectral data, was used to classify seed oils of the genus Cucurbita (pumpkins) according to their species as C. maxima, C. pepo, and C. moschata. Also, C. moschata seed oils were classified according to their genetic variety as RG, Inivit C-88, and Inivit C-2000. Up to 23 wavelength regions were selected on the spectra, each region corresponding to a peak or shoulder. The normalized absorbance peak areas within these regions were used as predictors. Using linear discriminant analysis (LDA), an excellent resolution among all categories concerning both Cucurbita species and C. moschata varieties was achieved. The proposed method was straightforward and quick and can be easily implemented. Quality control of pumpkin seed oils is important because Cucurbita species and genetic variety are both related to the pharmaceutical properties of the oils.

  5. Gas sensing properties and in situ diffuse reflectance infrared Fourier transform spectroscopy study of trichloroethylene adsorption and reactions on SnO2 films

    Science.gov (United States)

    Zhang, Zhenxin; Huang, Kaijin; Yuan, Fangli; Xie, Changsheng

    2014-05-01

    The detection of trichloroethylene has attracted much attention because it has an important effect on human health. The sensitivity of the SnO2 flat-type coplanar gas sensor arrays to 100 ppm trichloroethylene in air was investigated. The adsorption and surface reactions of trichloroethylene were investigated at 100-200 °C by in-situ diffuse reflection Fourier transform infrared spectroscopy (DIRFTS) on SnO2 films. Molecularly adsorbed trichloroethylene, dichloroacetyl chloride (DCAC), phosgene, HCl, CO, H2O, CHCl3, Cl2 and CO2 surface species are formed during trichloroethylene adsorption at 100-200 °C. A possible mechanism of the reaction process is discussed.

  6. CO 2 Capture Capacity and Swelling Measurements of Liquid-like Nanoparticle Organic Hybrid Materials via Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy

    KAUST Repository

    Park, Youngjune

    2012-01-12

    Novel nanoparticle organic hybrid materials (NOHMs), which are comprised of organic oligomers or polymers tethered to an inorganic nanosized cores of various sizes, have been synthesized, and their solvating property for CO 2 was investigated using attenuated total reflectance (ATR) Fourier transform infrared (FT-IR) spectroscopy. Simultaneous measurements of CO 2 capture capacity and swelling behaviors of polyetheramine (Jeffamine M-2070) and its corresponding NOHMs (NOHM-I-PE2070) were reported at temperatures of (298, 308, 323 and 353) K and CO 2 pressure conditions ranging from (0 to 5.5) MPa. The polymeric canopy, or polymer bound to the nanoparticle surface, showed significantly less swelling behavior with enhanced or comparable CO 2 capture capacity compared to pure unbound polyetheramine. © 2011 American Chemical Society.

  7. Portable ultrahigh-vacuum sample storage system for polarization-dependent total-reflection fluorescence x-ray absorption fine structure spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Watanabe, Yoshihide, E-mail: e0827@mosk.tytlabs.co.jp; Nishimura, Yusaku F.; Suzuki, Ryo; Beniya, Atsushi; Isomura, Noritake [Toyota Central R& D Labs., Inc., Yokomichi 41-1, Nagakute, Aichi 480-1192 (Japan); Uehara, Hiromitsu; Asakura, Kiyotaka; Takakusagi, Satoru [Catalysis Research Center, Hokkaido University, Kita 21-10, Sapporo, Hokkaido 001-0021 (Japan); Nimura, Tomoyuki [AVC Co., Ltd., Inada 1450-6, Hitachinaka, Ibaraki 312-0061 (Japan)

    2016-03-15

    A portable ultrahigh-vacuum sample storage system was designed and built to investigate the detailed geometric structures of mass-selected metal clusters on oxide substrates by polarization-dependent total-reflection fluorescence x-ray absorption fine structure spectroscopy (PTRF-XAFS). This ultrahigh-vacuum (UHV) sample storage system provides the handover of samples between two different sample manipulating systems. The sample storage system is adaptable for public transportation, facilitating experiments using air-sensitive samples in synchrotron radiation or other quantum beam facilities. The samples were transferred by the developed portable UHV transfer system via a public transportation at a distance over 400 km. The performance of the transfer system was demonstrated by a successful PTRF-XAFS study of Pt{sub 4} clusters deposited on a TiO{sub 2}(110) surface.

  8. Fourier transform infrared-attenuated total reflectance (FTIR-ATR spectroscopy and chemometric techniques for the determination of adulteration in petrodiesel/biodiesel blends

    Directory of Open Access Journals (Sweden)

    Armando Guerrero Peña

    2014-06-01

    Full Text Available We propose an analytical method based on fourier transform infrared-attenuated total reflectance (FTIR-ATR spectroscopy to detect the adulteration of petrodiesel and petrodiesel/palm biodiesel blends with African crude palm oil. The infrared spectral fingerprints from the sample analysis were used to perform principal components analysis (PCA and to construct a prediction model using partial least squares (PLS regression. The PCA results separated the samples into three groups, allowing identification of those subjected to adulteration with palm oil. The obtained model shows a good predictive capacity for determining the concentration of palm oil in petrodiesel/biodiesel blends. Advantages of the proposed method include cost-effectiveness and speed; it is also environmentally friendly.

  9. Rapid determination of free fatty acid content in waste deodorizer distillates using single bounce-attenuated total reflectance-FTIR spectroscopy.

    Science.gov (United States)

    Naz, Saba; Sherazi, Sayed Tufail Hussain; Talpur, Farah N; Mahesar, Sarfaraz A; Kara, Huseyin

    2012-01-01

    A simple, rapid, economical, and environmentally friendly analytical method was developed for the quantitative assessment of free fatty acids (FFAs) present in deodorizer distillates and crude oils by single bounce-attenuated total reflectance-FTIR spectroscopy. Partial least squares was applied for the calibration model based on the peak region of the carbonyl group (C=O) from 1726 to 1664 cm(-1) associated with the FFAs. The proposed method totally avoided the use of organic solvents or costly standards and could be applied easily in the oil processing industry. The accuracy of the method was checked by comparison to a conventional standard American Oil Chemists' Society (AOCS) titrimetric procedure, which provided good correlation (R = 0.99980), with an SD of +/- 0.05%. Therefore, the proposed method could be used as an alternate to the AOCS titrimetric method for the quantitative determination of FFAs especially in deodorizer distillates.

  10. Investigation on H-containing shallow trap of hydrogenated TiO2 with in situ Fourier transform infrared diffuse reflection spectroscopy.

    Science.gov (United States)

    Han, Bing; Hang Hu, Yun

    2017-07-28

    A novel technique, high temperature high pressure in situ Fourier transform infrared diffuse reflection spectroscopy, was successfully used to investigate the formation and stability of shallow trap states in P25 TiO 2 nanoparticles. Two types of shallow traps (with and without H atoms) were identified. The H-containing shallow trap can be easily generated by heating in H 2 atmosphere. However, the trap is unstable in vacuum at 600 °C. In contrast, the H-free shallow trap, which can be formed by heating in vacuum, is stable even at 600 °C. The energy gaps between shallow trap states and the conduction band are 0.09 eV for H-containing shallow trap and 0.13 eV for H-free shallow trap, indicating that the H-containing shallow trap state is closer to the conduction band than that without H.

  11. Correction of fluorescence for depth-specific optical and vascular properties using reflectance and differential path-length spectroscopy during PDT

    Science.gov (United States)

    van Zaane, F.; Middelburg, T. A.; de Bruijn, H. S.; van der Ploeg-van den Heuvel, A.; de Haas, E. R. M.; Sterenborg, H. J. C. M.; Neumann, H. A. M.; Robinson, D. J.

    2009-06-01

    Introduction: The rate of PpIX fluorescence photobleaching is routinely used as a dose metric for ALA-PDT. Diffuse reflection spectroscopy is often used to account for variations in tissue optical properties at the photosensitizer excitation and emission bands. It can be used to quantify changes in vascular parameters, such as blood volume fraction and saturation, and can aid understanding of tissue response to PDT. The volume and(/or) depth over which these signals are acquired are critical. The aim of this study is to use quantitative reflectance spectroscopy (DPS) to correct fluorescence for changes in tissue optical properties and monitor PDT. Materials & Methods: ALA was topically applied to hairless mice skin and the incubated spot was treated with PDT according to fractionated illumination schemes. DPS measurements of vascular parameters and optical properties were performed directly before and after illumination. Both the differential signal, delivery-and-collection-fiber signal and the collection fiber signal, which all probe different measurement volumes, are analyzed. Results & Conclusions: Analysis of DPS measurements shows that at the depth where most fluorescence originates, there is almost no blood present. During PDT vascular parameters at this depth stay constant. In more oxygenated layers of the tissue, the optical properties do change during PDT, suggesting that only a small part of PpIX fluorescence originates from the interesting depths where vascular response occurs. Correcting fluorescence emission spectra for optical changes at specific depths and not for the total of changes in a larger volume, as is usually done now, can improve PpIX photobleaching based treatment monitoring.

  12. Analysis of nutrition-relevant trace elements in human blood and serum by means of total reflection X-ray fluorescence (TXRF) spectroscopy

    International Nuclear Information System (INIS)

    Stosnach, Hagen; Mages, Margarete

    2009-01-01

    In clinical service laboratories, one of the most common analytical tasks with regard to inorganic traces is the determination of the nutrition-relevant elements Fe, Cu, Zn, and Se. Because of the high numbers of samples and the commercial character of these analyses, a time-consuming sample preparation must be avoided. In this presentation, the results of total reflection X-ray fluorescence measurements with a low-power system and different sample preparation procedures are compared with those derived from analysis with common methods like Atomic Absorption Spectroscopy (AAS) and Inductively Coupled Plasma Mass Spectroscopy (ICP-MS). The results of these investigations indicate that the optimal total reflection X-ray fluorescence analysis of the nutrition-relevant elements Fe, Cu, Zn, and Se can be performed by preparing whole blood and serum samples after dilution with ultrapure water and transferring 10 μl of internally standardized sample to an unsiliconized quartz glass sample carrier with subsequent drying in a laboratory oven. Suitable measurement time was found to be 600 s. The enhanced sample preparation by means of microwave or open digestion, in parts combined with cold plasma ashing, led to an improvement of detection limits by a factor of 2 for serum samples while for whole blood samples an improvement was only observed for samples prepared by means of microwave digestion. As the matrix elements P, S, Cl, and for whole blood Fe have a major influence on the detection limits, most probably a further enhancement of analytical quality requires the removal of the organic matrix. However, for the routine analysis of the nutrition-relevant elements, the dilution preparation was found to be sufficient.

  13. Sensing cocaine in saliva with attenuated total reflection infrared (ATR-IR) spectroscopy combined with a one-step extraction method

    Science.gov (United States)

    Hans, Kerstin M.-C.; Gianella, Michele; Sigrist, Markus W.

    2012-03-01

    On-site drug tests have gained importance, e.g., for protecting the society from impaired drivers. Since today's drug tests are majorly only positive/negative, there is a great need for a reliable, portable and preferentially quantitative drug test. In the project IrSens we aim to bridge this gap with the development of an optical sensor platform based on infrared spectroscopy and focus on cocaine detection in saliva. We combine a one-step extraction method, a sample drying technique and infrared attenuated total reflection (ATR) spectroscopy. As a first step we have developed an extraction technique that allows us to extract cocaine from saliva to an almost infrared-transparent solvent and to record ATR spectra with a commercially available Fourier Transform-infrared spectrometer. To the best of our knowledge this is the first time that such a simple and easy-to-use one-step extraction method is used to transfer cocaine from saliva into an organic solvent and detect it quantitatively. With this new method we are able to reach a current limit of detection around 10 μg/ml. This new extraction method could also be applied to waste water monitoring and controlling caffeine content in beverages.

  14. A novel combined approach of diffuse reflectance UV-Vis-NIR spectroscopy and multivariate analysis for non-destructive examination of blue ballpoint pen inks in forensic application.

    Science.gov (United States)

    Kumar, Raj; Sharma, Vishal

    2017-03-15

    The present research is focused on the analysis of writing inks using destructive UV-Vis spectroscopy (dissolution of ink by the solvent) and non-destructive diffuse reflectance UV-Vis-NIR spectroscopy along with Chemometrics. Fifty seven samples of blue ballpoint pen inks were analyzed under optimum conditions to determine the differences in spectral features of inks among same and different manufacturers. Normalization was performed on the spectroscopic data before chemometric analysis. Principal Component Analysis (PCA) and K-mean cluster analysis were used on the data to ascertain whether the blue ballpoint pen inks could be differentiated by their UV-Vis/UV-Vis NIR spectra. The discriminating power is calculated by qualitative analysis by the visual comparison of the spectra (absorbance peaks), produced by the destructive and non-destructive methods. In the latter two methods, the pairwise comparison is made by incorporating the clustering method. It is found that chemometric method provides better discriminating power (98.72% and 99.46%, in destructive and non-destructive, respectively) in comparison to the qualitative analysis (69.67%). Copyright © 2016 Elsevier B.V. All rights reserved.

  15. New frontiers of high-resolution spectroscopy: Probing the atmospheres of brown dwarfs and reflected light from exoplanets

    Science.gov (United States)

    Birkby, Jayne; Alonso, Roi; Brogi, Matteo; Charbonneau, David; Fortney, Jonathan; Hoyer, Sergio; Johnson, John Asher; de Kok, Remco; Lopez-Morales, Mercedes; Montet, Ben; Snellen, Ignas

    2015-12-01

    High-resolution spectroscopy (R>25,000) is a robust and powerful tool in the near-infrared characterization of exoplanet atmospheres. It has unambiguously revealed the presence of carbon monoxide and water in several hot Jupiters, measured the rotation rate of beta Pic b, and suggested the presence of fast day-to-night winds in one atmosphere. The method is applicable to transiting, non-transiting, and directly-imaged planets. It works by resolving broad molecular bands in the planetary spectrum into a dense, unique forest of individual lines and tracing them directly by their Doppler shift, while the star and tellurics remain essentially stationary. I will focus on two ongoing efforts to expand this technique. First, I will present new results on 51 Peg b revealing its infrared atmospheric compositional properties, then I will discuss an ongoing optical HARPS-N/TNG campaign (due mid October 2015) to obtain a detailed albedo spectrum of 51 Peg b at 387-691 nm in bins of 50nm. This spectrum would provide strong constraints on the previously claimed high albedo and potentially cloudy nature of this planet. Second, I will discuss preliminary results from Keck/NIRSPAO observations (due late September 2015) of LHS 6343 C, a 1000 K transiting brown dwarf with an M-dwarf host star. The high-resolution method converts this system into an eclipsing, double-lined spectroscopic binary, thus allowing dynamical mass and radius estimates of the components, free from astrophysical assumptions. Alongside probing the atmospheric composition of the brown dwarf, these data would provide the first model-independent study of the bulk properties of an old brown dwarf, with masses accurate to <5%, placing a crucial constraint on brown dwarf evolution models.

  16. Estimation of the susceptibility at erosion and desertification in wet areas with VNIR radiometry

    International Nuclear Information System (INIS)

    Cordoba-Sola, P.; Navarro-Pedreno, J.; Gomez-Lucas, I.; Mataix-Beneyto, J.

    2009-01-01

    A multispectral technology as tool for assessing the susceptibility to erosion and desertification in humid zones from the European Mediterranean was applied by means of the use of spectral reflectance data to determine the contents of different attributes of the soils. A collection of field electromagnetic spectrums were obtained from 25 covers of soil, a derivative analysis was applied to electromagnetic spectrums and finally a PCS was made. The results showed good correlations (R 2 >0,5) between properties of soil and electromagnetic spectrum, therefore it is possible to determine the content of these soil attributes with spectral analysis, which minimizes cost and time. (Author) 8 refs.

  17. Rapid identification of soil cadmium pollution risk at regional scale based on visible and near-infrared spectroscopy.

    Science.gov (United States)

    Chen, Tao; Chang, Qingrui; Clevers, J G P W; Kooistra, L

    2015-11-01

    Soil heavy metal pollution due to long-term sewage irrigation is a serious environmental problem in many irrigation areas in northern China. Quickly identifying its pollution status is an important basis for remediation. Visible-near-infrared reflectance spectroscopy (VNIRS) provides a useful tool. In a case study, 76 soil samples were collected and their reflectance spectra were used to estimate cadmium (Cd) concentration by partial least squares regression (PLSR) and back propagation neural network (BPNN). To reduce noise, six pre-treatments were compared, in which orthogonal signal correction (OSC) was first used in soil Cd estimation. Spectral analysis and geostatistics were combined to identify Cd pollution hotspots. Results showed that Cd was accumulated in topsoil at the study area. OSC can effectively remove irrelevant information to improve prediction accuracy. More accurate estimation was achieved by applying a BPNN. Soil Cd pollution hotspots could be identified by interpolating the predicted values obtained from spectral estimates. Copyright © 2015 Elsevier Ltd. All rights reserved.

  18. Native SrTiO3 (001) surface layer from resonant Ti L2,3 reflectance spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Valvidares, Manuel; Huijben, Mark; Yu, Pu; Ramesh, Ramamoorthy; Kortright, Jeffrey

    2010-11-03

    We quantitatively model resonant Ti L2,3 reflectivity Rs,p(q, hn) from several SrTiO3 (001) single crystals having different initial surface preparations and stored in ambient conditions before and between measurements. All samples exhibit unexpected 300 K Rs(hn) - Rp(hn) anisotropy corresponding to weak linear dichroism and tetragonal distortion of the TiO6 octahedra indicating a surface layer with properties different from cubic SrTiO3. Oscillations in Rs(q) confirm a ubiquitous surface layer 2-3 nm thick that evolves over a range of time scales. Resonant optical constant spectra derived from Rs,p(hn) assuming a uniform sample are refined using a single surface layer to fit measured Rs(q). Differences in surface layer and bulk optical properties indicate that the surface is significantly depleted in Sr and enriched in Ti and O. While consistent with the tendency of SrTiO3 surfaces toward non-stoichiometry, this layer does not conform simply to existing models for the near surface region and apparently forms via room temperature surface reactions with the ambient. This new quantitative spectral modeling approach is generally applicable and has potential to study near-surface properties of a variety of systems with unique chemical and electronic sensitivities.

  19. Total reflection X-ray spectroscopy as a rapid analytical method for uranium determination in drainage water

    International Nuclear Information System (INIS)

    Matsuyama, Tsugufumi; Sakai, Yasuhiro; Izumoto, Yukie; Imaseki, Hitoshi; Hamano, Tsuyoshi; Yoshii, Hiroshi

    2017-01-01

    Uranium concentrations in drainage water are typically determined by α-spectrometry. However, due to the low specific radioactivity of uranium, the evaporation of large volumes of drainage water, followed by several hours of measurements, is required. Thus, the development of a rapid and simple detection method for uranium in drainage water would enhance the operation efficiency of radiation control workers. We herein propose a novel methodology based on total reflection X-ray fluorescence (TXRF) for the measurement of uranium in contaminated water. TXRF is a particularly desirable method for the rapid and simple evaluation of uranium in contaminated water, as chemical pretreatment of the sample solution is not necessary, measurement times are typically several seconds, and the required sample volume is low. We herein employed sample solutions containing several different concentrations of uranyl acetate with yttrium as an internal standard. The solutions were placed onto sample holders, and were dried prior to TXRF measurements. The relative intensity, otherwise defined as the net intensity ratio of the Lα peak of uranium to the Kα peak of yttrium, was directly proportional to the uranium concentration. Using this method, a TXRF detection limit for uranium in contaminated water of 0.30 μg/g was achieved. (author)

  20. Elucidation of the electronic states in polyethylene glycol by attenuated Total reflectance spectroscopy in the far-ultraviolet region

    Science.gov (United States)

    Ueno, Nami; Wakabayashi, Tomonari; Morisawa, Yusuke

    2018-05-01

    We measured the attenuated total reflectance-far ultraviolet (ATR-FUV) spectra of poly(ethylene glycol) (PEG; average molecular weights of 200, 300, and 400) and related materials in the liquid state in the 145-200-nm wavelength region. For appropriately assigning the absorption bands, we also performed theoretical simulation of the unit-number dependent electronic spectra. The FUV spectra of PEGs contain three bands, which are assigned to the transitions between n(CH2OCH2)-3s Rydberg state (176 nm), n(CH2OCH2)-3p Rydberg state (163 nm), and n(OH)-3p Rydberg state (153 nm). Since the contribution of n(OH) decreases compared to n(CH2OCH2) with increase in the number of units, the ratios of the molar absorption coefficients, ε, at 153 nm relative to 163 nm, decrease. On the other hand, the ratio of ε at 176 nm to that at 163 nm increases with increase in the number of units, because of the difference in the number of unoccupied orbitals in the transitions. The calculated results suggest that n orbitals form two electronic bands. In the upper band, the electrons expand over the ether chain, whereas in the lower band, the electrons are localized in the terminal OH in the PEGs.

  1. Sensitive determination of trace mercury by UV-visible diffuse reflectance spectroscopy after complexation and membrane filtration-enrichment.

    Science.gov (United States)

    Yin, Changhai; Iqbal, Jibran; Hu, Huilian; Liu, Bingxiang; Zhang, Lei; Zhu, Bilin; Du, Yiping

    2012-09-30

    A simple, sensitive and selective solid phase reflectometry method is proposed for the determination of trace mercury in aqueous samples. The complexation reagent dithizone was firstly injected into the properly buffered solution with vigorous stirring, which started a simultaneous formation of nanoparticles suspension of dithizone and its complexation reaction with the mercury(II) ions to make Hg-dithizone nanoparticles. After a definite time, the mixture was filtered with membrane, and then quantified directly on the surface of the membrane by using integrating sphere accessory of the UV-visible spectrophotometer. The quantitative analysis was carried out at a wavelength of 485 nm since it yielded the largest difference in diffuse reflectance spectra before and after reaction with mercury(II).A good linear correlation in the range of 0.2-4.0 μg/L with a squared correlation coefficient (R(2)) of 0.9944 and a detection limit of 0.12 μg/L were obtained. The accuracy of the method was evaluated by the analysis of spiked mercury(II) concentrations determined using this method along with those determined by the atomic fluorescence mercury vapourmeter and the results obtained were in good agreement. The proposed method was applied to the determination of mercury in tap water and river water samples with the recovery in an acceptable range (95.7-105.3%). Copyright © 2012 Elsevier B.V. All rights reserved.

  2. Detection of premature browning in ground beef with an integrated optical-fibre based sensor using reflection spectroscopy and fibre Bragg grating technology

    International Nuclear Information System (INIS)

    O'Farrell, M; Sheridan, C; Lewis, E

    2007-01-01

    This paper reports on an optical fibre based sensor system to detect the occurrence of premature browning in ground beef. Premature browning (PMB) occurs when, at a temperature below the pasteurisation temperature of 71 deg. C, there are no traces of pink meat left in the patty. PMB is more frequent if poorer quality beef or beef that has been stored under imperfect conditions. The experimental work pertaining to this paper involved cooking fresh meat and meat that has been stored in a freezer for, 1 week, 1 month and 3 months and recording the reflected spectra and temperature at the core of the product, during the cooking process, in order to develop a classifier based on the spectral response and using a Self-Organising Map (SOM) to classify the patties into one of four categories, based on their colour. Further tests were also carried out on developing an all-optical fibre sensor for measuring both the temperature and colour in a single integrated probe. The integrated probe contains two different sensor concepts, one to monitor temperature, based on Fibre Bragg Grating (FBG) technology and a second for meat quality, based on reflection spectroscopy in the visible wavelength range

  3. Comparison of infrared spectroscopy techniques: developing an efficient method for high resolution analysis of sediment properties from long records

    Science.gov (United States)

    Hahn, Annette; Rosén, Peter; Kliem, Pierre; Ohlendorf, Christian; Persson, Per; Zolitschka, Bernd; Pasado Science Team

    2010-05-01

    The analysis of sediment samples in visible to mid-infrared spectra is ideal for high-resolution records. It requires only small amounts (0.01-0.1g dry weight) of sample material and facilitates rapid and cost efficient analysis of a wide variety of biogeochemical properties on minerogenic and organic substances (Kellner et al. 1998). One of these techniques, the Diffuse Reflectance Fourier Transform Infrared Spectrometry (DRIFTS), has already been successfully applied to lake sediment from very different settings and has shown to be a promising technique for high resolution analyses of long sedimentary records on glacial-interglacial timescales (Rosén et al. 2009). However, the DRIFTS technique includes a time-consuming step where sediment samples are mixed with KBr. To assess if alternative and more rapid infrared (IR) techniques can be used, four different IR spectroscopy techniques are compared for core catcher sediment samples from Laguna Potrok Aike - an ICDP site located in southernmost South America. Partial least square (PLS) calibration models were developed using the DRIFTS technique. The correlation coefficients (R) for correlations between DRIFTS-inferred and conventionally measured biogeochemical properties show values of 0.80 for biogenic silica (BSi), 0.95 for total organic carbon (TOC), 0.91 for total nitrogen (TN), and 0.92 for total inorganic carbon (TIC). Good statistical performance was also obtained by using the Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy ATR-FTIRS technique which requires less sample preparation. Two devices were used, the full-sized Bruker Equinox 252 and the smaller and less expensive Bruker Alpha. R for ATR-FTIRS-inferred and conventionally measured biogeochemical properties were 0.87 (BSi), 0.93 (TOC), 0.90 (TN), and 0.91 (TIC) for the Alpha, and 0.78 (TOC), 0.85 (TN), 0.79 (TIC) for the Equinox 252 device. As the penetration depth of the IR beam is frequency dependent, a firm surface contact of

  4. Quantitative determination of iron, copper, lead, chromium and nickel in electronic waste samples using total reflection x-ray fluorescence spectroscopy

    International Nuclear Information System (INIS)

    Elaseer, A. S.; Musbah, A. S; Ammar, M. M. G.; Salah, M. A.; Aisha, E. A.

    2015-01-01

    Total reflection x-ray fluorescence spectroscopy in conjunction with microwave assisted extraction technique was used for the analysis of twenty electronic waste samples. The analysis was limited to the printed circuit boards of electronic devices. Iron, copper, lead, chromium and nickel were quantitatively determined in the samples. The samples were carefully milled to fine powder and 50mg was digested by acid using microwave digestion procedure. The digested samples solution was spread together with gallium as internal standard on the reflection disk and analyzed. The results showed that the cassette recorder boards contain the highest concentration of iron, lead and nickel. The average concentrations of these metals were 78, 73 and 71g/Kg respectively. Computer boards contained the highest copper average concentration 39g/Kg. the highest chromium average concentration 3.6 g/Kg was in mobile phone boards. Measurements were made using PicoTAX portable x-ray device. the instrument was used for quantitative multi-element analysis. An air cooled x-ray tube (40KV, 1 mA) with Mo target and Be window was used as x-ray source. The optics of the device was a multilayer Ni/C, 17.5 keV, 80% reflectivity provides analysis of elements from Si to Zr (K series) and Rh to U (L series). A Si PIN-diode detector (7mm"2, 195eV) was used for the elements detection. In this study heavy metals average concentration in electronic circuit boards in the in the order of iron (35.25g/kg), copper (21.14g/Kg), lead (16.59g/Kg), nickel (16.01g/Kg) and chromium (1.07g/Kg).(author)

  5. Influence of composition and roughness on the pigment mapping of paintings using mid-infrared fiberoptics reflectance spectroscopy (mid-IR FORS) and multivariate calibration.

    Science.gov (United States)

    Sessa, Clarimma; Bagán, Héctor; García, Jose Francisco

    2014-10-01

    Mid-infrared fiberoptics reflectance spectroscopy (mid-IR FORS) is a very interesting technique for artwork characterization purposes. However, the fact that the spectra obtained are a mixture of surface (specular) and volume (diffuse) reflection is a significant drawback. The physical and chemical features of the artwork surface may produce distortions in the spectra that hinder comparison with reference databases acquired in transmission mode. Several studies attempted to understand the influence of the different variables and propose procedures to improve the interpretation of the spectra. This article is focused on the application of mid-IR FORS and multivariate calibration to the analysis of easel paintings. The objectives are the evaluation of the influence of the surface roughness on the spectra, the influence of the matrix composition for the classification of unknown spectra, and the capability of obtaining pigment composition mappings. A first evaluation of a fast procedure for spectra management and pigment discrimination is discussed. The results demonstrate the capability of multivariate methods, principal component analysis (PCA), and partial least squares discrimination analysis (PLS-DA), to model the distortions of the reflectance spectra and to delimitate and discriminate areas of uniform composition. The roughness of the painting surface is found to be an important factor affecting the shape and relative intensity of the spectra. A mapping of the major pigments of a painting is possible using mid-IR FORS and PLS-DA when the calibration set is a palette that includes the potential pigments present in the artwork mixed with the appropriate binder and that shows the different paint textures.

  6. Verification of Rapid Focused-Recharge in Depressions of Kuwait and the Arabian Peninsula Using Thermal and VNIR Remote Sensing

    Science.gov (United States)

    Rotz, R. R.; Milewski, A.

    2013-12-01

    In the Arabian Peninsula, freshwater recharge from rainfall is infrequent. Recharge is typically focused in small depressions that fill with seasonal runoff and potentially form freshwater lenses. This phenomenon has been verified in the Raudhatain watershed in Kuwait. This study aims to substantiate previously hypothesized lens locations and detect water in the subsurface by using thermal remote sensing and rainfall data. Potential freshwater lenses (~142) have been previously postulated throughout Kuwait and Saudi Arabia, but lack verification due to inadequate monitoring networks. We hypothesize that due to water's unique heat capacity, recharge zones can be detected by identifying areas with lower changes in surface radiance values than neighboring dry areas between day and night after peak or sustained rainfall. If successful, recharge zones and freshwater lenses can be identified and verified in remote hyper-arid regions. We collected 320 high-resolution (15m - 90m), low cloud cover (lens locations, runoff channels, agricultural regions, and wetlands were detected in areas where radiance values change between 0.067 - 2.25 Wsr-1m-2 from day to night scenes and verified by Google Earth (15m), Landsat (30m), and ASTER VNIR (15m) images. Additionally, two seasonal peak rainfall (~35mm/day) events positively correlate with the surface radiance difference values. Surface radiance values for dry areas adjacent to the postulated lens locations range between 2.25 - 12.2 Wsr-1m-2. Results demonstrate the potential for shallow groundwater detection through the presence of ephemeral water bodies in hyper-arid regions en masse; however, the absence of comparable diurnal images limits data in these regions. Linking high rainfall events with low diurnal surface radiance images is ideal for capturing the presence of temporary surface runoff and recharge zones. Expanded research on hyper-arid regions including thermal values, proposed lens locations, and in-situ data will

  7. Selected techniques in radioecology: Model development and comparison for internal dosimetry of rainbow trout (Oncorhynchus mykiss) and feasibiltiy assessment of reflectance spectroscopy use as a tool in phytoremediation

    Science.gov (United States)

    Martinez, Nicole

    Factors (DCFs) for whole body as well as selected organs of O. mykiss were computed using Monte Carlo modeling, and combined with the empirical models for predicting activity concentration, to estimate dose rates and ultimately determine cumulative radiation dose (microGy) to selected organs after several half-lives of either 131I or 99Mo. The different computational models provided similar results, especially for organs that were both the source and target of radiation (less than 30% difference between estimated doses). Part 2 considers the use of reflectance spectroscopy as a remediation tool through its potential to determine plant stress from metal contaminants. The studies in Part 2 further investigate the potential use of reflectance spectroscopy as a method for assessing metal stress in plants. In the first study, Arabidopsis thaliana plants were treated twice weekly in a laboratory setting with varying levels (0 mM, 0.5 mM, or 5 mM) of cesium chloride (CsCl) solution, and reflectance spectra were collected every week for three weeks using an ASD FieldSpec Pro spectroradiometer with both a contact probe and a field of view probe at 36.8 and 66.7 cm above the plant. As metal stress is known to mimic drought stress, plants were harvested each week after spectra collection for determination of relative water content and chlorophyll content. A visual assessment of the plants was also conducted using point observations on a uniform grid of 81 points. Two-way ANOVAs were performed on selected vegetation indices (VI) to determine the significance of the effects of treatment level and length of treatment. Linear regression was used to relate the most appropriate vegetation indices to the aforementioned endpoints and to compare results provided by the three different spectra collection techniques. One-way ANOVAs were performed on selected VI at each time point to determine which, if any, indices offered a significant prediction of the overall extent of Cs toxicity. Of the

  8. Reflectance spectroscopy (0.35-8 μm) of ammonium-bearing minerals and qualitative comparison to Ceres-like asteroids

    Science.gov (United States)

    Berg, Breanne L.; Cloutis, Edward A.; Beck, Pierre; Vernazza, Pierre; Bishop, Janice L.; Takir, Driss; Reddy, Vishnu; Applin, Daniel; Mann, Paul

    2016-02-01

    Ammonium-bearing minerals have been suggested to be present on Mars, Ceres, and various asteroids and comets. We undertook a systematic study of the spectral reflectance properties of ammonium-bearing minerals and compounds that have possible planetary relevance (i.e., ammonium carbonates, chlorides, nitrates, oxalates, phosphates, silicates, and sulfates). Various synthetic and natural NH4+-bearing minerals were analyzed using reflectance spectroscopy in the long-wave ultraviolet, visible, near-infrared, and mid-infrared regions (0.35-8 μm) in order to identify spectral features characteristic of the NH4+ molecule, and to evaluate if and how these features vary among different species. Mineral phases were confirmed through structural and compositional analyses using X-ray diffraction, X-ray fluorescence, and elemental combustion analysis. Characteristic absorption features associated with NH4 can be seen in the reflectance spectra at wavelengths as short as ∼1 μm. In the near-infrared region, the most prominent absorption bands are located near 1.6, 2.0, and 2.2 μm. Absorption features characteristic of NH4+ occurred at slightly longer wavelengths in the mineral-bound NH4+ spectra than for free NH4+ for most of the samples. Differences in wavelength position are attributable to various factors, including differences in the type and polarizability of the anion(s) attached to the NH4+, degree and type of hydrogen bonding, molecule symmetry, and cation substitutions. Multiple absorption features, usually three absorption bands, in the mid-infrared region between ∼2.8 and 3.8 μm were seen in all but the most NH4-poor sample spectra, and are attributed to fundamentals, combinations, and overtones of stretching and bending vibrations of the NH4+ molecule. These features appear even in reflectance spectra of water-rich samples which exhibit a strong 3 μm region water absorption feature. While many of the samples examined in this study have NH4 absorption bands

  9. Reflectance spectroscopy (0.35–8 μm) of ammonium-bearing minerals and qualitative comparison to Ceres-like asteroids

    Science.gov (United States)

    Berg, Breanne L.; Cloutis, Edward A.; Beck, P.; Vernazza, P.; Bishop, Janice L; Takir, Driss; Reddy, V.; Applin, D.; Mann, Paul

    2016-01-01

    Ammonium-bearing minerals have been suggested to be present on Mars, Ceres, and various asteroids and comets. We undertook a systematic study of the spectral reflectance properties of ammonium-bearing minerals and compounds that have possible planetary relevance (i.e., ammonium carbonates, chlorides, nitrates, oxalates, phosphates, silicates, and sulfates). Various synthetic and natural NH4+-bearing minerals were analyzed using reflectance spectroscopy in the long-wave ultraviolet, visible, near-infrared, and mid-infrared regions (0.35–8 μm) in order to identify spectral features characteristic of the NH4+ molecule, and to evaluate if and how these features vary among different species. Mineral phases were confirmed through structural and compositional analyses using X-ray diffraction, X-ray fluorescence, and elemental combustion analysis. Characteristic absorption features associated with NH4 can be seen in the reflectance spectra at wavelengths as short as ∼1 μm. In the near-infrared region, the most prominent absorption bands are located near 1.6, 2.0, and 2.2 μm. Absorption features characteristic of NH4+ occurred at slightly longer wavelengths in the mineral-bound NH4+ spectra than for free NH4+ for most of the samples. Differences in wavelength position are attributable to various factors, including differences in the type and polarizability of the anion(s) attached to the NH4+, degree and type of hydrogen bonding, molecule symmetry, and cation substitutions. Multiple absorption features, usually three absorption bands, in the mid-infrared region between ∼2.8 and 3.8 μm were seen in all but the most NH4-poor sample spectra, and are attributed to fundamentals, combinations, and overtones of stretching and bending vibrations of the NH4+ molecule. These features appear even in reflectance spectra of water-rich samples which exhibit a strong 3 μm region water absorption feature. While many of the samples examined in this study have NH4 absorption

  10. Application of Terahertz Attenuated Total Reflection Spectroscopy to Detect Changes in the Physical Properties of Lactose during the Lubrication Process Required for Drug Formulation.

    Science.gov (United States)

    Dohi, Masafumi; Momose, Wataru; Yamashita, Kazunari; Hakomori, Tadashi; Sato, Shusaku; Noguchi, Shuji; Terada, Katsuhide

    2017-02-01

    Manufacturing the solid dosage form of an orally administered drug requires lubrication to enhance manufacturability, ensuring that critical quality attributes such as disintegration and dissolution of the drug product are maintained during manufacture. Here, to evaluate lubrication performance during manufacture, we used terahertz attenuated total reflection (THz-ATR) spectroscopy to detect differences in the physical characteristics of the lubricated powder. We applied a simple formulation prepared by blending granulated lactose as filler with magnesium stearate as lubricant. A flat tablet was prepared using the lubricated powder to acquire sharp THz-ATR absorption peaks of the samples. First, we investigated the effects of lubricant concentration and compression pressure on preparation of the tablet and then determined the effect of the pressure applied to samples in contact with the ATR prism on sample absorption amplitude. We focused on the differences in the magnitudes of spectra at the lactose-specific frequency. Second, we conducted the dynamic lubrication process using a 120-L mixer to investigate differences in the magnitudes of absorption corresponding to the lactose-specific frequency during lubrication. In both studies, enriching the lubricated powder with a higher concentration of magnesium stearate or prolonging blending time correlated with higher magnitudes of spectra at the lactose-specific frequency. Further, in the dynamic lubrication study, the wettability and disintegration time of the tablets were compared with the absorption spectra amplitudes at the lactose-specific frequency. We conclude that THz-ATR spectroscopy is useful for detecting differences in densities caused by a change in the physical properties of lactose during lubrication.

  11. The problem of 2,4,6-trichloroanisole in cork planks studied by attenuated total reflection infrared spectroscopy: proof of concept.

    Science.gov (United States)

    Garcia, Ana R; Lopes, Luís F; Brito de Barros, Ricardo; Ilharco, Laura M

    2015-01-14

    Attenuated total reflection infrared spectroscopy (ATR-IR) proved to be a promising detection technique for 2,4,6-trichloroanisole (TCA), which confers organoleptic defects to bottled alcoholic beverages, allowing the proposal of a criterion for cork plank acceptance when meant for stopper production. By analysis of a significant number of samples, it was proved that the presence of TCA, even in very low concentrations, imparts subtle changes to the cork spectra, namely, the growth of two new bands at ∼1417 (νC═C of TCA ring) and 1314 cm–1 (a shifted νCC of TCA) and an increase in the relative intensities of the bands at ∼1039 cm–1 (δCO of polysaccharides) and ∼813 cm–1 (τCH of suberin), the latter by overlapping with intense bands of TCA. These relative intensities were evaluated in comparison to a fingerprint of suberin (νasC–O–C), at 1161 cm–1. On the basis of those spectral variables, a multivariate statistics linear analysis (LDA) was performed to obtain a discriminant function that allows classifying the samples according to whether they contain or not TCA. The methodology proposed consists of a demanding acceptance criterion for cork planks destined for stopper production (with the guarantee of nonexistence of TCA) that results from combining the quantitative results with the absence of the two TCA correlated bands. ATR infrared spectroscopy is a nondestructive and easy to apply technique, both on cork planks and on stoppers, and has proven more restrictive than other techniques used in the cork industry that analyze the cleaning solutions. At the level of proof of concept, the method here proposed is appealing for high-value stopper applications.

  12. Stand-alone polarization-modulation infrared reflection absorption spectroscopy instrument optimized for the study of catalytic processes at elevated pressures

    Science.gov (United States)

    Kestell, John D.; Mudiyanselage, Kumudu; Ye, Xinyi; Nam, Chang-Yong; Stacchiola, Dario; Sadowski, Jerzy; Boscoboinik, J. Anibal

    2017-10-01

    This paper describes the design and construction of a compact, "user-friendly" polarization-modulation infrared reflection absorption spectroscopy (PM-IRRAS) instrument at the Center for Functional Nanomaterials (CFN) of Brookhaven National Laboratory, which allows studying surfaces at pressures ranging from ultra-high vacuum to 100 Torr. Surface infrared spectroscopy is ideally suited for studying these processes as the vibrational frequencies of the IR chromophores are sensitive to the nature of the bonding environment on the surface. Relying on the surface selection rules, by modulating the polarization of incident light, it is possible to separate the contributions from the isotropic gas or solution phase, from the surface bound species. A spectral frequency range between 1000 cm-1 and 4000 cm-1 can be acquired. While typical spectra with a good signal to noise ratio can be obtained at elevated pressures of gases in ˜2 min at 4 cm-1 resolution, we have also acquired higher resolution spectra at 0.25 cm-1 with longer acquisition times. By way of verification, CO uptake on a heavily oxidized Ru(0001) sample was studied. As part of this test study, the presence of CO adsorbed on Ru bridge sites was confirmed, in agreement with previous ambient pressure X ray photoelectron spectroscopy studies. In terms of instrument performance, it was also determined that the gas phase contribution from CO could be completely removed even up to pressures close to 100 Torr. A second test study demonstrated the use of the technique for studying morphological properties of a spin coated polymer on a conductive surface. Note that this is a novel application of this technique. In this experiment, the polarization of incident light was modulated manually (vs. through a photoelastic modulator). It was demonstrated, in good agreement with the literature, that the polymer chains preferentially lie parallel with the surface. This PM-IRRAS system is small, modular, and easily

  13. Visible and near-infrared (0.4-2.5 μm) reflectance spectra of playa evaporite minerals

    Science.gov (United States)

    Crowley, James K.

    1991-01-01

    Visible and near-infrared (VNIR; 0.4–2.4 μm) reflectance spectra were recorded for 35 saline minerals that represent the wide range of mineral and brine chemical compositions found in playa evaporite settings. The spectra show that many of the saline minerals exhibit diagnostic near-infrared absorption bands, chiefly attributable to vibrations of hydrogen-bonded structural water molecules. VNIR reflectance spectra can be used to detect minor hydrate phases present in mixtures dominated by anhydrous halite or thenardite, and therefore will be useful in combination with X ray diffraction data for characterizing natural saline mineral assemblages. In addition, VNIR reflectance spectra are sensitive to differences in sample hydration state and should facilitate in situ studies of minerals that occur as fragile, transitory dehydration products in natural salt crusts. The use of spectral reflectance measurements in playa studies should aid in mapping evaporite mineral distributions and may provide insight into the geochemical and hydrological controls on playa mineral and brine development.

  14. Developing Atmospheric Retrieval Methods for Direct Imaging Spectroscopy of Gas Giants in Reflected Light I: Methane Abundances and Basic Cloud Properties

    Science.gov (United States)

    Lupu, R. E.; Marley, M. S.; Lewis, N.; Line, M.; Traub, W.; Zahnle, K.

    2016-01-01

    Reflected light spectroscopy and photometry of cool, directly imaged extrasolar giant planets are expected to be performed in the next decade by space-based telescopes equipped with optical wavelength coronagraphs and integral field spectrographs, such as the Wide-Field Infrared Survey Telescope (WFIRST). We are developing a new atmospheric retrieval methodology to help assess the science return and inform the instrument design for such future missions, and ultimately interpret the resulting observations. Our retrieval technique employs an albedo model coupled with both a Markov chain Monte Carlo Ensemble Sampler (emcee) and a multimodal nested sampling algorithm (MultiNest) to map the posterior distribution. This combination makes the global evidence calculation more robust for any given model, and highlights possible discrepancies in the likelihood maps. Here we apply this methodology to simulated spectra of cool giant planets. As a proof-of-concept, our current atmospheric model contains 1 or 2 cloud layers, methane as a major absorber, and a H2-He background gas. This 6-to-9 parameter model is appropriate for Jupiter-like planets and can be easily expanded in the future. In addition to deriving the marginal likelihood distribution and confidence intervals for the model parameters, we perform model selection to determine the significance of methane and cloud detection as a function of expected signal-to-noise, in the presence of spectral noise correlations. After internal validation, the method is applied to realistic reflected-light spectra of Jupiter, Saturn, and HD 99492 c, a likely observing target. We find that the presence or absence of clouds and methane can be determined with high accuracy, while parameters uncertainties are model-dependent.

  15. A conjunct near-surface spectroscopy system for fix-angle and multi-angle continuous measurements of canopy reflectance and sun-induced chlorophyll fluorescence

    Science.gov (United States)

    Zhang, Qian; Fan, Yifeng; Zhang, Yongguang; Chou, Shuren; Ju, Weimin; Chen, Jing M.

    2016-09-01

    An automated spectroscopy system, which is divided into fix-angle and multi-angle subsystems, for collecting simultaneous, continuous and long-term measurements of canopy hyper-spectra in a crop ecosystem is developed. The fix-angle subsystem equips two spectrometers: one is HR2000+ (OceanOptics) covering the spectral range 200-1100 nm with 1.0 nm spectral resolution, and another one is QE65PRO (OceanOptics) providing 0.1 nm spectral resolution within the 730-780 nm spectral range. Both spectrometers connect a cosine-corrected fiber-optic fixed up-looking to collect the down-welling irradiance and a bare fiber-optic to measure the up-welling radiance from the vegetation. An inline fiber-optic shutter FOS-2x2-TTL (OceanOptics) is used to switch between input fibers to collect the signal from either the canopy or sky at one time. QE65PRO is used to permit estimation of vegetation Sun-Induced Fluorescence (SIF) in the O2-A band. The data collection scheme includes optimization of spectrometer integration time to maximize the signal to noise ratio and measurement of instrument dark currency. The multi-angle subsystem, which can help understanding bidirectional reflectance effects, alternatively use HR4000 (OceanOptics) providing 0.1 nm spectral resolution within the 680-800 nm spectral range to measure multi-angle SIF. This subsystem additionally includes a spectrometer Unispec-DC (PPSystems) featuring both up-welling and down-welling channels with 3 nm spectral resolution covering the 300-1100 nm spectral range. Two down-looking fiber-optics are mounted on a rotating device PTU-D46 (FLIR Systems), which can rotate horizontally and vertically at 10° angular step widths. Observations can be used to calculate canopy reflectance, vegetation indices and SIF for monitoring plant physiological processes.

  16. A Catalytic Path for Electrolyte Reduction in Lithium-Ion Cells Revealed by in Situ Attenuated Total Reflection-Fourier Transform Infrared Spectroscopy

    KAUST Repository

    Shi, Feifei; Ross, Philip N.; Zhao, Hui; Liu, Gao; Somorjai, Gabor A.; Komvopoulos, Kyriakos

    2015-01-01

    © 2015 American Chemical Society. Although controlling the interfacial chemistry of electrodes in Li-ion batteries (LIBs) is crucial for maintaining the reversibility, electrolyte decomposition has not been fully understood. In this study, electrolyte decomposition on model electrode surfaces (Au and Sn) was investigated by in situ attenuated total reflection-Fourier transform infrared (ATR-FTIR) spectroscopy. Simultaneously obtained ATR-FTIR spectra and cyclic voltammetry measurements show that lithium ethylene dicarbonate and lithium propionate form on the Au electrode at 0.6 V, whereas diethyl 2,5-dioxahexane dicarboxylate and lithium propionate form on the Sn electrode surface at 1.25 V. A noncatalytic reduction path on the Au surface and a catalytic reduction path on the Sn surface are introduced to explain the surface dependence of the overpotential and product selectivity. This represents a new concept for explaining electrolyte reactions on the anode of LIBs. The present investigation shows that catalysis plays a dominant role in the electrolyte decomposition process and has important implications in electrode surface modification and electrolyte recipe selection, which are critical factors for enhancing the efficiency, durability, and reliability of LIBs.

  17. Application of micro-attenuated total reflectance Fourier transform infrared spectroscopy to ink examination in signatures written with ballpoint pen on questioned documents.

    Science.gov (United States)

    Nam, Yun Sik; Park, Jin Sook; Lee, Yeonhee; Lee, Kang-Bong

    2014-05-01

    Questioned documents examined in a forensic laboratory sometimes contain signatures written with ballpoint pen inks; these signatures were examined to assess the feasibility of micro-attenuated total reflectance (ATR) Fourier transform infrared (FTIR) spectroscopy as a forensic tool. Micro-ATR FTIR spectra for signatures written with 63 ballpoint pens available commercially in Korea were obtained and used to construct an FTIR spectral database. A library-searching program was utilized to identify the manufacturer, blend, and model of each black ballpoint pen ink based upon their FTIR peak intensities, positions, and patterns in the spectral database. This FTIR technique was also successfully used in determining the sequence of homogeneous line intersections from the crossing lines of two ballpoint pen signatures. We have demonstrated with a set of sample documents that micro-ATR FTIR is a viable nondestructive analytical method that can be used to identify the origin of the ballpoint pen ink used to mark signatures. © 2014 American Academy of Forensic Sciences.

  18. Application of multivariate chemometric techniques for simultaneous determination of five parameters of cottonseed oil by single bounce attenuated total reflectance Fourier transform infrared spectroscopy.

    Science.gov (United States)

    Talpur, M Younis; Kara, Huseyin; Sherazi, S T H; Ayyildiz, H Filiz; Topkafa, Mustafa; Arslan, Fatma Nur; Naz, Saba; Durmaz, Fatih; Sirajuddin

    2014-11-01

    Single bounce attenuated total reflectance (SB-ATR) Fourier transform infrared (FTIR) spectroscopy in conjunction with chemometrics was used for accurate determination of free fatty acid (FFA), peroxide value (PV), iodine value (IV), conjugated diene (CD) and conjugated triene (CT) of cottonseed oil (CSO) during potato chips frying. Partial least square (PLS), stepwise multiple linear regression (SMLR), principal component regression (PCR) and simple Beer׳s law (SBL) were applied to develop the calibrations for simultaneous evaluation of five stated parameters of cottonseed oil (CSO) during frying of French frozen potato chips at 170°C. Good regression coefficients (R(2)) were achieved for FFA, PV, IV, CD and CT with value of >0.992 by PLS, SMLR, PCR, and SBL. Root mean square error of prediction (RMSEP) was found to be less than 1.95% for all determinations. Result of the study indicated that SB-ATR FTIR in combination with multivariate chemometrics could be used for accurate and simultaneous determination of different parameters during the frying process without using any toxic organic solvent. Copyright © 2014 Elsevier B.V. All rights reserved.

  19. A Catalytic Path for Electrolyte Reduction in Lithium-Ion Cells Revealed by in Situ Attenuated Total Reflection-Fourier Transform Infrared Spectroscopy

    KAUST Repository

    Shi, Feifei

    2015-03-11

    © 2015 American Chemical Society. Although controlling the interfacial chemistry of electrodes in Li-ion batteries (LIBs) is crucial for maintaining the reversibility, electrolyte decomposition has not been fully understood. In this study, electrolyte decomposition on model electrode surfaces (Au and Sn) was investigated by in situ attenuated total reflection-Fourier transform infrared (ATR-FTIR) spectroscopy. Simultaneously obtained ATR-FTIR spectra and cyclic voltammetry measurements show that lithium ethylene dicarbonate and lithium propionate form on the Au electrode at 0.6 V, whereas diethyl 2,5-dioxahexane dicarboxylate and lithium propionate form on the Sn electrode surface at 1.25 V. A noncatalytic reduction path on the Au surface and a catalytic reduction path on the Sn surface are introduced to explain the surface dependence of the overpotential and product selectivity. This represents a new concept for explaining electrolyte reactions on the anode of LIBs. The present investigation shows that catalysis plays a dominant role in the electrolyte decomposition process and has important implications in electrode surface modification and electrolyte recipe selection, which are critical factors for enhancing the efficiency, durability, and reliability of LIBs.

  20. Multielement analysis of environmental samples by total-reflection X-ray fluorescence sprectrometry, neutron activation analysis and inductively coupled plasma optical emission spectroscopy

    International Nuclear Information System (INIS)

    Michaelis, W.

    1986-01-01

    In environmental research and protection trace elements have to be determined over a wide range of atomic number, down to very low concentrations, and in quite different matrices. This challenge requires the availability of complementary analytical methods characterized by a high detection power and few sources of systematic errors. Besides, the capacity of multielement detection is often desired since it facilitates the talking of many problems in which numerous trace elements are of direct concern. Total-reflection X-ray fluorescence, neutron activation analysis and inductively coupled plasma optical emission spectroscopy, in principle fulfill these requirements quite well. However, each method has its domain, and the application to certain sample species may be less promising. Under this aspect, the paper summarizes some recent developments and investigations, including intercomparisons as far as possible. Various matrices are considered : rainwater and airborne particulates, soil samples, river sediments and suspended particulate matter, river water filtrates, ozean water, and organic matrices. Capabilities and limitations are discussed. Sample preparation techniques are described if they are new or essential for achieving the results given. (orig.) [de

  1. Adsorption of water and butanol in silicalite-1 film studied with in situ attenuated total reflectance-Fourier transform infrared spectroscopy.

    Science.gov (United States)

    Farzaneh, Amirfarrokh; Zhou, Ming; Potapova, Elisaveta; Bacsik, Zoltán; Ohlin, Lindsay; Holmgren, Allan; Hedlund, Jonas; Grahn, Mattias

    2015-05-05

    Biobutanol produced by, e.g., acetone-butanol-ethanol (ABE) fermentation is a promising alternative to petroleum-based chemicals as, e.g., solvent and fuel. Recovery of butanol from dilute fermentation broths by hydrophobic membranes and adsorbents has been identified as a promising route. In this work, the adsorption of water and butanol vapor in a silicalite-1 film was studied using in situ attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy to better understand the adsorption properties of silicalite-1 membranes and adsorbents. Single-component adsorption isotherms were determined in the temperature range of 35-120 °C, and the Langmuir model was successfully fitted to the experimental data. The adsorption of butanol is very favorable compared to that of water. When the silicalite-1 film was exposed to a butanol/water vapor mixture with 15 mol % butanol (which is the vapor composition of an aqueous solution containing 2 wt % butanol, a typical concentration in an ABE fermentation broth, i.e., the composition of the gas obtained from gas stripping of an ABE broth) at 35 °C, the adsorption selectivity toward butanol was as high as 107. These results confirm that silicalite-1 quite selectively adsorbs hydrocarbons from vapor mixtures. To the best of our knowledge, this is the first comprehensive study on the adsorption of water and butanol in silicalite-1 from vapor phase.

  2. Capabilities and limitations of handheld Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS) for the analysis of colourants and binders in 20th-century reverse paintings on glass

    Science.gov (United States)

    Steger, Simon; Stege, Heike; Bretz, Simone; Hahn, Oliver

    2018-04-01

    A non-invasive method has been carried out to show the capabilities and limitations of Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS) for identifying of colourants and binders in modern reverse glass paintings. For this purpose, the reverse glass paintings "Zwei Frauen am Tisch" (1920-22), "Bäume" (1946) (both by Heinrich Campendonk), "Lofoten" (1933) (Edith Campendonk-van Leckwyck) and "Ohne Titel" (1954) (Marianne Uhlenhuth), were measured. In contrast to other techniques (e.g. panel and mural painting), the paint layers are applied in reverse succession. In multi-layered paint systems, the front paint layer may no longer be accessible. The work points out the different spectral appearance of a given substance (gypsum, basic lead white) in reverse glass paintings. However, inverted bands, band overlapping and derivative-shaped spectral features can be interpreted by comparing the spectra from the paintings with spectra from pure powders and pigment/linseed oil mock-ups. Moreover, the work focuses on this method's capabilities in identifying synthetic organic pigments (SOP). Reference spectra of three common SOP (PG7, PY1, PR83) were obtained from powders and historical colour charts. We identified PR83 and PY1 in two reverse glass paintings, using the measured reference spectra. The recorded DRIFTS spectra of pure linseed oil, gum Arabic, mastic, polyvinyl acetate resin and bees wax can be used to classify the binding media of the measured paintings.

  3. Direct and simultaneous quantification of tannin mean degree of polymerization and percentage of galloylation in grape seeds using diffuse reflectance fourier transform-infrared spectroscopy.

    Science.gov (United States)

    Pappas, Christos; Kyraleou, Maria; Voskidi, Eleni; Kotseridis, Yorgos; Taranilis, Petros A; Kallithraka, Stamatina

    2015-02-01

    The direct and simultaneous quantitative determination of the mean degree of polymerization (mDP) and the degree of galloylation (%G) in grape seeds were quantified using diffuse reflectance infrared Fourier transform spectroscopy and partial least squares (PLS). The results were compared with those obtained using the conventional analysis employing phloroglucinolysis as pretreatment followed by high performance liquid chromatography-UV and mass spectrometry detection. Infrared spectra were recorded in solid state samples after freeze drying. The 2nd derivative of the 1832 to 1416 and 918 to 739 cm(-1) spectral regions for the quantification of mDP, the 2nd derivative of the 1813 to 607 cm(-1) spectral region for the degree of %G determination and PLS regression were used. The determination coefficients (R(2) ) of mDP and %G were 0.99 and 0.98, respectively. The corresponding values of the root-mean-square error of calibration were found 0.506 and 0.692, the root-mean-square error of cross validation 0.811 and 0.921, and the root-mean-square error of prediction 0.612 and 0.801. The proposed method in comparison with the conventional method is simpler, less time consuming, more economical, and requires reduced quantities of chemical reagents and fewer sample pretreatment steps. It could be a starting point for the design of more specific models according to the requirements of the wineries. © 2015 Institute of Food Technologists®

  4. Direct band gap measurement of Cu(In,Ga)(Se,S)2 thin films using high-resolution reflection electron energy loss spectroscopy

    International Nuclear Information System (INIS)

    Heo, Sung; Lee, Hyung-Ik; Park, Jong-Bong; Ko, Dong-Su; Chung, JaeGwan; Kim, KiHong; Kim, Seong Heon; Yun, Dong-Jin; Ham, YongNam; Park, Gyeong Su; Song, Taewon; Lee, Dongho; Nam, Junggyu; Kang, Hee Jae; Choi, Pyung-Ho; Choi, Byoung-Deog

    2015-01-01

    To investigate the band gap profile of Cu(In 1−x ,Ga x )(Se 1−y S y ) 2 of various compositions, we measured the band gap profile directly as a function of in-depth using high-resolution reflection energy loss spectroscopy (HR-REELS), which was compared with the band gap profile calculated based on the auger depth profile. The band gap profile is a double-graded band gap as a function of in-depth. The calculated band gap obtained from the auger depth profile seems to be larger than that by HR-REELS. Calculated band gaps are to measure the average band gap of the spatially different varying compositions with respect to considering its void fraction. But, the results obtained using HR-REELS are to be affected by the low band gap (i.e., out of void) rather than large one (i.e., near void). Our findings suggest an analytical method to directly determine the band gap profile as function of in-depth

  5. Prediction of purine derivatives, creatinine and total nitrogen concentrations in urine by FT-Near-lnfrared Reflectance spectroscopy (FT-NIR)

    International Nuclear Information System (INIS)

    Susmel, P.; Piani, B.; Toso, B.; Stefanon, B.

    2004-01-01

    The objective of this study was to provide an alternative method for the determination of purine derivatives (PD, which include allantoin, uric acid, hypoxanthine and xanthine), creatinine and total nitrogen (N) concentrations in urine. About 180 urine samples from cattle, buffaloes and rabbit were collected and analyzed for PD by HPLC, creatinine by spectrophotometry and N by Kjeldahl method. The urine samples were then analyzed by Fourier Transformed Near Infrared Reflectance Spectroscopy (FT-NIR) to find conformity between this technique and the HPLC and colorimetric methods. FT-NIR can predict allantoin, uric acid, hypoxanthine, xanthine, creatinine, total N and sum of N in both allantoin and uric acid with a satisfactory level of accuracy: the determination coefficient (r 2 ) of validation ranged from 0.888% for uric acid to 0.982% for total N. The coefficients of determination for allantoin, creatinine and sum of N in both allantoin and uric acid were 0.92, 0.894 and 0.90%, respectively. Hypoxanthine and xanthine in urine samples were not detectable by NIRS, probably because of their low concentrations, and therefore they were not considered for instrumental calibration. (author)

  6. Direct band gap measurement of Cu(In,Ga)(Se,S){sub 2} thin films using high-resolution reflection electron energy loss spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Heo, Sung [Analytical Engineering Group, Samsung Advanced Institute of Technology, 130 Samsung-ro, Yeongtong-gu, Suwon-si, Gyeonggi-do 443-803 (Korea, Republic of); College of Information and Communication Engineering, Sungkyunkwan University, Cheoncheon-dong 300, Jangan-gu, Suwon 440-746 (Korea, Republic of); Lee, Hyung-Ik; Park, Jong-Bong; Ko, Dong-Su; Chung, JaeGwan; Kim, KiHong; Kim, Seong Heon; Yun, Dong-Jin; Ham, YongNam; Park, Gyeong Su [Analytical Engineering Group, Samsung Advanced Institute of Technology, 130 Samsung-ro, Yeongtong-gu, Suwon-si, Gyeonggi-do 443-803 (Korea, Republic of); Song, Taewon [Energy lab, Samsung Advanced Institute of Technology, 130 Samsung-ro, Yeongtong-gu, Suwon-si, Gyeonggi-do 443-803 (Korea, Republic of); Lee, Dongho, E-mail: dhlee0333@gmail.com; Nam, Junggyu [PV Development Team, Energy Solution Business Division, Samsung SDI, 467 Beonyeong-ro, Cheonan-si, Chungcheongnam-do 331-330 (Korea, Republic of); Kang, Hee Jae [Department of Physics, Chungbuk National University, Gaesin-dong, Heungdeok-gu, Cheongju, 361-763 (Korea, Republic of); Choi, Pyung-Ho; Choi, Byoung-Deog, E-mail: bdchoi@skku.edu [College of Information and Communication Engineering, Sungkyunkwan University, Cheoncheon-dong 300, Jangan-gu, Suwon 440-746 (Korea, Republic of)

    2015-06-29

    To investigate the band gap profile of Cu(In{sub 1−x},Ga{sub x})(Se{sub 1−y}S{sub y}){sub 2} of various compositions, we measured the band gap profile directly as a function of in-depth using high-resolution reflection energy loss spectroscopy (HR-REELS), which was compared with the band gap profile calculated based on the auger depth profile. The band gap profile is a double-graded band gap as a function of in-depth. The calculated band gap obtained from the auger depth profile seems to be larger than that by HR-REELS. Calculated band gaps are to measure the average band gap of the spatially different varying compositions with respect to considering its void fraction. But, the results obtained using HR-REELS are to be affected by the low band gap (i.e., out of void) rather than large one (i.e., near void). Our findings suggest an analytical method to directly determine the band gap profile as function of in-depth.

  7. Study of inhomogeneous solid adlayers at electrolyte-solid interfaces using differential reflectance spectroscopy. Progress report, July 1, 1977--February 28, 1978

    International Nuclear Information System (INIS)

    Sari, S.O.

    1978-03-01

    Differential reflectance spectroscopy has been used to study interactions at liquid-solid and air-solid interfaces. The aim is to examine a number of properties of adsorbed solid and molecular interlayers formed at such boundaries. Differential optical techniques have not previously been used to a large degree to investigate details of interfacial properties. However, in conjunction with x-ray and electron analysis these approaches are important for examining both electronic structure and adsorption-adhesion mechanics of surface coverings even if these are only a few atomic diameters in thickness. Such layers are induced in experiments by electronic circuitry devised to add or subtract controlled amounts of adlayer through reactions at electrolyte-solid interfaces. The purpose is to supply new information of a basic nature concerning interfacial properties. This can be important since crystal phases of some materials exist only in thin surface coverings. Thus, a connection of this work may well be important to new thin-layer technology. Moreover, an important relation seems well established to problems in solar energy. It is known, for example, that interfacial layers modify gas evolution at some electrolyte-oxide boundaries and thus their study is closely relevant to improvement of some new fuel production schemes

  8. Attenuated Total Reflectance-Fourier Transform Infrared Spectroscopy on Intact Dried Leaves of Sage (Salvia officinalis L.): Accelerated Chemotaxonomic Discrimination and Analysis of Essential Oil Composition.

    Science.gov (United States)

    Gudi, Gennadi; Krähmer, Andrea; Krüger, Hans; Schulz, Hartwig

    2015-10-07

    Sage (Salvia officinalis L.) is cultivated worldwide for its aromatic leaves, which are used as herbal spice, and for phytopharmaceutical applications. Fast analytical strategies for essential oil analysis, performed directly on plant material, would reduce the delay between sampling and analytical results. This would enhance product quality by improving technical control of cultivation. The attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR) method described here provides a reliable calibration model for quantification of essential oil components [EOCs; R(2) = 0.96; root-mean-square error of cross-validation (RMSECV) = 0.249 mL 100 g(-1) of dry matter (DM); and range = 1.115-5.280 mL 100 g(-1) of DM] and main constituents [e.g., α-thujone/β-thujone; R(2) = 0.97/0.86; RMSECV = 0.0581/0.0856 mL 100 g(-1) of DM; and range = 0.010-1.252/0.005-0.893 mL 100 g(-1) of DM] directly on dried intact leaves of sage. Except for drying, no further sample preparation is required for ATR-FTIR, and the measurement time of less than 5 min per sample contrasts with the most common alternative of hydrodistillation followed by gas chromatography analysis, which can take several hours per sample.

  9. Spectral Mining for Discriminating Blood Origins in the Presence of Substrate Interference via Attenuated Total Reflection Fourier Transform Infrared Spectroscopy: Postmortem or Antemortem Blood?

    Science.gov (United States)

    Takamura, Ayari; Watanabe, Ken; Akutsu, Tomoko; Ikegaya, Hiroshi; Ozawa, Takeaki

    2017-09-19

    Often in criminal investigations, discrimination of types of body fluid evidence is crucially important to ascertain how a crime was committed. Compared to current methods using biochemical techniques, vibrational spectroscopic approaches can provide versatile applicability to identify various body fluid types without sample invasion. However, their applicability is limited to pure body fluid samples because important signals from body fluids incorporated in a substrate are affected strongly by interference from substrate signals. Herein, we describe a novel approach to recover body fluid signals that are embedded in strong substrate interferences using attenuated total reflection Fourier transform infrared (ATR FT-IR) spectroscopy and an innovative multivariate spectral processing. This technique supported detection of covert features of body fluid signals, and then identified origins of body fluid stains on substrates. We discriminated between ATR FT-IR spectra of postmortem blood (PB) and those of antemortem blood (AB) by creating a multivariate statistics model. From ATR FT-IR spectra of PB and AB stains on interfering substrates (polyester, cotton, and denim), blood-originated signals were extracted by a weighted linear regression approach we developed originally using principal components of both blood and substrate spectra. The blood-originated signals were finally classified by the discriminant model, demonstrating high discriminant accuracy. The present method can identify body fluid evidence independently of the substrate type, which is expected to promote the application of vibrational spectroscopic techniques in forensic body fluid analysis.

  10. Quantitative determination of polyphosphate in sediments using Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR) spectroscopy and partial least squares regression.

    Science.gov (United States)

    Khoshmanesh, Aazam; Cook, Perran L M; Wood, Bayden R

    2012-08-21

    Phosphorus (P) is a major cause of eutrophication and subsequent loss of water quality in freshwater ecosystems. A major part of the flux of P to eutrophic lake sediments is organically bound or of biogenic origin. Despite the broad relevance of polyphosphate (Poly-P) in bioremediation and P release processes in the environment, its quantification is not yet well developed for sediment samples. Current methods possess significant disadvantages because of the difficulties associated with using a single extractant to extract a specific P compound without altering others. A fast and reliable method to estimate the quantitative contribution of microorganisms to sediment P release processes is needed, especially when an excessive P accumulation in the form of polyphosphate (Poly-P) occurs. Development of novel approaches for application of emerging spectroscopic techniques to complex environmental matrices such as sediments significantly contributes to the speciation models of P mobilization, biogeochemical nutrient cycling and development of nutrient models. In this study, for the first time Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR) spectroscopy in combination with partial least squares (PLS) was used to quantify Poly-P in sediments. To reduce the high absorption matrix components in sediments such as silica, a physical extraction method was developed to separate sediment biological materials from abiotic particles. The aim was to achieve optimal separation of the biological materials from sediment abiotic particles with minimum chemical change in the sample matrix prior to ATR-FTIR analysis. Using a calibration set of 60 samples for the PLS prediction models in the Poly-P concentration range of 0-1 mg g(-1) d.w. (dry weight of sediment) (R(2) = 0.984 and root mean square error of prediction RMSEP = 0.041 at Factor-1) Poly-P could be detected at less than 50 μg g(-l) d.w. Using this technique, there is no solvent extraction or chemical

  11. The structure of oleamide films at the aluminum/oil interface and aluminum/air interface studied by Sum Frequency Generation (SFG) vibrational spectroscopy and Reflection Absorption Infrared Spectroscopy (RAIRS).

    Science.gov (United States)

    Casford, Michael T L; Davies, Paul B

    2009-08-01

    The structure of oleamide (cis-9-octadecenamide) films on aluminum has been investigated by sum frequency generation vibrational spectroscopy (SFG) and reflection absorption infrared spectroscopy (RAIRS). Three different film deposition strategies were investigated: (i) films formed by equilibrium adsorption from oleamide solutions in oil, (ii) Langmuir-Blodgett films cast at 1 and 25 mN m(-1), (iii) thick spin-cast films. Both L-B and spin-cast films were examined in air and under oil. The adsorbate formed in the 1 mN m(-1) film in air showed little orientational order. For this film, the spectroscopic results and the ellipsometric thickness point to a relatively conformationally disordered monolayer that is oriented principally in the plane of the interface. Direct adsorption to the metal interface from oil results in SFG spectra of oleamide that are comparable to those observed for the 1 mN m(-1) L-B film in air. In contrast, SFG and RAIRS results for the 25 mN m(-1) film in air and SFG spectra of the spin-cast film in air both show strong conformational ordering and orientational alignment normal to the interface. The 25 mN m(-1) film has an ellipsometric thickness almost twice that of the 1 mN m(-1) L-B film. Taken in combination with the spectroscopic results, this is indicative of a well packed monolayer in air in which the hydrocarbon chain is in an essentially defect-free extended conformation with the methyl terminus oriented away from the surface. A similar structure is also deduced for the surface of the spin-cast film in air. Upon immersion of the 25 mN m(-1) L-B film in oil the SFG spectra show that this film rapidly adopts a relatively disordered structure similar to that seen for the 1 mN m(-1) L-B film in air. Immersion of the spin-cast film in oil results in the gradual disordering of the amide film over a period of several days until the observed spectra become essentially identical to those observed for direct adsorption of oleamide from oil.

  12. Electrochemical, atomic force microscopy and infrared reflection absorption spectroscopy studies of pre-formed mussel adhesive protein films on carbon steel for corrosion protection

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Fan, E-mail: fanzhang@kth.se [KTH Royal Institute of Technology, School of Chemical Science and Engineering, Department of Chemistry, Div. of Surface and Corrosion Science, Drottning Kristinas vaeg.51, SE-100 44 Stockholm (Sweden); Pan, Jinshan [KTH Royal Institute of Technology, School of Chemical Science and Engineering, Department of Chemistry, Div. of Surface and Corrosion Science, Drottning Kristinas vaeg.51, SE-100 44 Stockholm (Sweden); Claesson, Per Martin [KTH Royal Institute of Technology, School of Chemical Science and Engineering, Department of Chemistry, Div. of Surface and Corrosion Science, Drottning Kristinas vaeg.51, SE-100 44 Stockholm (Sweden); Institute for Surface Chemistry, P.O. Box 5607, SE-114 86 Stockholm (Sweden); Brinck, Tore [KTH Royal Institute of Technology, School of Chemical Science and Engineering, Department of Physical Chemistry, Division of Physical Chemistry, Teknikringen 36, SE-10044 Stockholm (Sweden)

    2012-10-01

    Electrochemical measurements, in situ and ex situ atomic force microscopy (AFM) experiments and infrared reflection absorption spectroscopy (IRAS) analysis were performed to investigate the formation and stability as well as corrosion protection properties of mussel adhesive protein (Mefp-1) films on carbon steel, and the influence of cross-linking by NaIO{sub 4} oxidation. The in situ AFM measurements show flake-like adsorbed protein aggregates in the film formed at pH 9. The ex situ AFM images indicate multilayer-like films and that the film becomes more compact and stable in NaCl solution after the cross-linking. The IRAS results reveal the absorption bands of Mefp-1 on carbon steel before and after NaIO{sub 4} induced oxidation of the pre-adsorbed protein. Within a short exposure time, a certain corrosion protection effect was noted for the pre-formed Mefp-1 film in 0.1 M NaCl solution. Cross-linking the pre-adsorbed film by NaIO{sub 4} oxidation significantly enhanced the protection efficiency by up to 80%. - Highlights: Black-Right-Pointing-Pointer Mussel protein was tested as 'green' corrosion protection strategy for steel. Black-Right-Pointing-Pointer At pH 9, the protein adsorbs on carbon steel and forms a multilayer-like film. Black-Right-Pointing-Pointer NaIO{sub 4} leads to structural changes and cross-linking of the protein film. Black-Right-Pointing-Pointer Cross-linking results in a dense and compact film with increased stability. Black-Right-Pointing-Pointer Cross-linking of preformed film significantly enhances the corrosion protection.

  13. DEVELOPING ATMOSPHERIC RETRIEVAL METHODS FOR DIRECT IMAGING SPECTROSCOPY OF GAS GIANTS IN REFLECTED LIGHT. I. METHANE ABUNDANCES AND BASIC CLOUD PROPERTIES

    Energy Technology Data Exchange (ETDEWEB)

    Lupu, Roxana E. [BAER Institute/NASA Ames Research Center, Moffet Field, CA 94035 (United States); Marley, Mark S.; Zahnle, Kevin [NASA Ames Research Center, Moffet Field, CA 94035 (United States); Lewis, Nikole [Space Telescope Science Institute, 3700 San Martin Drive, Baltimore, MD 21218 (United States); Line, Michael [Univ. California at Santa Cruz, 1156 High Street, Santa Cruz, CA 95064 (United States); Traub, Wesley A., E-mail: Roxana.E.Lupu@nasa.gov [Jet Propulsion Laboratory, California Institute of Technology, 4800 Oak Grove Drive, Pasadena, CA 91109 (United States)

    2016-12-01

    Upcoming space-based coronagraphic instruments in the next decade will perform reflected light spectroscopy and photometry of cool directly imaged extrasolar giant planets. We are developing a new atmospheric retrieval methodology to help assess the science return and inform the instrument design for such future missions, and ultimately interpret the resulting observations. Our retrieval technique employs a geometric albedo model coupled with both a Markov chain Monte Carlo Ensemble Sampler ( emcee ) and a multimodal nested sampling algorithm ( MultiNest ) to map the posterior distribution. This combination makes the global evidence calculation more robust for any given model and highlights possible discrepancies in the likelihood maps. As a proof of concept, our current atmospheric model contains one or two cloud layers, methane as a major absorber, and a H{sub 2}–He background gas. This 6-to-9 parameter model is appropriate for Jupiter-like planets and can be easily expanded in the future. In addition to deriving the marginal likelihood distribution and confidence intervals for the model parameters, we perform model selection to determine the significance of methane and cloud detection as a function of expected signal-to-noise ratio in the presence of spectral noise correlations. After internal validation, the method is applied to realistic spectra of Jupiter, Saturn, and HD 99492c, a model observing target. We find that the presence or absence of clouds and methane can be determined with high confidence, while parameter uncertainties are model dependent and correlated. Such general methods will also be applicable to the interpretation of direct imaging spectra of cloudy terrestrial planets.

  14. Measurement of conjugated linoleic acid (CLA) in CLA-rich soy oil by attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR).

    Science.gov (United States)

    Kadamne, Jeta V; Jain, Vishal P; Saleh, Mohammed; Proctor, Andrew

    2009-11-25

    Conjugated linoleic acid (CLA) isomers in oils are currently measured as fatty acid methyl esters by a gas chromatography-flame ionization detector (GC-FID) technique, which requires approximately 2 h to complete the analysis. Hence, we aim to develop a method to rapidly determine CLA isomers in CLA-rich soy oil. Soy oil with 0.38-25.11% total CLA was obtained by photo-isomerization of 96 soy oil samples for 24 h. A sample was withdrawn at 30 min intervals with repeated processing using a second batch of oil. Six replicates of GC-FID fatty acid analysis were conducted for each oil sample. The oil samples were scanned using attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR), and the spectrum was collected. Calibration models were developed using partial least-squares (PLS-1) regression using Unscrambler software. Models were validated using a full cross-validation technique and tested using samples that were not included in the calibration sample set. Measured and predicted total CLA, trans,trans CLA isomers, total mono trans CLA isomers, trans-10,cis-12 CLA, trans-9,cis-11 CLA and cis-10,trans-12 CLA, and cis-9,trans-11 CLA had cross-validated coefficients of determinations (R2v) of 0.97, 0.98, 0.97, 0.98, 0.97, and 0.99 and corresponding root-mean-square error of validation (RMSEV) of 1.14, 0.69, 0.27, 0.07, 0.14, and 0.07% CLA, respectively. The ATR-FTIR technique is a rapid and less expensive method for determining CLA isomers in linoleic acid photo-isomerized soy oil than GC-FID.

  15. Adsorption of benzyldimethylhexadecylammonium chloride at the hydrophobic silica-water interface studied by total internal reflection Raman spectroscopy: effects of silica surface properties and metal salt addition.

    Science.gov (United States)

    Grenoble, Zlata; Baldelli, Steven

    2013-08-29

    The adsorption of the cationic surfactant benzyldimethylhexadecylammonium (BDMHA(+)) chloride was studied at an octadecyltrichlorosilane (OTS)-monolayer-modified silica-water interface by Raman spectroscopy in total internal reflection (TIR) geometry. The present study demonstrates the capabilities of this spectroscopic technique to evaluate thermodynamic and kinetic BDMHA(+)Cl(-) adsorption properties at the hydrophobic silica surface. The surface coverage of BDMHA(+) decreased by 50% at the hydrophobic OTS-silica surface relative to the surface coverage on bare silica; the dominating driving mechanisms for surfactant adsorption were identified as hydrophobic effects and head group charge screening by the electrolyte counterions. Addition of magnesium metal salt (MgCl2) to the aqueous solution (∼ neutral pH) lowered the surface coverage and moderately increased the Langmuir adsorption constants relative to those of the pure surfactant. These trends were previously observed at the hydrophilic, negatively charged silica surface but with a smaller change in the Gibbs free energy of adsorption at the hydrophobic silica surface. The hydrophobic OTS-silica surface properties resulted in shorter times for the surfactant to reach steady-state adsorption conditions compared to the slow adsorption kinetics previously seen with the surfactant at the hydrophilic surface. Adsorption isotherms, based on Raman signal intensities from spectral analysis, were developed according to the Langmuir adsorption model for the pure surfactant at the OTS-silica-water interface; the modified Langmuir model was applied to the surfactant adsorption in the presence of 5, 10, 50, and 100 mM magnesium chloride. Spectral analysis of the Raman scattering intensities and geometric considerations suggests a hemimicelle-type surface aggregate as the most likely surfactant structure at the OTS-silica surface. The different kinetics observed at the hydrophilic versus the hydrophobic silica surface

  16. Single-Fiber Reflectance Spectroscopy of Isotropic-Scattering Medium: An Analytic Perspective to the Ratio-of-Remission in Steady-State Measurements

    Directory of Open Access Journals (Sweden)

    Daqing Piao

    2014-12-01

    Full Text Available Recent focused Monte Carlo and experimental studies on steady-state single-fiber reflectance spectroscopy (SfRS from a biologically relevant scattering medium have revealed that, as the dimensionless reduced scattering of the medium increases, the SfRS intensity increases monotonically until reaching a plateau. The SfRS signal is semi-empirically decomposed to the product of three contributing factors, including a ratio-of-remission (RoR term that refers to the ratio of photons remitting from the medium and crossing the fiber-medium interface over the total number of photons launched into the medium. The RoR is expressed with respect to the dimensionless reduced scattering parameter , where  is the reduced scattering coefficient of the medium and  is the diameter of the probing fiber. We develop in this work, under the assumption of an isotropic-scattering medium, a method of analytical treatment that will indicate the pattern of RoR as a function of the dimensionless reduced scattering of the medium. The RoR is derived in four cases, corresponding to in-medium (applied to interstitial probing of biological tissue or surface-based (applied to contact-probing of biological tissue SfRS measurements using straight-polished or angle-polished fiber. The analytically arrived surface-probing RoR corresponding to single-fiber probing using a 15° angle-polished fiber over the range of  agrees with previously reported similarly configured experimental measurement from a scattering medium that has a Henyey–Greenstein scattering phase function with an anisotropy factor of 0.8. In cases of a medium scattering light anisotropically, we propose how the treatment may be furthered to account for the scattering anisotropy using the result of a study of light scattering close to the point-of-entry by Vitkin et al. (Nat. Commun. 2011, doi:10.1038/ncomms1599.

  17. Estimates of diet selection in cattle grazing cornstalk residues by measurement of chemical composition and near infrared reflectance spectroscopy of diet samples collected by ruminal evacuation.

    Science.gov (United States)

    Petzel, Emily A; Smart, Alexander J; St-Pierre, Benoit; Selman, Susan L; Bailey, Eric A; Beck, Erin E; Walker, Julie A; Wright, Cody L; Held, Jeffrey E; Brake, Derek W

    2018-05-04

    Six ruminally cannulated cows (570 ± 73 kg) fed corn residues were placed in a 6 × 6 Latin square to evaluate predictions of diet composition from ruminally collected diet samples. After complete ruminal evacuation, cows were fed 1-kg meals (dry matter [DM]-basis) containing different combinations of cornstalk and leaf and husk (LH) residues in ratios of 0:100, 20:80, 40:60, 60:40, 80:20, and 100:0. Diet samples from each meal were collected by removal of ruminal contents after 1-h and were either unrinsed, hand-rinsed or machine-rinsed to evaluate effects of endogenous compounds on predictions of diet composition. Diet samples were analyzed for neutral (NDF) and acid (ADF) detergent fiber, acid detergent insoluble ash (ADIA), acid detergent lignin (ADL), crude protein (CP), and near infrared reflectance spectroscopy (NIRS) to calculate diet composition. Rinsing type increased NDF and ADF content and decreased ADIA and CP content of diet samples (P content of diet samples. Differences in concentration between cornstalk and LH residues within each chemical component were standardized by calculating a coefficient of variation (CV). Accuracy and precision of estimates of diet composition were analyzed by regressing predicted diet composition and known diet composition. Predictions of diet composition were improved by increasing differences in concentration of chemical components between cornstalk and LH residues up to a CV of 22.6 ± 5.4%. Predictions of diet composition from unrinsed ADIA and machine-rinsed NIRS had the greatest accuracy (slope = 0.98 and 0.95, respectively) and large coefficients of determination (r2 = 0.86 and 0.74, respectively). Subsequently, a field study (Exp. 2) was performed to evaluate predictions of diet composition in cattle (646 ± 89 kg) grazing corn residue. Five cows were placed in 1 of 10 paddocks and allowed to graze continuously or to strip-graze corn residues. Predictions of diet composition from ADIA, ADL, and NIRS did not

  18. Simple and Rapid Quantification of Total Carotenoids in Lyophilized Apricots (Prunus armeniaca L. by Means of Reflectance Colorimetry and Photoacoustic Spectroscopy

    Directory of Open Access Journals (Sweden)

    Gitta Ficzek

    2013-01-01

    Full Text Available Photoacoustic spectroscopy (PAS and reflectance colorimetry are suggested as new tools for the analysis of total carotenoids in lyophilized apricot powders. The data obtained by these two techniques from seven apricot cultivars were compared to those acquired by spectrophotometry and high-performance liquid chromatography (HPLC. Best correlations were found between the total carotenoid (TC content (obtained by VIS spectrophotometry: 1.2–3.4 mg per 100 g of fresh mass and colorimetric index a* (a* represents the redness of the investigated sample, as well as either argon-ion laser- or xenon-lamp-based PAS. In all three cases linear correlations were comparable. However, according to the sensitivity and precision data, expressed via limit of detection (LOD and measurement repeatability, the Xe-lamp-based PAS is a preferred approach, followed by colorimetric index a* and Ar-ion laser PAS. Both PAS methods exhibit practically the same Pearson's correlation coefficient (R=0.987 and R=0.991 values. Nevertheless, residual sum of squares (RSS and residual standard deviation of the linear regression (sy/x differ markedly. For Xe-lamp-based PAS these parameters were much lower than in the case of Ar-ion laser PAS. Likewise, analysis imprecision amounted to relative standard deviation (RSD of 1–3 % for Xe-lamp PAS and 2–6 % for Ar-ion laser PAS. On the other hand, as expected, the calibration sensitivity achieved for the PAS signal induced by an Ar-ion laser at 481 nm was substantially higher than that of a Xe-lamp at 470 nm. Nevertheless, according to much lower sy/x, the corresponding LOD for Xe-lamp PAS was still two times lower than that of Ar-ion-based laser PAS (0.59 vs. 1.10 mg per 100 g. Unlike this, Ar-ion laser PAS showed more favourable instrumental precision and standard error of the weighed mean when compared to the Xe-lamp PAS (0.1–0.6 and 0.1–0.3 % vs. 0.5–8.0 and 0.4–1.7 %, respectively. As far as colorimetric indices are

  19. [Determination of Trace Lead in Water by UV-Visible Diffuse Reflectance Spectroscopy Combined with Surfactant and Membrane Filtration-Enrichment].

    Science.gov (United States)

    Zhang, Xiao-fang; Zhu, Bi-lin; Li, Wei; Wang, Lei; Zhang, Lei; Wu, Ting; Du, Yi-ping

    2015-07-01

    In this paper, a method of determination of trace lead in water by UV-Visible diffuse reflectance spectroscopy combined with surfactant and membrane filtration enrichment was proposed. In the NH3 x H2O-NH4Cl buffer solution with pH 8.5, the lead(II) ion would react with dithizone to form the red complex under vigorous stirring, which is hydrophobic and can be enriched by the mixed cellulose ester membrane. In addition, the nonionic surfactant Polyoxyethylene lauryl ether (Brij-30) was added into the solution to improve the enrichment efficiency, then visible diffuse reflectance spectra of the membrane were measured directly after the membrane were naturally dried. We also optimized the reaction conditions which may affect the complexation reaction process, such as type of surfactants, the concentration of the surfactant, the reaction acidity, the concentration of dithizone as well as the reaction time. The research results show that under the optimum conditions, a good linear correlation between absorbance at 485 nm and concentration of lead in the range of 5.0-100.0 microg x L(-1) was obtained with a squared correlation coefficient (R2) of 0.9906, and the detection limit was estimated accordingly to be 2.88 microg x L(-1). To determine real water sample, the interference from some potential coexisting ions was also studied at the optimal conditions when the concentration of lead (II) ion standard solution was fixed to 20 microg x L(-1). The results indicate that the following ions cannot interfere in the determination of lead with the proposed method: 500 times of the K+, Na+, Ca2+, Mg2+, NH4+, NO3-, Cl-, CH3COO-, SO4(2-); 10 times of the Al3+ (using 10% NaF as a masking reagent to avoid the interference); 10 times of the Fe3+ (using 10% NaF and 10% sodium potassium tartrate as masking reagents); 10 times of Hg2+ or Zn2+ (using 10% NaSCN and 10% potassium sodium tartrate as masking reagents); the same amount of Cd2+, Cu2+. The proposed method was applied to the

  20. The potential of mid- and near-infrared diffuse reflectance spectroscopy for determining major- and trace-element concentrations in soils from a geochemical survey of North America

    Science.gov (United States)

    Reeves, J. B.; Smith, D.B.

    2009-01-01

    In 2004, soils were collected at 220 sites along two transects across the USA and Canada as a pilot study for a planned soil geochemical survey of North America (North American Soil Geochemical Landscapes Project). The objective of the current study was to examine the potential of diffuse reflectance (DR) Fourier Transform (FT) mid-infrared (mid-IR) and near-infrared (NIRS) spectroscopy to reduce the need for conventional analysis for the determination of major and trace elements in such continental-scale surveys. Soil samples (n = 720) were collected from two transects (east-west across the USA, and north-south from Manitoba, Canada to El Paso, Texas (USA), n = 453 and 267, respectively). The samples came from 19 USA states and the province of Manitoba in Canada. They represented 31 types of land use (e.g., national forest, rangeland, etc.), and 123 different land covers (e.g., soybeans, oak forest, etc.). The samples represented a combination of depth-based sampling (0-5 cm) and horizon-based sampling (O, A and C horizons) with 123 different depths identified. The set was very diverse with few samples similar in land use, land cover, etc. All samples were analyzed by conventional means for the near-total concentration of 49 analytes (Ctotal, Ccarbonate and Corganic, and 46 major and trace elements). Spectra were obtained using dried, ground samples using a Digilab FTS-7000 FT spectrometer in the mid- (4000-400 cm-1) and near-infrared (10,000-4000 cm-1) at 4 cm-1 resolution (64 co-added scans per spectrum) using a Pike AutoDIFF DR autosampler. Partial least squares calibrations were develop using: (1) all samples as a calibration set; (2) samples evenly divided into calibration and validation sets based on spectral diversity; and (3) samples divided to have matching analyte concentrations in calibration and validation sets. In general, results supported the conclusion that neither mid-IR nor NIRS would be particularly useful in reducing the need for conventional

  1. To See the World in a Grain of Sand: Recognizing the Origin of Sand Specimens by Diffuse Reflectance Infrared Fourier Transform Spectroscopy and Multivariate Exploratory Data Analysis

    Science.gov (United States)

    Pezzolo, Alessandra De Lorenzi

    2011-01-01

    The diffuse reflectance infrared Fourier transform (DRIFT) spectra of sand samples exhibit features reflecting their composition. Basic multivariate analysis (MVA) can be used to effectively sort subsets of homogeneous specimens collected from nearby locations, as well as pointing out similarities in composition among sands of different origins.…

  2. Reflecting reflection in supervision

    DEFF Research Database (Denmark)

    Lystbæk, Christian Tang

    associated with reflection and an exploration of alternative conceptions that view reflection within the context of settings which have a more group- and team-based orientation. Drawing on an action research project on health care supervision, the paper questions whether we should reject earlier views...... of reflection, rehabilitate them in order to capture broader connotations or move to new ways of regarding reflection that are more in keeping with not only reflective but also emotive, normative and formative views on supervision. The paper presents a critical perspective on supervision that challenge...... the current reflective paradigm I supervision and relate this to emotive, normative and formative views supervision. The paper is relevant for Nordic educational research into the supervision and guidance...

  3. Implementation of 350-2500 nm diffuse reflectance spectroscopy and High-Performance Thin-Layer Chromatography to rapidly assess manufacturing consistency and quality of cotrimoxazole tablets in Tanzania.

    Science.gov (United States)

    Kaale, Eliangiringa; Hope, Samuel M; Jenkins, David; Layloff, Thomas

    2016-01-01

    To assess the quality of cotrimoxazole tablets produced by a Tanzanian manufacturer by a newly instituted quality assurance programme. Tablets underwent a diffuse reflectance spectroscopy procedure with periodic quality assessment confirmation by assay and dissolution testing using validated HPTLC techniques (including weight variation and disintegration evaluations). Based on results from the primary test methods, the first group of product was 99% compliance. This approach provides a model for rapidly assuring product quality of future procurements of other products that is more cost-effective than traditional pharmaceutical testing techniques. © 2015 John Wiley & Sons Ltd.

  4. Application of Attenuated Total Reflectance-Fourier Transformed Infrared (ATR-FTIR) Spectroscopy To Determine the Chlorogenic Acid Isomer Profile and Antioxidant Capacity of Coffee Beans.

    Science.gov (United States)

    Liang, Ningjian; Lu, Xiaonan; Hu, Yaxi; Kitts, David D

    2016-01-27

    The chlorogenic acid isomer profile and antioxidant activity of both green and roasted coffee beans are reported herein using ATR-FTIR spectroscopy combined with chemometric analyses. High-performance liquid chromatography (HPLC) quantified different chlorogenic acid isomer contents for reference, whereas ORAC, ABTS, and DPPH were used to determine the antioxidant activity of the same coffee bean extracts. FTIR spectral data and reference data of 42 coffee bean samples were processed to build optimized PLSR models, and 18 samples were used for external validation of constructed PLSR models. In total, six PLSR models were constructed for six chlorogenic acid isomers to predict content, with three PLSR models constructed to forecast the free radical scavenging activities, obtained using different chemical assays. In conclusion, FTIR spectroscopy, coupled with PLSR, serves as a reliable, nondestructive, and rapid analytical method to quantify chlorogenic acids and to assess different free radical-scavenging capacities in coffee beans.

  5. Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Gonser, U.

    1975-01-01

    This book is addressed to persons interested in learning about what has been done and what can be done with Moessbauer spectroscopy. In an introductory chapter the basic principle is explained and the general parameters governing Moessbauer spectroscopy are tabulated. For the following chapters various disciplines are chosen and the wide applicability of this measuring technique is demonstrated. The second chapter discusses a few representative examples of chemical interesting information being reflected by isomer shifts and quadrupole splittings, particularly with respect to bonding and structural properties. The third chapter deals with some applications of Moessbauer spectroscopy for characterizing magnetic compounds and its use for magnetic structure investigations, particularly by making use of polarized radiation. The fourth chapter describes the use of the Moessbauer spectroscopy for studying iron in biological molecules. As an example of recent applications to mineralogy and geology the results of the studies of lunar samples are reviewed in the fifth chapter. Finally, in the last chapter, work is described on the use of Moessbauer spectroscopy in physical metallurgy, particularly quantitative analyses which have enabled metallurgists to solve many old problems. (orig./FW) [de

  6. Application of reflectance colorimeter measurements and infrared spectroscopy methods to rapid and nondestructive evaluation of carotenoids content in apricot (Prunus armeniaca L.).

    Science.gov (United States)

    Ruiz, David; Reich, Maryse; Bureau, Sylvie; Renard, Catherine M G C; Audergon, Jean-Marc

    2008-07-09

    The importance of carotenoid content in apricot (Prunus armeniaca L.) is recognized not only because of the color that they impart but also because of their protective activity against human diseases. Current methods to assess carotenoid content are time-consuming, expensive, and destructive. In this work, the application of rapid and nondestructive methods such as colorimeter measurements and infrared spectroscopy has been evaluated for carotenoid determination in apricot. Forty apricot genotypes covering a wide range of peel and flesh colors have been analyzed. Color measurements on the skin and flesh ( L*, a*, b*, hue, chroma, and a*/ b* ratio) as well as Fourier transform near-infrared spectroscopy (FT-NIR) on intact fruits and Fourier transform mid-infrared spectroscopy (FT-MIR) on ground flesh were correlated with the carotenoid content measured by high-performance liquid chromatography. A high variability in color values and carotenoid content was observed. Partial least squares regression analyses between beta-carotene content and provitamin A activity and color measurements showed a high fit in peel, flesh, and edible apricot portion (R(2) ranged from 0.81 to 0.91) and low prediction error. Regression equations were developed for predicting carotenoid content by using color values, which appeared as a simple, rapid, reliable, and nondestructive method. However, FT-NIR and FT-MIR models showed very low R(2) values and very high prediction errors for carotenoid content.

  7. Detection of protein kinases P38 based on reflectance spectroscopy with n-type porous silicon microcavities for diagnosing hydatidosis hydatid disease

    Science.gov (United States)

    Lv, Xiaoyi; Lv, Guodong; Jia, Zhenhong; Wang, Jiajia; Mo, Jiaqing

    2014-11-01

    Detection of protein kinases P38 of Echinococcus granulosus and its homologous antibody have great value for early diagnosis and treatment of hydatidosis hydatid disease. In this experiment, n-type mesoporous silicon microcavities have been successfully fabricated without KOH etching or oxidants treatment that reported in other literature. We observed the changes of the reflectivity spectrum before and after the antigen-antibody reaction by n-type mesoporous silicon microcavities. The binding of protein kinases P38 and its homologous antibody causes red shifts in the reflection spectrum of the sensor, and the red shift was proportional to the protein kinases P38 concentration with linear relationship.

  8. Study of wide band-gap crystal LiCaAlF6 by IR-reflection spectroscopy and ab initio calculations

    International Nuclear Information System (INIS)

    Novikova, N.N.; Klimin, S.A.; Mavrin, B.N.

    2017-01-01

    Polarized IR-reflection spectra and results of ab initio calculations of vibrational and electronic properties of LiCaAlF6 single crystal are presented. It is shown that the crystal band gap is direct. Experimental and theoretical parameters are obtained for dipole-active and all phonons, respectively, including silent modes. Experimental IR-reflection and Raman spectra are well described in the frame of results obtained by ab initio calculations. The peculiarities are discussed concerning the structure of electronic bands, the interatomic interactions, the character of lattice vibrations, and the phonon dispersion.

  9. Imaging spectroscopy for characterisation of grass swards

    NARCIS (Netherlands)

    Schut, A.G.T.

    2003-01-01

    Keywords: Imaging spectroscopy, imaging spectrometry, remote sensing, reflection, reflectance, grass sward, white clover, recognition, characterisation, ground cover, growth monitoring, stress detection, heterogeneity quantification

    The potential of imaging spectroscopy as a tool for

  10. Attenuated Total Reflection Fourier Transform Infrared (ATR FT-IR) Spectroscopy as a Forensic Method to Determine the Composition of Inks Used to Print the United States One-cent Blue Benjamin Franklin Postage Stamps of the 19th Century.

    Science.gov (United States)

    Brittain, Harry G

    2016-01-01

    Through the combined use of infrared (IR) absorption spectroscopy and attenuated total reflectance (ATR) sampling, the composition of inks used to print the many different types of one-cent Benjamin Franklin stamps of the 19th century has been established. This information permits a historical evaluation of the formulations used at various times, and also facilitates the differentiation of the various stamps from each other. In two instances, the ink composition permits the unambiguous identification of stamps whose appearance is identical, and which (until now) have only been differentiated through estimates of the degree of hardness or softness of the stamp paper, or through the presence or absence of a watermark in the paper. In these instances, the use of ATR Fourier transform infrared spectroscopy (FT-IR) spectroscopy effectively renders irrelevant two 100-year-old practices of stamp identification. Furthermore, since the use of ATR sampling makes it possible to obtain the spectrum of a stamp still attached to its cover, it is no longer necessary to identify these blue Franklin stamps using their cancellation dates. © The Author(s) 2015.

  11. Using Spectroscopy to Infer the Eruption Style and Volatile History of Volcanic Tephras

    Science.gov (United States)

    McBride, M. J.; Horgan, B. H. N.; Rowe, M. C.; Wall, K. T.; Oxley, B. M.

    2017-12-01

    The interaction between volatiles and magma strongly influences volcanic eruption styles, and results in an increase in the glass component of volcanic tephra. On Earth, both phreatomagmatic and magmatic explosive eruptions create glassy tephras. Phreatomagmatic eruptions form abundant glass by quickly quenching lava through interaction with meteoric water while magmatic eruptions create less glass through slower cooling within larger pyroclasts or eruption columns. Wall et al. (2014) used X-ray diffraction (XRD) of diverse tephra samples to show that glass content correlates with eruption style, as magmatic samples contain less glass than phreatomagmatic samples. While use of XRD is limited to Earth and the Curiosity rover on Mars, orbital spectroscopy is much a more common technique in the exploration of terrestrial bodies. In this study, we evaluate whether or not spectroscopy can be used to infer eruption style and thus volatile history. Visible/near-infrared (VNIR) and thermal-infrared (TIR) spectra were collected of the Wall et al. (2014) tephra samples, and were analyzed for trends related to glass content and thus eruption style. VNIR spectra can detect glass at high abundances as well as hydrothermal alteration minerals produced during interactions with meteoric water. Using TIR, glass abundances can be derived by deconvolving the spectra with a standard spectral library; however, due to the non-unique spectral shape of glass, intermediate to high glass abundances in tephras are difficult to differentiate using TIR alone. Synthetic mixtures of glass and crystalline minerals verify these results. Therefore, the most effective method for determining glass abundance and thus eruption style from volcanic deposits is a combination of VNIR and TIR spectral analysis. Using standard planetary remote sensing instrumentation to infer eruption styles will provide a new window into the volcanic and volatile histories of terrestrial bodies.

  12. Determinação não destrutiva do nitrogênio total em plantas por espectroscopia de reflectância difusa no infravermelho próximo Non-destructive determination of total nitrogen in plants by diffuse reflectance near infrared spectroscopy

    Directory of Open Access Journals (Sweden)

    Kássio M. G. Lima

    2008-01-01

    Full Text Available Diffuse reflectance near-infrared (DR-NIR spectroscopy associated with partial least squares (PLS multivariate calibration is proposed for a direct, non-destructive, determination of total nitrogen in wheat leaves. The procedure was developed for an Analytical Instrumental Analysis course, carried out at the Institute of Chemistry of the State University of Campinas. The DR-NIR results are in good agreement with those obtained by the Kjeldhal standard procedure, with a relative error of less than ± 3% and the method may be used for teaching purposes as well as for routine analysis.

  13. Exploiting external reflection FTIR spectroscopy for the in-situ identification of pigments and binders in illuminated manuscripts. Brochantite and posnjakite as a case study

    Science.gov (United States)

    Zaffino, Chiara; Guglielmi, Vittoria; Faraone, Silvio; Vinaccia, Alessandro; Bruni, Silvia

    2015-02-01

    In the present work, the use of portable instrumentation allowing in-situ reflection FTIR analyses is exploited to identify the coloring matters of northern-Italian illuminations dating to the XVI century. In order to build a database of spectra, reference paint samples were prepared spreading the pigments on parchment with two different binders, i.e. gum arabic and egg white, used in antiquity. Pigments for the database were chosen considering their use in the Middle Ages and in the Renaissance and their response in the mid- and near-IR region. The reflection FTIR spectra obtained resulted to be dominated by the specular reflection component, allowing the use of the Kramers-Kronig transform to convert them to the more conventional absorbance FTIR spectra. Several pigments could thus be identified in ancient illuminations, even if some green details showed a spectral pattern different with respect to the most common commercial green pigments of the database. Therefore, in addition, basic copper sulfates brochantite and posnjakite were synthesized and characterized. In three green details, posnjakite was identified, both as a pure compound and together with malachite.

  14. A sensitive method for determining total vanadium in water samples using colorimetric-solid-phase extraction-fiber optic reflectance spectroscopy

    International Nuclear Information System (INIS)

    Filik, Hayati; Yanaz, Zeynep

    2009-01-01

    A selective colorimetric-solid-phase extraction (C-SPE) method for the determination of total vanadium in water samples was developed. This method introduced a new variation of C-SPE. The colour reaction is based on the reaction of vanadium(V) ternary complex formed with 1-(2-Pyridylazo)-2-naphtol (PAN) in the presence hydrogen peroxide (H 2 O 2 ). In this technique, the target analytes in samples are extracted onto solid matrix loaded with a colorimetric reagent and then quantified directly on the adsorbent surface by using a miniature fiber optic reflectance spectrometer. The measurements were carried out at a wavelength of 589.4 nm since it yielded the largest divergence different in reflectance spectra before and after reaction with the vanadium. The overall time required for the C-SPE procedure was ∼20 min. The amount of concentrated V is then determined in a few seconds by using miniature reflectance spectrometer. At the optimal conditions, a calibration curve was constructed, revealing a linear range of 0.05-0.52 mg L -1 and a detection limit as low as 0.01 mg L -1 while the RSD lower than 2.8%. In order to verify the accuracy of the method, a certified reference water samples (TMDA) were analysed and the results obtained were in good agreement with the certified values. The proposed method was applied to the determination of vanadium in tap water, seawater samples with a recovery for the spiked samples in the range of 98-102%.

  15. Attenuated Total Reflection Fourier Transform Infrared (ATR FT-IR) Spectroscopy as an Analytical Method to Investigate the Secondary Structure of a Model Protein Embedded in Solid Lipid Matrices.

    Science.gov (United States)

    Zeeshan, Farrukh; Tabbassum, Misbah; Jorgensen, Lene; Medlicott, Natalie J

    2018-02-01

    Protein drugs may encounter conformational perturbations during the formulation processing of lipid-based solid dosage forms. In aqueous protein solutions, attenuated total reflection Fourier transform infrared (ATR FT-IR) spectroscopy can investigate these conformational changes following the subtraction of spectral interference of solvent with protein amide I bands. However, in solid dosage forms, the possible spectral contribution of lipid carriers to protein amide I band may be an obstacle to determine conformational alterations. The objective of this study was to develop an ATR FT-IR spectroscopic method for the analysis of protein secondary structure embedded in solid lipid matrices. Bovine serum albumin (BSA) was chosen as a model protein, while Precirol AT05 (glycerol palmitostearate, melting point 58 ℃) was employed as the model lipid matrix. Bovine serum albumin was incorporated into lipid using physical mixing, melting and mixing, or wet granulation mixing methods. Attenuated total reflection FT-IR spectroscopy and size exclusion chromatography (SEC) were performed for the analysis of BSA secondary structure and its dissolution in aqueous media, respectively. The results showed significant interference of Precirol ATO5 with BSA amide I band which was subtracted up to 90% w/w lipid content to analyze BSA secondary structure. In addition, ATR FT-IR spectroscopy also detected thermally denatured BSA solid alone and in the presence of lipid matrix indicating its suitability for the detection of denatured protein solids in lipid matrices. Despite being in the solid state, conformational changes occurred to BSA upon incorporation into solid lipid matrices. However, the extent of these conformational alterations was found to be dependent on the mixing method employed as indicated by area overlap calculations. For instance, the melting and mixing method imparted negligible effect on BSA secondary structure, whereas the wet granulation mixing method promoted

  16. Comparison of Attenuated Total Reflectance Mid-Infrared, Near Infrared, and 1H-Nuclear Magnetic Resonance Spectroscopies for the Determination of Coffee’s Geographical Origin

    Directory of Open Access Journals (Sweden)

    Jessica Medina

    2017-01-01

    Full Text Available The sensorial properties of Colombian coffee are renowned worldwide, which is reflected in its market value. This raises the threat of fraud by adulteration using coffee grains from other countries, thus creating a demand for robust and cost-effective methods for the determination of geographical origin of coffee samples. Spectroscopic techniques such as Nuclear Magnetic Resonance (NMR, near infrared (NIR, and mid-infrared (mIR have arisen as strong candidates for the task. Although a body of work exists that reports on their individual performances, a faithful comparison has not been established yet. We evaluated the performance of 1H-NMR, Attenuated Total Reflectance mIR (ATR-mIR, and NIR applied to fraud detection in Colombian coffee. For each technique, we built classification models for discrimination by species (C. arabica versus C. canephora (or robusta and by origin (Colombia versus other C. arabica using a common set of coffee samples. All techniques successfully discriminated samples by species, as expected. Regarding origin determination, ATR-mIR and 1H-NMR showed comparable capacity to discriminate Colombian coffee samples, while NIR fell short by comparison. In conclusion, ATR-mIR, a less common technique in the field of coffee adulteration and fraud detection, emerges as a strong candidate, faster and with lower cost compared to 1H-NMR and more discriminating compared to NIR.

  17. Systematic Assessment of Attenuated Total Reflectance-Fourier Transforms Infrared Spectroscopy Coupled with Multivariate Analysis for Forensic Analysis of Black Ball-point Pen Inks

    International Nuclear Information System (INIS)

    Lee, L.C.; Mohamed Rozali Othman; Pua, H.; Lee, L.C.

    2012-01-01

    This manuscript aims to provide a new and non-destructive method for systematic analysis of inks on a questioned document. Ink samples were analyzed in situ on the paper substrate by micro-ATR-FTIR spectroscopy and the data obtained was processed and evaluated by a series of multivariate chemometrics. Absorbance value from wavenumbers of 2000-675 cm -1 were first processed by cluster analysis (CA), followed by principal component analysis (PCA) to form a set of new variables. Subsequently, the variables set was used for classification, differentiation and identification of 155 sample pens that comprise nine different brands. Results show that nine black ball-point pen brands could be classified into three main groups via discriminant analysis (DA). Differentiation analyses of nine different pen brands performed using one-way ANOVA indicated only two pairs of brands cannot be differentiated at 95 % confidence interval. Finally an identification flow chart was proposed to determine the brand of unknown pen inks. As a conclusion, the proposed method for extracting and creating a new variable set from infrared spectrum was evaluated to be satisfactory for systematic analysis of inks based on their infrared spectrum. (author)

  18. A methodological approach to study the stability of selected watercolours for painting reintegration, through reflectance spectrophotometry, Fourier transform infrared spectroscopy and hyperspectral imaging

    Science.gov (United States)

    Pelosi, Claudia; Capobianco, Giuseppe; Agresti, Giorgia; Bonifazi, Giuseppe; Morresi, Fabio; Rossi, Sara; Santamaria, Ulderico; Serranti, Silvia

    2018-06-01

    The aim of this work is to investigate the stability to simulated solar radiation of some paintings samples through a new methodological approach adopting non-invasive spectroscopic techniques. In particular, commercial watercolours and iron oxide based pigments were used, these last ones being prepared for the experimental by gum Arabic in order to propose a possible substitute for traditional reintegration materials. Reflectance spectrophotometry in the visible range and Hyperspectral Imaging in the short wave infrared were chosen as non-invasive techniques for evaluation the stability to irradiation of the chosen pigments. These were studied before and after artificial ageing procedure performed in Solar Box chamber under controlled conditions. Data were treated and elaborated in order to evaluate the sensitivity of the chosen techniques in identifying the variations on paint layers, induced by photo-degradation, before they could be observed by eye. Furthermore a supervised classification method for monitoring the painted surface changes adopting a multivariate approach was successfully applied.

  19. Complex refractive index measurements for BaF 2 and CaF 2 via single-angle infrared reflectance spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Kelly-Gorham, Molly Rose K.; DeVetter, Brent M.; Brauer, Carolyn S.; Cannon, Bret D.; Burton, Sarah D.; Bliss, Mary; Johnson, Timothy J.; Myers, Tanya L.

    2017-10-01

    We have re-investigated the optical constants n and k for the homologous series of inorganic salts barium fluoride (BaF2) and calcium fluoride (CaF2) using a single-angle near-normal incidence reflectance device in combination with a calibrated Fourier transform infrared (FTIR) spectrometer. Our results are in good qualitative agreement with most previous works. However, certain features of the previously published data near the reststrahlen band exhibit distinct differences in spectral characteristics. Notably, our measurements of BaF2 do not include a spectral feature in the ~250 cm-1 reststrahlen band that was previously published. Additionally, CaF2 exhibits a distinct wavelength shift relative to the model derived from previously published data. We confirmed our results with recently published works that use significantly more modern instrumentation and data reduction techniques

  20. Two gap superconductivity in Ba{sub 0.55}K{sub 0.45}Fe{sub 2}As{sub 2} single crystals studied by the directional point-contact Andreev reflection spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Szabo, P.; Pribulova, Z. [Centre of Low Temperature Physics, IEP Slovak Academy of Sciences and P.J.Safarik University, Watsonova 47, SK-04001 Kosice (Slovakia); Pristas, G.; Bud' ko, S.L.; Canfield, P.C. [Ames Laboratory and Iowa State University, Ames, IA 50011 (United States); Samuely, P., E-mail: samuely@saske.s [Centre of Low Temperature Physics, IEP Slovak Academy of Sciences and P.J.Safarik University, Watsonova 47, SK-04001 Kosice (Slovakia)

    2009-10-15

    First directional point-contact Andreev reflection spectroscopy on the Ba{sub 0.55}K{sub 0.45}Fe{sub 2}As{sub 2} single crystals is presented. The spectra show significant differences when measured in the ab plane in comparison with those measured in the c direction. In the latter case no traces of superconducting energy gap could be found, just a reduced point-contact conductance persisting up to about 100 K and indicating reduced density of states. On the other hand within the ab plane two nodeless superconducting energy gaps DELTA{sub S}approx2-5 meV and DELTA{sub L}approx9-11 meV are detected.

  1. Evaluation of Continuous VNIR-SWIR Spectra versus Narrowband Hyperspectral Indices to Discriminate the Invasive Acacia longifolia within a Mediterranean Dune Ecosystem

    Directory of Open Access Journals (Sweden)

    André Große-Stoltenberg

    2016-04-01

    Full Text Available Hyperspectral remote sensing is an effective tool to discriminate plant species, providing vast potential to trace plant invasions for ecological assessments. However, necessary baseline information for the use of remote sensing data is missing for many high-impact invaders. Furthermore, the identification of the suitable classification algorithms and spectral regions for successfully classifying species remains an open field of research. Here, we tested the separability of the invasive tree Acacia longifolia from adjacent exotic and native vegetation in a Natura 2000 protected Mediterranean dune ecosystem. We used continuous visible, near-infrared and short wave infrared (VNIR-SWIR data as well as vegetation indices at the leaf and canopy level for classification, comparing five different classification algorithms. We were able to successfully distinguish A. longifolia from surrounding vegetation based on vegetation indices. At the leaf level, radial-basis function kernel Support Vector Machine (SVM and Random Forest (RF achieved both a high Sensitivity (SVM: 0.83, RF: 0.78 and a high Positive Predicted Value (PPV (0.86, 0.83. At the canopy level, RF was the classifier with an optimal balance of Sensitivity (0.75 and PPV (0.75. The most relevant vegetation indices were linked to the biochemical parameters chlorophyll, water, nitrogen, and cellulose as well as vegetation cover, which is in line with biochemical and ecophysiological properties reported for A. longifolia. Our results highlight the potential to use remote sensing as a tool for an early detection of A. longifolia in Mediterranean coastal ecosystems.

  2. Quantification of live Lactobacillus acidophilus in mixed populations of live and killed by application of attenuated reflection Fourier transform infrared spectroscopy combined with chemometrics.

    Science.gov (United States)

    Toziou, Peristera-Maria; Barmpalexis, Panagiotis; Boukouvala, Paraskevi; Verghese, Susan; Nikolakakis, Ioannis

    2018-05-30

    Since culture-based methods are costly and time consuming, alternative methods are investigated for the quantification of probiotics in commercial products. In this work ATR- FTIR vibration spectroscopy was applied for the differentiation and quantification of live Lactobacillus (La 5) in mixed populations of live and killed La 5, in the absence and in the presence of enteric polymer Eudragit ® L 100-55. Suspensions of live (La 5_L) and killed in acidic environment bacillus (La 5_K) were prepared and binary mixtures of different percentages were used to grow cell cultures for colony counting and spectral analysis. The increase in the number of colonies with added%La 5_L to the mixture was log-linear (r 2  = 0.926). Differentiation of La 5_L from La 5_K was possible directly from the peak area at 1635 cm -1 (amides of proteins and peptides) and a linear relationship between%La 5_L and peak area in the range 0-95% was obtained. Application of partial least squares regression (PLSR) gave reasonable prediction of%La 5_L (RMSEp = 6.48) in binary mixtures of live and killed La 5 but poor prediction (RMSEp = 11.75) when polymer was added to the La 5 mixture. Application of artificial neural networks (ANNs) improved greatly the predictive ability for%La 5_L both in the absence and in the presence of polymer (RMSEp = 8.11 × 10 -8 for La 5 only mixtures and RMSEp = 8.77 × 10 -8 with added polymer) due to their ability to express in the calibration models more hidden spectral information than PLSR. Copyright © 2018 Elsevier B.V. All rights reserved.

  3. Rapid analysis of effluents generated by the dairy industry for fat determination by preconcentration in nylon membranes and attenuated total reflectance infrared spectroscopy measurement.

    Science.gov (United States)

    Moliner Martínez, Y; Muñoz-Ortuño, M; Herráez-Hernández, R; Campíns-Falcó, P

    2014-02-01

    This paper describes a new approach for the determination of fat in the effluents generated by the dairy industry which is based on the retention of fat in nylon membranes and measurement of the absorbances on the membrane surface by ATR-IR spectroscopy. Different options have been evaluated for retaining fat in the membranes using milk samples of different origin and fat content. Based on the results obtained, a method is proposed for the determination of fat in effluents which involves the filtration of 1 mL of the samples through 0.45 µm nylon membranes of 13 mm diameter. The fat content is then determined by measuring the absorbance of band at 1745 cm(-1). The proposed method can be used for the direct estimation of fat at concentrations in the 2-12 mg/L interval with adequate reproducibility. The intraday precision, expressed as coefficients of variation CVs, were ≤ 11%, whereas the interday CVs were ≤ 20%. The method shows a good tolerance towards conditions typically found in the effluents generated by the dairy industry. The most relevant features of the proposed method are simplicity and speed as the samples can be characterized in a few minutes. Sample preparation does not involve either additional instrumentation (such as pumps or vacuum equipment) or organic solvents or other chemicals. Therefore, the proposed method can be considered a rapid, simple and cost-effective alternative to gravimetric methods for controlling fat content in these effluents during production or cleaning processes. © 2013 Published by Elsevier B.V.

  4. Rapid, nondestructive estimation of surface polymer layer thickness using attenuated total reflection fourier transform infrared (ATR FT-IR) spectroscopy and synthetic spectra derived from optical principles.

    Science.gov (United States)

    Weinstock, B André; Guiney, Linda M; Loose, Christopher

    2012-11-01

    We have developed a rapid, nondestructive analytical method that estimates the thickness of a surface polymer layer with high precision but unknown accuracy using a single attenuated total reflection Fourier transform infrared (ATR FT-IR) measurement. Because the method is rapid, nondestructive, and requires no sample preparation, it is ideal as a process analytical technique. Prior to implementation, the ATR FT-IR spectrum of the substrate layer pure component and the ATR FT-IR and real refractive index spectra of the surface layer pure component must be known. From these three input spectra a synthetic mid-infrared spectral matrix of surface layers 0 nm to 10,000 nm thick on substrate is created de novo. A minimum statistical distance match between a process sample's ATR FT-IR spectrum and the synthetic spectral matrix provides the thickness of that sample. We show that this method can be used to successfully estimate the thickness of polysulfobetaine surface modification, a hydrated polymeric surface layer covalently bonded onto a polyetherurethane substrate. A database of 1850 sample spectra was examined. Spectrochemical matrix-effect unknowns, such as the nonuniform and molecularly novel polysulfobetaine-polyetherurethane interface, were found to be minimal. A partial least squares regression analysis of the database spectra versus their thicknesses as calculated by the method described yielded an estimate of precision of ±52 nm.

  5. Development of a method for the determination of caffeine anhydrate in various designed intact tablets [correction of tables] by near-infrared spectroscopy: a comparison between reflectance and transmittance technique.

    Science.gov (United States)

    Ito, Masatomo; Suzuki, Tatsuya; Yada, Shuichi; Kusai, Akira; Nakagami, Hiroaki; Yonemochi, Etsuo; Terada, Katsuhide

    2008-08-05

    Using near-infrared (NIR) spectroscopy, an assay method which is not affected by such elements of tablet design as thickness, shape, embossing and scored line was developed. Tablets containing caffeine anhydrate were prepared by direct compression at various compression force levels using different shaped punches. NIR spectra were obtained from these intact tablets using the reflectance and transmittance techniques. A reference assay was performed by high-performance liquid chromatography (HPLC). Calibration models were generated by the partial least-squares (PLS) regression. Changes in the tablet thickness, shape, embossing and scored line caused NIR spectral changes in different ways, depending on the technique used. As a result, noticeable errors in drug content prediction occurred using calibration models generated according to the conventional method. On the other hand, when the various tablet design elements which caused the NIR spectral changes were included in the model, the prediction of the drug content in the tablets was scarcely affected by those elements when using either of the techniques. A comparison of these techniques resulted in higher predictability under the tablet design variations using the transmittance technique with preferable linearity and accuracy. This is probably attributed to the transmittance spectra which sensitively reflect the differences in tablet thickness or shape as a result of obtaining information inside the tablets.

  6. Electron spectroscopy

    International Nuclear Information System (INIS)

    Hegde, M.S.

    1979-01-01

    An introduction to the various techniques in electron spectroscopy is presented. These techniques include: (1) UV Photoelectron spectroscopy, (2) X-ray Photoelectron spectroscopy, (3) Auger electron spectroscopy, (4) Electron energy loss spectroscopy, (5) Penning ionization spectroscopy and (6) Ion neutralization spectroscopy. The radiations used in each technique, the basis of the technique and the special information obtained in structure determination in atoms and molecules by each technique are summarised. (A.K.)

  7. The Reflective Learning Continuum: Reflecting on Reflection

    Science.gov (United States)

    Peltier, James W.; Hay, Amanda; Drago, William

    2005-01-01

    The importance of reflection to marketing educators is increasingly recognized. However, there is a lack of empirical research that considers reflection within the context of both the marketing and general business education literature. This article describes the use of an instrument that can be used to measure four identified levels of a…

  8. Comparing near-infrared conventional diffuse reflectance spectroscopy and hyperspectral imaging for determination of the bulk properties of solid samples by multivariate regression: determination of Mooney viscosity and plasticity indices of natural rubber.

    Science.gov (United States)

    Juliano da Silva, Carlos; Pasquini, Celio

    2015-01-21

    Conventional reflectance spectroscopy (NIRS) and hyperspectral imaging (HI) in the near-infrared region (1000-2500 nm) are evaluated and compared, using, as the case study, the determination of relevant properties related to the quality of natural rubber. Mooney viscosity (MV) and plasticity indices (PI) (PI0 - original plasticity, PI30 - plasticity after accelerated aging, and PRI - the plasticity retention index after accelerated aging) of rubber were determined using multivariate regression models. Two hundred and eighty six samples of rubber were measured using conventional and hyperspectral near-infrared imaging reflectance instruments in the range of 1000-2500 nm. The sample set was split into regression (n = 191) and external validation (n = 95) sub-sets. Three instruments were employed for data acquisition: a line scanning hyperspectral camera and two conventional FT-NIR spectrometers. Sample heterogeneity was evaluated using hyperspectral images obtained with a resolution of 150 × 150 μm and principal component analysis. The probed sample area (5 cm(2); 24,000 pixels) to achieve representativeness was found to be equivalent to the average of 6 spectra for a 1 cm diameter probing circular window of one FT-NIR instrument. The other spectrophotometer can probe the whole sample in only one measurement. The results show that the rubber properties can be determined with very similar accuracy and precision by Partial Least Square (PLS) regression models regardless of whether HI-NIR or conventional FT-NIR produce the spectral datasets. The best Root Mean Square Errors of Prediction (RMSEPs) of external validation for MV, PI0, PI30, and PRI were 4.3, 1.8, 3.4, and 5.3%, respectively. Though the quantitative results provided by the three instruments can be considered equivalent, the hyperspectral imaging instrument presents a number of advantages, being about 6 times faster than conventional bulk spectrometers, producing robust spectral data by ensuring sample

  9. Devising an endoluminal bimodal probe which combines autofluorescence and reflectance spectroscopy with high resolution MRI for early stage colorectal cancer diagnosis: technique, feasibility and preliminary in-vivo (rabbit) results

    Science.gov (United States)

    Ramgolam, A.; Sablong, R.; Bou-Saïd, B.; Bouvard, S.; Saint-Jalmes, H.; Beuf, O.

    2011-07-01

    Conventional white light endoscopy (WLE) is the most widespread technique used today for colorectal cancer diagnosis and is considered as the gold standard when coupled to biopsy and histology. However for early stage colorectal cancer diagnosis, which is very often characterised by flat adenomas, the use of WLE is quite difficult due to subtle or quasiinvisible morphological changes of the colonic lining. Figures worldwide point out that diagnosing colorectal cancer in its early stages would significantly reduce the death toll all while increasing the 5-year survival rate. Several techniques are currently being investigated in the scope of providing new tools that would allow such a diagnostic or assist actual techniques in so doing. We hereby present a novel technique where High spatial Resolution MRI (HR-MRI) is coupled to optical spectroscopy (autofluorescence and reflectance) in a bimodal endoluminal probe to extract morphological data and biochemical information respectively. The design and conception of the endoluminal probe along with the preliminary results obtained with an organic phantom and in-vivo (rabbit) are presented and discussed.

  10. Gamma Spectroscopy

    NARCIS (Netherlands)

    Niemantsverdriet, J.W.; Butz, Tilman; Ertl, G.; Knözinger, H.; Schüth, F.

    2008-01-01

    No abstract. The sections in this article are 1 Introduction 2 Mössbauer Spectroscopy 3 Time-Differential Perturbed Angular Correlations (TDPAC) 4 Conclusions and Outlook Keywords: Mössbauer spectroscopy; gamma spectroscopy; perturbed angular correlation; TDPAC

  11. Reflective photovoltaics

    Energy Technology Data Exchange (ETDEWEB)

    Lentine, Anthony L.; Nielson, Gregory N.; Cruz-Campa, Jose Luis; Okandan, Murat; Goeke, Ronald S.

    2018-03-06

    A photovoltaic module includes colorized reflective photovoltaic cells that act as pixels. The colorized reflective photovoltaic cells are arranged so that reflections from the photovoltaic cells or pixels visually combine into an image on the photovoltaic module. The colorized photovoltaic cell or pixel is composed of a set of 100 to 256 base color sub-pixel reflective segments or sub-pixels. The color of each pixel is determined by the combination of base color sub-pixels forming the pixel. As a result, each pixel can have a wide variety of colors using a set of base colors, which are created, from sub-pixel reflective segments having standard film thicknesses.

  12. Detection of Lettuce Discoloration Using Hyperspectral Reflectance Imaging.

    Science.gov (United States)

    Mo, Changyeun; Kim, Giyoung; Lim, Jongguk; Kim, Moon S; Cho, Hyunjeong; Cho, Byoung-Kwan

    2015-11-20

    Rapid visible/near-infrared (VNIR) hyperspectral imaging methods, employing both a single waveband algorithm and multi-spectral algorithms, were developed in order to discrimination between sound and discolored lettuce. Reflectance spectra for sound and discolored lettuce surfaces were extracted from hyperspectral reflectance images obtained in the 400-1000 nm wavelength range. The optimal wavebands for discriminating between discolored and sound lettuce surfaces were determined using one-way analysis of variance. Multi-spectral imaging algorithms developed using ratio and subtraction functions resulted in enhanced classification accuracy of above 99.9% for discolored and sound areas on both adaxial and abaxial lettuce surfaces. Ratio imaging (RI) and subtraction imaging (SI) algorithms at wavelengths of 552/701 nm and 557-701 nm, respectively, exhibited better classification performances compared to results obtained for all possible two-waveband combinations. These results suggest that hyperspectral reflectance imaging techniques can potentially be used to discriminate between discolored and sound fresh-cut lettuce.

  13. Personal Reflections

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education. Personal Reflections. Articles in Resonance – Journal of Science Education. Volume 6 Issue 3 March 2001 pp 90-93 Personal Reflections. Why did I opt for Career in Science? Jayant V Narlikar · More Details Fulltext PDF. Volume 9 Issue 8 August 2004 pp 89-89 ...

  14. Reflection groups

    International Nuclear Information System (INIS)

    Eggermont, G.

    2006-01-01

    In 2005, PISA organised proactive meetings of reflection groups on involvement in decision making, expert culture and ethical aspects of radiation protection.All reflection group meetings address particular targeted audiences while the output publication in book form is put forward

  15. Reflection ciphers

    DEFF Research Database (Denmark)

    Boura, Christina; Canteaut, Anne; Knudsen, Lars Ramkilde

    2017-01-01

    study the necessary properties for this coupling permutation. Special care has to be taken of some related-key distinguishers since, in the context of reflection ciphers, they may provide attacks in the single-key setting.We then derive some criteria for constructing secure reflection ciphers...

  16. Quantifying Reflection

    DEFF Research Database (Denmark)

    Alcock, Gordon Lindsay

    2013-01-01

    ´ These are all based on Blooms taxonomy and levels of competence and form a major part of individual student and group learning portfolios. Key Words :Project-Based learning, Reflective Portfolios, Self assessment, Defining learning gains, Developing learning strategies , Reflections on and for learning....... It contrasts the students’ self-assessment in a range of ‘product’ skills such as Revit, Structural Design, Mathematics of construction, Technical Installations; as well as ‘process’ competencies such as ‘Working in a team’, Sharing knowledge, Maintaining a portfolio and Reflecting ON learning and FOR learning......This paper documents 1st semester student reflections on “learning to learn” in a team-based PBL environment with quantitative and qualitative student reflective feedback on the learning gains of 60 Architectural Technology and Construction Management students at VIA University College, Denmark...

  17. Planetary spectroscopy

    International Nuclear Information System (INIS)

    Fink, U.

    1988-01-01

    The main goal of the research is charge coupled device (CCD) spectroscopic and imaging studies of the solar system in support of spacecraft investigations. Studies include the physical behavior of comets, the atmosphere of the gaseous planets, and the solid surfaces of satellites and asteroids. The major observing program consisted of approximately 50 nights of photometry of Comet Halley in order to resolve the controversy over this comet's rotation period. This data is presently being analyzed. Additional observing projects included the spectroscopic occultation of Charon by Pluto, reflection spectroscopy of Mercury, and a spectrum of the satellite Oberon. Mercury data does not corroborate the Fe(++) absorption feature reported by McCord and Clark at 8800 A but instead potentially shows a weaker feature at longer wavelengths. This position is in much closer accord with expectations for Mercury since a band center near 8800 A implies too little Fe(++) on Mercury, especially if band shifts with temperature are considered. The Pluto project proved that the deep methane absorptions visible in their combined specta are due soley to Pluto with Charon showing a flat and featureless spectrum. It appears that if Charon ever contained a substantial methane component, the satellite's low surface gravity could not hold it and the methane evaporated and escaped

  18. Predição da composição química de bermudas (Cynodon spp. pela espectroscopia de reflectância no infravermelho proximal Prediction of chemical composition of Cynodon spp. by near infrared reflectance spectroscopy

    Directory of Open Access Journals (Sweden)

    Roberto Serena Fontaneli

    2004-08-01

    Full Text Available Diversos cultivares de Cynodon dactylon têm sido cultivados no Rio Grande do Sul para alimentação do rebanho leiteiro, na forma de pastejo ou feno. A rápida determinação do valor nutritivo dessas forrageiras pode ser útil para seu manejo e para o planejamento da dieta dos animais. Este trabalho teve como objetivo desenvolver curvas de calibração para análise do valor nutritivo de quatro cultivares de Cynodon (Tifton 68, Tifton 85, Florakirk, Coastcross, utilizando o método de reflectância no infravermelho proximal (NIRS. Foram utilizadas 129 amostras de forragem verde, coletadas e analisadas entre 1998 e 2001. Os coeficientes de determinação para proteína bruta, fibra insolúvel em detergente neutro, fibra insolúvel em detergente ácido, matéria seca, cálcio, fósforo, potássio e magnésio foram, respectivamente: 0,98; 0,97; 0,99; 1; 0,92; 0,97; 0,99 e 0,72%. Os erros-padrão de calibração foram de 0,38; 0,60; 0,35; 0,14; 0,02; 0,01; 0,05 e 0,01%, respectivamente. As equações obtidas foram consideradas de excelente resolução para todos os parâmetros estimados, o que indica a acurácia do método para a espécie avaliada.Many Cynodon dactylon cultivars have been cultivated in Rio Grande do Sul state to be used as pasture or hay to feed dairy cattle. Quick determination of the nutritional value of these forages would be valuable for management and diet planning. This work had the objective to develop calibration curves for analysis of the nutritional value of four Cynodon cultivars (Tifton 68, Tifton 85, Florakirk, Coastcross, using near infrared reflectance spectroscopy (NIRS. A total of 129 fresh samples of green pasture were collected and analyzed from 1998 to 2001. The determination coefficients for crude protein, neutral detergent fiber, acid detergent fiber, dry matter, calcium, phosphorus, potash and magnesium were, respectively, .98, .97, .99, 1, .92, .97, .99 and .72%. The calibration standard error for the same

  19. Molecular spectroscopy

    International Nuclear Information System (INIS)

    Kokh, Eh.; Zonntag, B.

    1981-01-01

    The latest investigation results on molecular spectroscopy with application of synchrotron radiation in the region of vacuum ultraviolet are generalized. Some results on investigation of excited, superexcited and ionized molecule states with the use of adsorption spectroscopy, photoelectron spectroscopy, by fluorescent and mass-spectrometric methods are considered [ru

  20. Atom spectroscopy

    International Nuclear Information System (INIS)

    Kodling, K.

    1981-01-01

    Experiments on atom photoabsorption spectroscopy using synchrotron radiation in the 10-1000 eV range are reviewed. Properties of the necessary synchrotron radiation and the experiment on absorption spectroscopy are briefly described. Comparison with other spectroscopy methods is conducted. Some data on measuring photoabsorption, photoelectron emission and atom mass spectra are presented [ru

  1. Vibrational spectroscopy

    Science.gov (United States)

    Umesh P. Agarwal; Rajai Atalla

    2010-01-01

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

  2. Terahertz spectroscopy

    DEFF Research Database (Denmark)

    Jepsen, Peter Uhd

    2009-01-01

    In this presentation I will review methods for spectroscopy in the THz range, with special emphasis on the practical implementation of the technique known ad THz time-domain spectroscopy (THz-TDS). THz-TDS has revived the old field of far-infrared spectroscopy, and enabled a wealth of new...... activities that promise commercial potential for spectroscopic applications in the THz range. This will be illustrated with examples of spectroscopy of liquids inside their bottles as well as sensitive, quantitative spectroscopy in waveguides....

  3. Reflectance Modeling

    Science.gov (United States)

    Smith, J. A.; Cooper, K.; Randolph, M.

    1984-01-01

    A classical description of the one dimensional radiative transfer treatment of vegetation canopies was completed and the results were tested against measured prairie (blue grama) and agricultural canopies (soybean). Phase functions are calculated in terms of directly measurable biophysical characteristics of the canopy medium. While the phase functions tend to exhibit backscattering anisotropy, their exact behavior is somewhat more complex and wavelength dependent. A Monte Carlo model was developed that treats soil surfaces with large periodic variations in three dimensions. A photon-ray tracing technology is used. Currently, the rough soil surface is described by analytic functions and appropriate geometric calculations performed. A bidirectional reflectance distribution function is calculated and, hence, available for other atmospheric or canopy reflectance models as a lower boundary condition. This technique is used together with an adding model to calculate several cases where Lambertian leaves possessing anisotropic leaf angle distributions yield non-Lambertian reflectance; similar behavior is exhibited for simulated soil surfaces.

  4. Reflective optics

    CERN Document Server

    Korsch, Dietrich

    1991-01-01

    This is the first book dedicated exclusively to all-reflective imaging systems. It is a teaching tool as well as a practical design tool for anyone who specializes in optics, particularly for those interested in telescopes, infrared, and grazing-incidence systems. The first part of the book describes a unified geometric optical theory of all-reflective imaging systems (from near-normal to grazing incidence) developed from basic principles. The second part discusses correction methods and a multitude of closed-form solutions of well-corrected systems, supplemented with many conventional and unc

  5. Reflective Efficacy

    Directory of Open Access Journals (Sweden)

    Carla Bagnoli

    2018-04-01

    Full Text Available The purpose of this paper is to highlight some difficulties of Neil Sinhababu’s Humean theory of agency, which depend on his radically reductivist approach, rather than to his Humean sympathies. The argument is that Sinhababu’s theory builds upon a critique of reflective agency which is based on equivocation and misunderstandings of the Kantian approach. Ultimately, the objection is that his reductivist view is unequipped to address the rclassical problems of rational deliberation and agential authority.

  6. Modern spectroscopy

    CERN Document Server

    Hollas, J Michael

    2013-01-01

    The latest edition of this highly acclaimed title introduces the reader to a wide range of spectroscopies, and includes both the background theory and applications to structure determination and chemical analysis.  It covers rotational, vibrational, electronic, photoelectron and Auger spectroscopy, as well as EXAFs and the theory of lasers and laser spectroscopy. A  revised and updated edition of a successful, clearly written book Includes the latest developments in modern laser techniques, such as cavity ring-down spectroscopy and femtosecond lasers Provides numerous worked examples, calculations and questions at the end of chapters.

  7. Prediction of the Composition of Fresh Pastures by Near Infrared Reflectance or Interactance-Reflectance Spectroscopy Predicción de la composición de pradera fresca mediante espectroscopía de reflectancia o interactancia-reflectancia en el infrarrojo cercano

    Directory of Open Access Journals (Sweden)

    Daniel Alomar

    2009-06-01

    Full Text Available Fast and precise analytical tools can contribute to optimize pasture management decisions. This work was carried out to evaluate the potential of one such technique, near infrared spectroscopy (NIRS, to predict the nutritional value of pastures without previous drying of the samples, comparing two forms of collecting the spectra: reflectance, or interactance-reflectance (fiber optic probe. Samples (n = 107 from different swards were taken across the humid and temperate regions (Los Ríos and Los Lagos of southern Chile. Once their spectra were collected, dry matter (DM and several chemical constituents, such as crude protein (CP, metabolizable energy (ME, neutral (NDF and acid detergent fiber (ADF, soluble carbohydrates (SC, soluble crude protein (SCP and neutral detergent insoluble N (NDFIN, were determined as reference data. Calibrations were developed and the best ranked were selected (by cross-validation according to a lower standard error of cross validation (SE CV and a higher determination coefficient of cross validation (R²CV. Calibrations in the reflectance mode, for DM and CP, reached a high R²CV (0.99 and 0.91, respectively and a SE CV (6.5 and 18.4 g kg-1. Equations for ADF, SCP and ME were ranked next, with R²CV of 0.87, 0.84 and 0.82, respectively, and SE CV of 15.88 g kg-1, 15.45 g kg-1 and 0.34 Mj kg-1. Equations for NDF, SC and NDFIN, with R²CV of 0.78, 0.77 and 0.61, respectively, and SE CV of 35.57, 94.54 and 1.89 g kg-1, respectively, are considered unreliable for prediction purposes. Interactance-reflectance, on the other hand, resulted in poorer equations for all fractions.Disponer de técnicas bromatológicas rápidas y precisas ayudaría a optimizar decisiones en el manejo de praderas. En este trabajo se evaluó el potencial de una de tales técnicas, la espectroscopía de reflectancia en el infrarrojo cercano (NIRS para predecir el valor nutricional de praderas al estado fresco y comparar dos formas de colectar los

  8. THz spectroscopy of liquids – applications and future challenges

    DEFF Research Database (Denmark)

    Jepsen, Peter Uhd; Cooke, David; Møller, Uffe

    2009-01-01

    transmission spectroscopy of pressed pellets for the investigation of powder materials and wafer-like samples for spectroscopy of bulk and nanostructured semiconductor materials. Reflection-type spectroscopy is applied using plane interfaces for the study of liquids [1,2,3]. However, quantitative spectroscopy...

  9. On Reflection

    DEFF Research Database (Denmark)

    Blasco, Maribel

    2012-01-01

    produces: that the self is accessible and transcendable, that reflexivity is universal across space and time, and that the self can act as its own remedial change agent or ‘inner consultant.’ I argue that because reflexivity is understood in many different ways, attention to definition is crucial, both...... on the concepts of selfhood that prevail and how notions of difference are constructed. First, I discuss how the dominant usages of reflexivity in intercultural education reflect and reproduce a Cartesian view of the self that shapes how ICC is conceptualized and taught. I discuss three assumptions that this view...

  10. Inspiring Reflections

    DEFF Research Database (Denmark)

    Muchie, Mammo

    2011-01-01

    A numberof Chris Freeman's colleagues were asked to reflect on what they thought describes his life and work in a few words. Some of the colleagues replied including former SPRU students that were taught or supervised by Chris Freeman. Their views on what they thought were Chris Freeman's defining...... life is not free from fluctuations, cycles, disruptions, crises and destructions both human and ecological. Innovation research ought to position itself to address environmental, financial and economic crises. The third is innovation research for development by addressing not only poverty erdaication...

  11. Reflective Writing

    DEFF Research Database (Denmark)

    Ahrenkiel Jørgensen, Andriette

    2016-01-01

    In Breve fra min Have (Letters from my Garden), the Swedish landscape architect, Sven-Ingvar Andersson, produces dialogues about his garden to a wide circle of friends, colleagues, deceased and still living acquaintances such as Karen Blixen, Gertrude Stein, C. Th. Sørensen, Albrecht Dürer, Peter...... Høeg etetera. The dialogues work as a tool of reflection in terms of providing opportunity to examine his own beliefs, to explore the possible reasons for engaging in a particular activity. On the basis of Sven-Ingvar Andersson’s book a teaching program at the Aarhus School of Architecture provides...

  12. Reflective Packaging

    Science.gov (United States)

    1994-01-01

    The aluminized polymer film used in spacecraft as a radiation barrier to protect both astronauts and delicate instruments has led to a number of spinoff applications. Among them are aluminized shipping bags, food cart covers and medical bags. Radiant Technologies purchases component materials and assembles a barrier made of layers of aluminized foil. The packaging reflects outside heat away from the product inside the container. The company is developing new aluminized lines, express mailers, large shipping bags, gel packs and insulated panels for the building industry.

  13. Neutron reflectivity

    Directory of Open Access Journals (Sweden)

    Cousin Fabrice

    2015-01-01

    Full Text Available The specular neutron reflectivity is a technique enabling the measurement of neutron scattering length density profile perpendicular to the plane of a surface or an interface, and thereby the profile of chemical composition. The characteristic sizes that are probed range from around 5 Å up 5000 Å. It is a scattering technique that averages information on the entire surface and it is therefore not possible to obtain information within the plane of the interface. The specific properties of neutrons (possibility of tuning the contrast by isotopic substitution, sensitivity to magnetism, negligible absorption, low energy of the incident neutrons makes it particularly interesting in the fields of soft matter, biophysics and magnetic thin films. This course is a basic introduction to the technique and does not address the magnetic reflectivity. It is composed of three parts describing respectively its principle and its formalism, the experimental aspects of the method (spectrometers, samples and two examples related to the materials for energy.

  14. Laser spectroscopy

    CERN Document Server

    Demtröder, Wolfgang

    Keeping abreast of the latest techniques and applications, this new edition of the standard reference and graduate text on laser spectroscopy has been completely revised and expanded. While the general concept is unchanged, the new edition features a broad array of new material, e.g., ultrafast lasers (atto- and femto-second lasers) and parametric oscillators, coherent matter waves, Doppler-free Fourier spectroscopy with optical frequency combs, interference spectroscopy, quantum optics, the interferometric detection of gravitational waves and still more applications in chemical analysis, medical diagnostics, and engineering.

  15. Observing System Simulations for Small Satellite Formations Estimating Bidirectional Reflectance

    Science.gov (United States)

    Nag, Sreeja; Gatebe, Charles K.; de Weck, Olivier

    2015-01-01

    The bidirectional reflectance distribution function (BRDF) gives the reflectance of a target as a function of illumination geometry and viewing geometry, hence carries information about the anisotropy of the surface. BRDF is needed in remote sensing for the correction of view and illumination angle effects (for example in image standardization and mosaicing), for deriving albedo, for land cover classification, for cloud detection, for atmospheric correction, and other applications. However, current spaceborne instruments provide sparse angular sampling of BRDF and airborne instruments are limited in the spatial and temporal coverage. To fill the gaps in angular coverage within spatial, spectral and temporal requirements, we propose a new measurement technique: Use of small satellites in formation flight, each satellite with a VNIR (visible and near infrared) imaging spectrometer, to make multi-spectral, near-simultaneous measurements of every ground spot in the swath at multiple angles. This paper describes an observing system simulation experiment (OSSE) to evaluate the proposed concept and select the optimal formation architecture that minimizes BRDF uncertainties. The variables of the OSSE are identified; number of satellites, measurement spread in the view zenith and relative azimuth with respect to solar plane, solar zenith angle, BRDF models and wavelength of reflection. Analyzing the sensitivity of BRDF estimation errors to the variables allow simplification of the OSSE, to enable its use to rapidly evaluate formation architectures. A 6-satellite formation is shown to produce lower BRDF estimation errors, purely in terms of angular sampling as evaluated by the OSSE, than a single spacecraft with 9 forward-aft sensors. We demonstrate the ability to use OSSEs to design small satellite formations as complements to flagship mission data. The formations can fill angular sampling gaps and enable better BRDF products than currently possible.

  16. Observing system simulations for small satellite formations estimating bidirectional reflectance

    Science.gov (United States)

    Nag, Sreeja; Gatebe, Charles K.; Weck, Olivier de

    2015-12-01

    The bidirectional reflectance distribution function (BRDF) gives the reflectance of a target as a function of illumination geometry and viewing geometry, hence carries information about the anisotropy of the surface. BRDF is needed in remote sensing for the correction of view and illumination angle effects (for example in image standardization and mosaicing), for deriving albedo, for land cover classification, for cloud detection, for atmospheric correction, and other applications. However, current spaceborne instruments provide sparse angular sampling of BRDF and airborne instruments are limited in the spatial and temporal coverage. To fill the gaps in angular coverage within spatial, spectral and temporal requirements, we propose a new measurement technique: use of small satellites in formation flight, each satellite with a VNIR (visible and near infrared) imaging spectrometer, to make multi-spectral, near-simultaneous measurements of every ground spot in the swath at multiple angles. This paper describes an observing system simulation experiment (OSSE) to evaluate the proposed concept and select the optimal formation architecture that minimizes BRDF uncertainties. The variables of the OSSE are identified; number of satellites, measurement spread in the view zenith and relative azimuth with respect to solar plane, solar zenith angle, BRDF models and wavelength of reflection. Analyzing the sensitivity of BRDF estimation errors to the variables allow simplification of the OSSE, to enable its use to rapidly evaluate formation architectures. A 6-satellite formation is shown to produce lower BRDF estimation errors, purely in terms of angular sampling as evaluated by the OSSE, than a single spacecraft with 9 forward-aft sensors. We demonstrate the ability to use OSSEs to design small satellite formations as complements to flagship mission data. The formations can fill angular sampling gaps and enable better BRDF products than currently possible.

  17. Reflected Glory

    Science.gov (United States)

    2011-02-01

    The nebula Messier 78 takes centre stage in this image taken with the Wide Field Imager on the MPG/ESO 2.2-metre telescope at the La Silla Observatory in Chile, while the stars powering the bright display take a backseat. The brilliant starlight ricochets off dust particles in the nebula, illuminating it with scattered blue light. Igor Chekalin was the overall winner of ESO's Hidden Treasures 2010 astrophotography competition with his image of this stunning object. Messier 78 is a fine example of a reflection nebula. The ultraviolet radiation from the stars that illuminate it is not intense enough to ionise the gas to make it glow - its dust particles simply reflect the starlight that falls on them. Despite this, Messier 78 can easily be observed with a small telescope, being one of the brightest reflection nebulae in the sky. It lies about 1350 light-years away in the constellation of Orion (The Hunter) and can be found northeast of the easternmost star of Orion's belt. This new image of Messier 78 from the MPG/ESO 2.2-metre telescope at the La Silla Observatory is based on data selected by Igor Chekalin in his winning entry to the Hidden Treasures competition [1]. The pale blue tint seen in the nebula in this picture is an accurate representation of its dominant colour. Blue hues are commonly seen in reflection nebulae because of the way the starlight is scattered by the tiny dust particles that they contain: the shorter wavelength of blue light is scattered more efficiently than the longer wavelength red light. This image contains many other striking features apart from the glowing nebula. A thick band of obscuring dust stretches across the image from the upper left to the lower right, blocking the light from background stars. In the bottom right corner, many curious pink structures are also visible, which are created by jets of material being ejected from stars that have recently formed and are still buried deep in dust clouds. Two bright stars, HD 38563A and

  18. Laser spectroscopy

    International Nuclear Information System (INIS)

    Letokhov, V.S.

    1981-01-01

    This article describes recent progress in the application of laser atomic spectroscopy to study parameters of nuclei available in very small quantities; radioactive nuclei, rare isotopes, nuclear isomers, etc, for which study by conventional spectroscopic methods is difficult. (author)

  19. Fluorescence spectroscopy

    DEFF Research Database (Denmark)

    Bagatolli, Luis

    2016-01-01

    Fluorescence spectroscopy is a powerful experimental tool used by scientists from many disciplines. During the last decades there have been important developments on distinct fluorescence methods, particularly those related to the study of biological phenomena. This chapter discusses the foundati......Fluorescence spectroscopy is a powerful experimental tool used by scientists from many disciplines. During the last decades there have been important developments on distinct fluorescence methods, particularly those related to the study of biological phenomena. This chapter discusses...

  20. Optical Spectroscopy

    DEFF Research Database (Denmark)

    Thyrhaug, Erling

    The work presented in this thesis is broadly concerned with how complexation reactions and molecular motion can be characterized with the standard techniques in optical spectroscopy. The thesis aims to show a relatively broad range of methods for probing physico-chemical properties in fluorophore...... information about chemical equilibria, kinetics and molecular motion by monitoring changes in optical properties of the system. The five presented research projects are largely unrelated to each other both in aim and in what property is probed, however they are all connected in that they are fluorophore...... reactions by optical spectroscopy. In project 1 simple steady-state absorption and fluorescence spectroscopy is used to determine the stoichiometries and equilibrium constants in the inclusion complex formation between cyclodextrins and derivatives of the water-insoluble oligo(phenylene vinylene) in aqueous...

  1. Hollow waveguide cavity ringdown spectroscopy

    Science.gov (United States)

    Dreyer, Chris (Inventor); Mungas, Greg S. (Inventor)

    2012-01-01

    Laser light is confined in a hollow waveguide between two highly reflective mirrors. This waveguide cavity is used to conduct Cavity Ringdown Absorption Spectroscopy of loss mechanisms in the cavity including absorption or scattering by gases, liquid, solids, and/or optical elements.

  2. Optogalvanic spectroscopy

    International Nuclear Information System (INIS)

    Pianarosa, P.; Demers, Y.; Gagne, J.M.

    1983-01-01

    Laser induced optogalvanic spectroscopy in a hollow cathode-produced plasma has been used to resolve the isotopic structure of some absorption lines in uranium. We have shown that the optogalvanic signal associated with any isotope can be related to the concentration of that isotope in a multi-isotopic sample. From the results we have obtained, optogalvanic spectroscopy of sputtered samples appears to be an interesting approach to the isotopic analysis of both natural and enriched uranium and could easily be applied to the analysis of other fissile elements, such as the plutonium isotopes

  3. Photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Price, W.C.

    1974-01-01

    A survey is given of the development of x-ray and ultraviolet photoelectron spectroscopy. Applications of photoelectron spectroscopy to studies of atomic electronic configurations are discussed, including photoelectron spectra of hydrides isoelectronic with the inert gases; photoelectron spectra of the halogen derivatives of methane; photoelectron spectra of multiple bonded diatomic molecules; spectra and structure of some multiple bonded polyatomic molecules; spectra and structure of triatomic molecules; and methods of orbital assignment of bands in photoelectron spectra. Physical aspects are considered, including intensities; selection rules; dependence of cross section on photoelectron energy; autoionization; angular distribution of photoelectrons; electron-molecule interactions; and transient species. (26 figures, 54 references) (U.S.)

  4. Alteration, slope-classified alteration, and potential lahar inundation maps of volcanoes for the Advanced Spaceborne Thermal Emission and Reflection Radiometer (ASTER) Volcano Archive

    Science.gov (United States)

    Mars, John C.; Hubbard, Bernard E.; Pieri, David; Linick, Justin

    2015-01-01

    This study identifies areas prone to lahars from hydrothermally altered volcanic edifices on a global scale, using visible and near infrared (VNIR) and short wavelength infrared (SWIR) reflectance data from the Advanced Spaceborne Thermal Emission and Reflection Radiometer (ASTER) and digital elevation data from the ASTER Global Digital Elevation Model (GDEM) dataset. This is the first study to create a global database of hydrothermally altered volcanoes showing quantitatively compiled alteration maps and potentially affected drainages, as well as drainage-specific maps illustrating modeled lahars and their potential inundation zones. We (1) identified and prioritized 720 volcanoes based on population density surrounding the volcanoes using the Smithsonian Institution Global Volcanism Program database (GVP) and LandScan™ digital population dataset; (2) validated ASTER hydrothermal alteration mapping techniques using Airborne Visible and Infrared Imaging Spectrometer (AVIRIS) and ASTER data for Mount Shasta, California, and Pico de Orizaba (Citlaltépetl), Mexico; (3) mapped and slope-classified hydrothermal alteration using ASTER VNIR-SWIR reflectance data on 100 of the most densely populated volcanoes; (4) delineated drainages using ASTER GDEM data that show potential flow paths of possible lahars for the 100 mapped volcanoes; (5) produced potential alteration-related lahar inundation maps using the LAHARZ GIS code for Iztaccíhuatl, Mexico, and Mount Hood and Mount Shasta in the United States that illustrate areas likely to be affected based on DEM-derived volume estimates of hydrothermally altered rocks and the ~2x uncertainty factor inherent within a statistically-based lahar model; and (6) saved all image and vector data for 3D and 2D display in Google Earth™, ArcGIS® and other graphics display programs. In addition, these data are available from the ASTER Volcano Archive (AVA) for distribution (available at http://ava.jpl.nasa.gov/recent_alteration_zones.php).

  5. Raman spectroscopy

    Science.gov (United States)

    Raman spectroscopy has gained increased use and importance in recent years for accurate and precise detection of physical and chemical properties of food materials, due to the greater specificity and sensitivity of Raman techniques over other analytical techniques. This book chapter presents Raman s...

  6. Bioimpedance Spectroscopy

    DEFF Research Database (Denmark)

    Klösgen, Beate; Rümenapp, Christine; Gleich, Bernhard

    2011-01-01

    causes relaxation processes with characteristic contributions to the frequency-dependent complex dielectric constant. These dipolar relaxations were initially described by Debye (Polare Molekeln 1929). They are the basis of impedance spectroscopy (K’Owino and Sadik Electroanalysis 17(23):2101–2113, 2005...

  7. Towards a semiquantitative non invasive characterisation of Tyrian purple dye composition: Convergence of UV-Visible reflectance spectroscopy and fast-high temperature-high performance liquid chromatography with photodiode array detection.

    Science.gov (United States)

    Clementi, Catia; Nowik, Witold; Romani, Aldo; Cardon, Dominique; Trojanowicz, Marek; Davantès, Athénaïs; Chaminade, Pierre

    2016-07-05

    In this paper, partial least square (PLS) regression is innovatively applied for a semi-quantitative non invasive study of the most precious dye of Antiquity: Tyrian purple. This original approach for the study of organic dyes in the cultural heritage field, is based on the correlation of spectrophotometric (UV-Visible) and chromatographic (Fast-HT-HPLC-PDA) data from an extensive set of textiles prepared with different snail species according to historical recipes. A cross-validated PLS model, based on the quantity of 6,6'-dibromoindigotin, displays an excellent correlation factor (R(2)Y = 0.987) between values determined by chromatography and those predicted from reflectance spectra. This indicates that the spectral features of Tyrian purple on textile fibre is strictly related to the amount of this indigoid component whose content may be non invasively predicted from reflectance spectrum. The studied correlation also highlights that, independently of the dyeing method and nature of the textile fibre used, the relative content of 6,6'-dibromindigotin may be used as a parameter to distinguish samples prepared with Hexaplex trunculus L. snails from those prepared with further mollusc species. To validate this model, archaeological textile fragments dating from the Roman period were successfully examined. The results achieved open an absolutely new way in Tyrian purple analysis in cultural heritage by non invasive spectroscopic techniques attesting their convergence with HPLC and giving them a semi-quantitative value. Copyright © 2016 Elsevier B.V. All rights reserved.

  8. Application of attenuated total reflectance Fourier Transform Infrared spectroscopy (ATR-FTIR) in MIR range coupled with chemometrics for detection of pig body fat in pure ghee (heat clarified milk fat)

    Science.gov (United States)

    Upadhyay, Neelam; Jaiswal, Pranita; Jha, Shyam Narayan

    2018-02-01

    Pure ghee is superior to other fats and oils due to the presence of bioactive lipids and its rich flavor. Adulteration of ghee with cheaper fats and oils is a prevalent fraudulent practice. ATR-FTIR spectroscopy was coupled with chemometrics for the purpose of detection of presence of pig body fat in pure ghee. Pure mixed ghee was spiked with pig body fat @ 3, 4, 5, 10, 15% level. The spectra of pure (ghee and pig body fat) along with the spiked samples was taken in MIR from 4000 to 500 cm-1. Some wavenumber ranges were selected on the basis of differences in the spectra obtained. Separate clusters of the samples were obtained by employing principal component analysis at 5% level of significance on the selected wavenumber range. Probable class membership was predicted by applying SIMCA approach. Approximately, 90% of the samples classified into their respective class and pure ghee and pig body fat never misclassified themselves. The value of R2 was >0.99 for both calibration and validation sets using partial least square method. The study concluded that spiking of pig body fat in pure ghee can be detected even at a level of 3%.

  9. Fusion of spectral and electrochemical sensor data for estimating soil macronutrients

    Science.gov (United States)

    Rapid and efficient quantification of plant-available soil phosphorus (P) and potassium (K) is needed to support variable-rate fertilization strategies. Two methods that have been used for estimating these soil macronutrients are diffuse reflectance spectroscopy in visible and near-infrared (VNIR) w...

  10. Characterization of silver halide fiber optics and hollow silica waveguides for use in the construction of a mid-infrared attenuated total reflection fourier transform infrared (ATR FT-IR) spectroscopy probe.

    Science.gov (United States)

    Damin, Craig A; Sommer, André J

    2013-11-01

    Advances in fiber optic materials have allowed for the construction of fibers and waveguides capable of transmitting infrared radiation. An investigation of the transmission characteristics associated with two commonly used types of infrared-transmitting fibers/waveguides for prospective use in a fiber/waveguide-coupled attenuated total internal reflection (ATR) probe was performed. Characterization of silver halide polycrystalline fiber optics and hollow silica waveguides was done on the basis of the transmission of infrared light using a conventional fiber optic coupling accessory and an infrared microscope. Using the fiber optic coupling accessory, the average percent transmission for three silver halide fibers was 18.1 ± 6.1% relative to a benchtop reflection accessory. The average transmission for two hollow waveguides (HWGs) using the coupling accessory was 8.0 ± 0.3%. (Uncertainties in the relative percent transmission represent the standard deviations.) Reduced transmission observed for the HWGs was attributed to the high numerical aperture of the coupling accessory. Characterization of the fibers/waveguides using a zinc selenide lens objective on an infrared microscope indicated 24.1 ± 7.2% of the initial light input into the silver halide fibers was transmitted. Percent transmission obtained for the HWGs was 98.7 ± 0.1%. Increased transmission using the HWGs resulted from the absence or minimization of insertion and scattering losses due to the hollow air core and a better-matched numerical aperture. The effect of bending on the transmission characteristics of the fibers/waveguides was also investigated. Significant deviations in the transmission of infrared light by the solid-core silver halide fibers were observed for various bending angles. Percent transmission greater than 98% was consistently observed for the HWGs at the bending angles. The combined benefits of high percent transmission, reproducible instrument responses, and increased bending

  11. Predicting Key Agronomic Soil Properties with UV-Vis Fluorescence Measurements Combined with Vis-NIR-SWIR Reflectance Spectroscopy: A Farm-Scale Study in a Mediterranean Viticultural Agroecosystem.

    Science.gov (United States)

    Vaudour, Emmanuelle; Cerovic, Zoran G; Ebengo, Dav M; Latouche, Gwendal

    2018-04-10

    For adequate crop and soil management, rapid and accurate techniques for monitoring soil properties are particularly important when a farmer starts up his activities and needs a diagnosis of his cultivated fields. This study aimed to evaluate the potential of fluorescence measured directly on 146 whole soil solid samples, for predicting key soil properties at the scale of a 6 ha Mediterranean wine estate with contrasting soils. UV-Vis fluorescence measurements were carried out in conjunction with reflectance measurements in the Vis-NIR-SWIR range. Combining PLSR predictions from Vis-NIR-SWIR reflectance spectra and from a set of fluorescence signals enabled us to improve the power of prediction of a number of key agronomic soil properties including SOC, N tot , CaCO₃, iron, fine particle-sizes (clay, fine silt, fine sand), CEC, pH and exchangeable Ca 2+ with cross-validation RPD ≥ 2 and R² ≥ 0.75, while exchangeable K⁺, Na⁺, Mg 2+ , coarse silt and coarse sand contents were fairly predicted (1.42 ≤ RPD < 2 and 0.54 ≤ R² < 0.75). Predictions of SOC, N tot , CaCO₃, iron contents, and pH were still good (RPD ≥ 1.8, R² ≥ 0.68) when using a single fluorescence signal or index such as SFR_R or FERARI, highlighting the unexpected importance of red excitations and indices derived from plant studies. The predictive ability of single fluorescence indices or original signals was very significant for topsoil: this is very important for a farmer who wishes to update information on soil nutrient for the purpose of fertility diagnosis and particularly nitrogen fertilization. These results open encouraging perspectives for using miniaturized fluorescence devices enabling red excitation coupled with red or far-red fluorescence emissions directly in the field.

  12. Predicting Key Agronomic Soil Properties with UV-Vis Fluorescence Measurements Combined with Vis-NIR-SWIR Reflectance Spectroscopy: A Farm-Scale Study in a Mediterranean Viticultural Agroecosystem

    Directory of Open Access Journals (Sweden)

    Emmanuelle Vaudour

    2018-04-01

    Full Text Available For adequate crop and soil management, rapid and accurate techniques for monitoring soil properties are particularly important when a farmer starts up his activities and needs a diagnosis of his cultivated fields. This study aimed to evaluate the potential of fluorescence measured directly on 146 whole soil solid samples, for predicting key soil properties at the scale of a 6 ha Mediterranean wine estate with contrasting soils. UV-Vis fluorescence measurements were carried out in conjunction with reflectance measurements in the Vis-NIR-SWIR range. Combining PLSR predictions from Vis-NIR-SWIR reflectance spectra and from a set of fluorescence signals enabled us to improve the power of prediction of a number of key agronomic soil properties including SOC, Ntot, CaCO3, iron, fine particle-sizes (clay, fine silt, fine sand, CEC, pH and exchangeable Ca2+ with cross-validation RPD ≥ 2 and R² ≥ 0.75, while exchangeable K+, Na+, Mg2+, coarse silt and coarse sand contents were fairly predicted (1.42 ≤ RPD < 2 and 0.54 ≤ R² < 0.75. Predictions of SOC, Ntot, CaCO3, iron contents, and pH were still good (RPD ≥ 1.8, R² ≥ 0.68 when using a single fluorescence signal or index such as SFR_R or FERARI, highlighting the unexpected importance of red excitations and indices derived from plant studies. The predictive ability of single fluorescence indices or original signals was very significant for topsoil: this is very important for a farmer who wishes to update information on soil nutrient for the purpose of fertility diagnosis and particularly nitrogen fertilization. These results open encouraging perspectives for using miniaturized fluorescence devices enabling red excitation coupled with red or far-red fluorescence emissions directly in the field.

  13. Determinação de sibutramina em formas farmacêuticas através de espectroscopia no infravermelho com refletância difusa e métodos de calibração multivariada Determination of sibutramine in pharmaceutical formulations by diffuse reflectance infrared spectroscopy and multivariate calibration methods

    Directory of Open Access Journals (Sweden)

    Daniela Florencio Maluf

    2010-01-01

    Full Text Available The goal of this work is the development and validation of an analytical method for fast quantification of sibutramine in pharmaceutical formulations, using diffuse reflectance infrared spectroscopy and partial least square regression. The multivariate model was elaborated from 22 mixtures containing sibutramine and excipients (lactose, microcrystalline cellulose, colloidal silicon dioxide and magnesium stearate and using fragmented (750-1150/ 1350-1500/ 1850-1950/ 2600-2900 cm-1 and smoothing spectral data. Using 10 latent variables, excellent predictive capacity were observed in the calibration (n=20, RMSEC=0.004, R= 0.999 and external validation (n=5, RMSEC= 9.36, R=0.999 phases. In the analysis of synthetic mixtures the precision (SD=3,47% was compatible with the rules of the Agencia Nacional de Vigilância Sanitária (ANVISA-Brazil. In the analysis of commercial drugs good agreement was observed between spectroscopic and chromatographic methods.

  14. Fourier Transform Infrared Spectroscopy Part III. Applications.

    Science.gov (United States)

    Perkins, W. D.

    1987-01-01

    Discusses the use of the FT-IR spectrometer in analyses that were previously avoided. Examines some of the applications of this spectroscopy with aqueous solutions, circular internal reflection, samples with low transmission, diffuse reflectance, infrared emission, and the infrared microscope. (TW)

  15. Photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Bosch, A.

    1982-01-01

    In this work examples of the various aspects of photoelectron spectroscopy are given. The investigation was started with the development of an angle-resolved spectrometer so that the first chapters deal with angle-resolved ultra-violet photoelectron spectroscopy. To indicate the possibilities and pitfalls of the technique, in chapter II the theory is briefly reviewed. In chapter III the instrument is described. The system is based on the cylindrical mirror deflection analyzer, which is modified and improved for angle-resolved photoelectron spectroscopy. In combination with a position sensitive detector, a spectrometer is developed with which simultaneously several angle-resolved spectra can be recorded. In chapter IV, the results are reported of angle-integrated UPS experiments on dilute alloys. Using the improved energy resolution of the instrument the author was able to study the impurity states more accurately and shows that the photoemission technique has become an important tool in the study of impurities and the interactions involved. XPS and Auger results obtained from dilute alloys are presented in chapter V. It is shown that these systems are especially suited for the study of correlation effects and can provide interesting problems related to the satellite structure and the interaction of the impurity with the host. In chapter VI, the valence bands of ternary alloys are studied with UPS and compared to recent band structure calculation. The core level shifts are analyzed in a simple, thermodynamic scheme. (Auth.)

  16. Fusion spectroscopy

    International Nuclear Information System (INIS)

    Peacock, N.J.

    1995-09-01

    This article traces developments in the spectroscopy of high temperature laboratory plasma used in controlled fusion research from the early 1960's until the present. These three and a half decades have witnessed many orders of magnitude increase in accessible plasma parameters such as density and temperature as well as particle and energy confinement timescales. Driven by the need to interpret the radiation in terms of the local plasma parameters, the thrust of fusion spectroscopy has been to develop our understanding of (i) the atomic structure of highly ionised atoms, usually of impurities in the hydrogen isotope fuel; (ii) the atomic collision rates and their incorporation into ionization structure and emissivity models that take into account plasma phenomena like plasma-wall interactions, particle transport and radiation patterns; (iii) the diagnostic applications of spectroscopy aided by increasingly sophisticated characterisation of the electron fluid. These topics are discussed in relation to toroidal magnetically confined plasmas, particularly the Tokamak which appears to be the most promising approach to controlled fusion to date. (author)

  17. Visible and Near-IR Reflectance Spectra of Smectite Acquired Under Dry Conditions for Interpretation of Martian Surface Mineralogy

    Science.gov (United States)

    Morris, Richard V.; Achilles, Cherie N; Archer, Paul D.; Graff, Trevor G.; Agresti, David G.; Ming, Douglas W; Golden, Dadi C.; Mertzman, Stanley A.

    2011-01-01

    Visible and near-IR (VNIR) spectra from the MEx OMEGA and the MRO CRISM hyper-spectral imaging instruments have spectral features associated with the H2O molecule and M OH functional groups (M = Mg, Fe, Al, and Si). Mineralogical assignments of martian spectral features are made on the basis of laboratory VNIR spectra, which were often acquired under ambient (humid) conditions. Smectites like nontronite, saponite, and montmorillionite have interlayer H2O that is exchangeable with their environment, and we have acquired smectite reflectance spectra under dry environmental conditions for interpretation of martian surface mineralogy. We also obtained chemical, Moessbauer (MB), powder X-ray diffraction (XRD), and thermogravimetric (TG) data to understand variations in spectral properties. VNIR spectra were recorded in humid lab air at 25-35C, in a dynamic dry N2 atmosphere (50-150 ppmv H2O) after exposing the smectite samples (5 nontronites, 3 montmorillionites, and 1 saponite) to that atmosphere for up to approximately l000 hr each at 25-35C, approximately 105C, and approximately 215C, and after re-exposure to humid lab air. Heating at 105C and 215C for approximately 1000 hr is taken as a surrogate for geologic time scales at lower temperatures. Upon exposure to dry N2, the position and intensity of spectral features associated with M-OH were relatively insensitive to the dry environment, and the spectral features associated with H2O (e.g., approximately 1.90 micrometers) decreased in intensity and are sometimes not detectable by the end of the 215C heating step. The position and intensity of H2O spectral features recovered upon re-exposure to lab air. XRD data show interlayer collapse for the nontronites and Namontmorillionites, with the interlayer remaining collapsed for the latter after re-exposure to lab air. The interlayer did not collapse for the saponite and Ca-montmorillionite. TG data show that the concentration of H2O derived from structural OH was invariant

  18. Quantitative monitoring of sucrose, reducing sugar and total sugar dynamics for phenotyping of water-deficit stress tolerance in rice through spectroscopy and chemometrics

    Science.gov (United States)

    Das, Bappa; Sahoo, Rabi N.; Pargal, Sourabh; Krishna, Gopal; Verma, Rakesh; Chinnusamy, Viswanathan; Sehgal, Vinay K.; Gupta, Vinod K.; Dash, Sushanta K.; Swain, Padmini

    2018-03-01

    In the present investigation, the changes in sucrose, reducing and total sugar content due to water-deficit stress in rice leaves were modeled using visible, near infrared (VNIR) and shortwave infrared (SWIR) spectroscopy. The objectives of the study were to identify the best vegetation indices and suitable multivariate technique based on precise analysis of hyperspectral data (350 to 2500 nm) and sucrose, reducing sugar and total sugar content measured at different stress levels from 16 different rice genotypes. Spectral data analysis was done to identify suitable spectral indices and models for sucrose estimation. Novel spectral indices in near infrared (NIR) range viz. ratio spectral index (RSI) and normalised difference spectral indices (NDSI) sensitive to sucrose, reducing sugar and total sugar content were identified which were subsequently calibrated and validated. The RSI and NDSI models had R2 values of 0.65, 0.71 and 0.67; RPD values of 1.68, 1.95 and 1.66 for sucrose, reducing sugar and total sugar, respectively for validation dataset. Different multivariate spectral models such as artificial neural network (ANN), multivariate adaptive regression splines (MARS), multiple linear regression (MLR), partial least square regression (PLSR), random forest regression (RFR) and support vector machine regression (SVMR) were also evaluated. The best performing multivariate models for sucrose, reducing sugars and total sugars were found to be, MARS, ANN and MARS, respectively with respect to RPD values of 2.08, 2.44, and 1.93. Results indicated that VNIR and SWIR spectroscopy combined with multivariate calibration can be used as a reliable alternative to conventional methods for measurement of sucrose, reducing sugars and total sugars of rice under water-deficit stress as this technique is fast, economic, and noninvasive.

  19. Challenging Narcissus, or Reflecting on Reflecting.

    Science.gov (United States)

    Achilles, C. M.

    The concept of reflective practice and teaching people to be reflective practitioners is examined. The document begins with a look at professional knowledge according to three prominent professionals in the educational administration field: Schon, Schein, and Achilles. "Reflective" strategies that could be incorporated into courses and…

  20. Direct determination of sorbitol and sodium glutamate by attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) in the thermostabilizer employed in the production of yellow-fever vaccine.

    Science.gov (United States)

    de Castro, Eduardo da S G; Cassella, Ricardo J

    2016-05-15

    Reference methods for quality control of vaccines usually require treatment of the samples before analysis. These procedures are expensive, time-consuming, unhealthy and require careful manipulation of the sample, making them a potential source of analytical errors. This work proposes a novel method for the quality control of thermostabilizer samples of the yellow fever vaccine employing attenuated total reflectance Fourier transform infrared spectrometry (ATR-FTIR). The main advantage of the proposed method is the possibility of direct determination of the analytes (sodium glutamate and sorbitol) without any pretreatment of the samples. Operational parameters of the FTIR technique, such as the number of accumulated scans and nominal resolution, were evaluated. The best conditions for sodium glutamate were achieved when 64 scans were accumulated using a nominal resolution of 4 cm(-1). The measurements for sodium glutamate were performed at 1347 cm(-1) (baseline correction between 1322 and 1369 cm(-1)). In the case of sorbitol, the measurements were done at 890cm(-1) (baseline correction between 825 and 910 cm(-1)) using a nominal resolution of 2 cm(-1) with 32 accumulated scans. In both cases, the quantitative variable was the band height. Recovery tests were performed in order to evaluate the accuracy of the method and recovery percentages in the range 93-106% were obtained. Also, the methods were compared with reference methods and no statistical differences were observed. The limits of detection and quantification for sodium glutamate were 0.20 and 0.62% (m/v), respectively, whereas for sorbitol they were 1 and 3.3% (m/v), respectively. Copyright © 2016 Elsevier B.V. All rights reserved.

  1. Microscale Solubility Measurements of Matrix-Assisted Laser Desorption-Ionization (MALDI) Matrices Using Attenuated Total Reflection (ATR) Fourier Transform Infrared Spectroscopy (FT-IR) Coupled with Partial Least Squares (PLS) Analysis.

    Science.gov (United States)

    Gorre, Elsa; Owens, Kevin G

    2016-11-01

    In this work an attenuated total reflection Fourier transform infrared (FT-IR) absorption based method is used to measure the solubility of two matrix-assisted laser desorption-ionization (MALDI) matrices in a few pure solvents and mixtures of acetonitrile and water using low microliter amounts of solution. Results from a method that averages the values obtained from multiple calibration curves created by manual peak picking are compared to those predicted using a partial least squares (PLS) chemometrics approach. The PLS method provided solubility values that were in good agreement with the manual method with significantly greater ease of analysis. As a test, the solubility of adipic acid in acetone was measured using the two methods of analysis, and the values are in good agreement with solubility values reported in literature. The solubilities of the MALDI matrices α-cyano-4-hydroxy cinnamic acid (CHCA) and sinapinic acid (SA) were measured in a series of mixtures made from acetonitrile (ACN) and water; surprisingly, the results show a highly nonlinear trend. While both CHCA and SA show solubility values of less than 10 mg/mL in the pure solvents, the solubility value for SA increases to 56.3 mg/mL in a 75:25 v/v ACN:water mixture. This can have a significant effect on the matrix-to-analyte ratios in the MALDI experiment when sample protocols call for preparation of a saturated solution of the matrix in the chosen solvent system. © The Author(s) 2016.

  2. Laser spectroscopy

    CERN Document Server

    Demtröder, Wolfgang

    2008-01-01

    Keeping abreast of the latest techniques and applications, this new edition of the standard reference and graduate text on laser spectroscopy has been completely revised and expanded. While the general concept is unchanged, the new edition features a broad array of new material, e.g., frequency doubling in external cavities, reliable cw-parametric oscillators, tunable narrow-band UV sources, more sensitive detection techniques, tunable femtosecond and sub-femtosecond lasers (X-ray region and the attosecond range), control of atomic and molecular excitations, frequency combs able to synchronize independent femtosecond lasers, coherent matter waves, and still more applications in chemical analysis, medical diagnostics, and engineering.

  3. NMR spectroscopy

    International Nuclear Information System (INIS)

    Gruenert, J.

    1989-01-01

    The book reviews the applications of NMR-spectroscopy in medicine and biology. The first chapter of about 40 pages summarizes the history of development and explains the chemical and physical fundamentals of this new and non-invasive method in an easily comprehensible manner. The other chapters summarize diagnostic results obtained with this method in organs and tissues, so that the reader will find a systematic overview of the available findings obtained in the various organ systems. It must be noted, however, that ongoing research work and new insight quite naturally will necessitate corrections to be done, as is the case here with some biochemical interpretations which would need adjustment to latest research results. NMR-spectroscopy is able to measure very fine energy differences on the molecular level, and thus offers insight into metabolic processes, with the advantage that there is no need of applying ionizing radiation in order to qualitatively or quantitatively analyse the metabolic processes in the various organ systems. (orig./DG) With 40 figs., 4 tabs [de

  4. Hadron spectroscopy

    International Nuclear Information System (INIS)

    Igi, K.

    1979-01-01

    This paper is related to mini-rapporteur talk on baryonium spectroscopy. First of all, the models of baryonium, namely the diquark model, the string picture, the linear baryonium and the bag model, are described. All of these models so far discussed are highly suggestive. In this paper, discussions are confined to the spectroscopy of the string and the bag models. Because of the color degree of freedom, the bag model has mock diquonium and mock mesonium besides true baryonium. It might be possible that the string model takes into account only a part of them. The constraints among baryonium, baryon and boson trajectories using duality and unitarity were proposed as a guide for classifying various spectra. Inequalities were derived as the modest and reliable constraints on baryonium intercepts from baryon and boson intercepts by imposing unitarity and Regge behaviors on scattering amplitudes. As a consequence of residue factorization and duality, the baryonium slopes were derived. The spin of S (1936) was also obtained. The baryonium containing s or c quarks can also be studied. Topics such as the EXD patterns of baryons, linear baryons, linear Regge trajectories for all Q-anti Q families, and the Al and two Q mesons, are presented in this paper. Comments on di-baryon are described. (Kato, T.)

  5. Hadron spectroscopy

    International Nuclear Information System (INIS)

    Oka, Makoto

    2012-01-01

    Spectra of hadrons show various and complex structures due to the strong coupling constants of the quantum chromodynamics (QCD) constituting its fundamental theory. For their understandings, two parameters, i.e., (1) the quark mass and (2) their excitation energies are playing important roles. In low energies, for example, rather simple structures similar to the positronium appear in the heavy quarks such as charms and bottoms. It has been, however, strongly suggested by the recent experiments that the molecular resonant state shows up when the threshold to decay to mesons is exceeded. On the other hand, chiral symmetry and its breaking play important roles in the dynamics of light quarks. Strange quarks are in between and show special behaviors. In the present lecture, the fundamental concept of the hadron spectroscopy based on the QCD is expounded to illustrate the present understandings and problems of the hadron spectroscopy. Sections are composed of 1. Introduction, 2. Fundamental Concepts (hadrons, quarks and QCD), 3. Quark models and exotic hadrons, 4. Lattice QCD and QCD sum rules. For sections 1 to 3, only outline of the concepts is described because of the limited space. Exotic hadrons, many quark pictures of light hadrons and number of quarks in hadrons are described briefly. (S. Funahashi)

  6. Transmission and reflection properties of terahertz fractal metamaterials

    DEFF Research Database (Denmark)

    Malureanu, Radu; Lavrinenko, Andrei; Cooke, David

    2010-01-01

    We use THz time-domain spectroscopy to investigate transmission and reflection properties of metallic fractal metamaterial structures. We observe loss of free-space energy at certain resonance frequencies, indicating excitation of surface modes of the metamaterial.......We use THz time-domain spectroscopy to investigate transmission and reflection properties of metallic fractal metamaterial structures. We observe loss of free-space energy at certain resonance frequencies, indicating excitation of surface modes of the metamaterial....

  7. Investigating murals with terahertz reflective tomography

    Science.gov (United States)

    Yuan, Minjie; Sun, Wenfeng; Wang, Xinke; Wang, Sen; Zhang, Qunxi; Ye, Jiasheng; Zhang, Yan

    2015-08-01

    Terahertz time-domain spectroscopy (THz-TDS) imaging technology has been proposed to be used in the non-invasive detection of murals. THz-TDS images provide structural data of the sample that cannot be obtained with other complementary techniques. In this paper, two types of defects hidden in the plaster used to simulate the cases of defects in the murals, have been investigated by the terahertz reflected time domain spectroscopy imaging system. These preset defects include a leaf slice and a slit built in the plaster. With the terahertz reflective tomography, information about defects has been determined involving the thickness from the surface of sample to the built-in defect, the profile and distribution of the defect. With this THz tomography, different defects with the changes of optical thickness and their relative refractive index have been identified. The application of reflective pulsed terahertz imaging has been extended to the defect detection of the murals.

  8. Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Zemcik, T.

    1984-01-01

    The emission and absorption of photons taking place without changes in the frequency spectrum of the crystal lattice are known as the Moessbauer effect. It takes place in the low energy levels of heavy nuclei in solid lattices at low temperatures. On the basis of the hyperfine structure of Moessbauer spectra the notions are explained of isomer shift, quadrupole splitting and magnetic splitting. The principle and function are explained of Moessbauer spectrometers and the methods of graphical processing of spectra, also the use of the least square fit. Moessbauer spectroscopy is nondestructive, highly sensitive and selective and makes structural resolution possible. It is used for quantitative and qualitative analysis of compounds. Examples are given of the use of this method for mineralogical and crystallo-chemical analysis of lunar minerals and rocks, for analysis of corrosion products of iron and for phase analysis of alloys. (M.D.)

  9. Photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Shirley, D.A.

    1976-01-01

    Research activities in photoelectron spectroscopy at Lawrence Radiation Laboratory during 1976 are described. Topics covered include: the orientation of CO on Pt(III) and Ni(III) surfaces from angle-resolved photoemission; photoemission from CO on Pt(III) in the range 40 eV less than or equal to dirac constant ω less than or equal to 150 eV; photoemission studies of electron states at clean surfaces using synchrotron radiation; angle and energy dependent photoemission studies of plasmon loss structure in Al and In; d-orbital directed photoemission from copper; interpretation of angle-resolved x-ray photoemission from valence bands; atomic cross-section effects in soft x-ray photoemission from Ag, Au, and Pt valence bands; x-ray photoelectron spectroscopic studies of the electronic structure of transition metal difluorides; x-ray photoemission investigation of the density of states of B'-NiAl; the electronic structure of SrTiO 3 and some simple related oxides; fluorescence lifetime measurements of np 5 (n+1)S' states in krypton and xenon; Zeeman beats in the resonance fluorescence of the 3P 1 , states in krypton and xenon; lifetime measurements of rare-gas dimers; configuration interaction effects in the atomic photoelectron spectra of Ba, Sm, Eu, and Yb; glow discharge lamps as electron sources for electron impact excitation; electron impact excitation of electron correlation states in Ca, Sr, and Ba; photoelectron spectroscopy of atomic and molecular bismuth; relativistic effects in the uv photoelectron spectra of group VI diatomic molecules; and relative gas-phase acidities and basicities from a proton potential model

  10. SIMP spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Hochberg, Yonit [Ernest Orlando Lawrence Berkeley National Laboratory, University of California,Berkeley, CA 94720 (United States); Department of Physics, University of California,Berkeley, CA 94720 (United States); Kuflik, Eric [Department of Physics, LEPP, Cornell University,Ithaca NY 14853 (United States); Murayama, Hitoshi [Ernest Orlando Lawrence Berkeley National Laboratory, University of California,Berkeley, CA 94720 (United States); Department of Physics, University of California,Berkeley, CA 94720 (United States); Kavli Institute for the Physics and Mathematics of the Universe (WPI),University of Tokyo Institutes for Advanced Study, University of Tokyo,Kashiwa 277-8583 (Japan); Center for Japanese Studies, University of California,Berkeley, CA 94720 (United States)

    2016-05-16

    We study the interactions between strongly interacting massive particle dark matter and the Standard Model via a massive vector boson that is kinetically mixed with the hypercharge gauge boson. The relic abundance is set by 3→2 self-interactions of the dark matter, while the interactions with the vector mediator enable kinetic equilibrium between the dark and visible sectors. We show that a wide range of parameters is phenomenologically viable and can be probed in various ways. Astrophysical and cosmological constraints are evaded due to the p-wave nature of dark matter annihilation into visible particles, while direct detection methods using electron recoils can be sensitive to parts of the parameter space. In addition, we propose performing spectroscopy of the strongly coupled dark sector at e{sup +}e{sup −} colliders, where the energy of a mono-photon can track the resonance structure of the dark sector. Alternatively, some resonances may decay back into Standard Model leptons or jets, realizing ‘hidden valley’ phenomenology at the LHC and ILC in a concrete fashion.

  11. SIMP spectroscopy

    International Nuclear Information System (INIS)

    Hochberg, Yonit; Kuflik, Eric; Murayama, Hitoshi

    2016-01-01

    We study the interactions between strongly interacting massive particle dark matter and the Standard Model via a massive vector boson that is kinetically mixed with the hypercharge gauge boson. The relic abundance is set by 3→2 self-interactions of the dark matter, while the interactions with the vector mediator enable kinetic equilibrium between the dark and visible sectors. We show that a wide range of parameters is phenomenologically viable and can be probed in various ways. Astrophysical and cosmological constraints are evaded due to the p-wave nature of dark matter annihilation into visible particles, while direct detection methods using electron recoils can be sensitive to parts of the parameter space. In addition, we propose performing spectroscopy of the strongly coupled dark sector at e + e − colliders, where the energy of a mono-photon can track the resonance structure of the dark sector. Alternatively, some resonances may decay back into Standard Model leptons or jets, realizing ‘hidden valley’ phenomenology at the LHC and ILC in a concrete fashion.

  12. Intermolecular spectroscopy

    International Nuclear Information System (INIS)

    Gelbart, W.M.

    1980-01-01

    In this article some of the theoretical background is presented for the following papers on 'Intermolecular Spectroscopy and Dynamical Properties of Dense Systems'. In Section 1 we outline a simple semi-classical description of the interaction between optical radiation and matter. The motion of a many-body polarizability is introduced; limiting forms of this complicated quantity lead to the familiar cases of light scattering spectra. In Section 2 we consider the linear response approximation, and the equation of motion for the many-body density matrix is solved to first order in the matter-radiation interaction. The often quoted fluctuation-dissipation theorem and the time-dependent, equilibrium correlation functions are discussed. Section 3 treats the problem of the local field. In Section 4 we consider the special case of collision-induced light scattering by atomic fluids in the low-density limit. This allows us to focus on determining the interaction polarizability for simple gases. Finally, in Section 5 we distinguish between collision-induced and multiple light scattering, and discuss the double-light-scattering analyses which provide new information about critical and thermodynamically unstable fluids. (KBE)

  13. In situ observation of surface reactions with synchrotron radiation induced semiconductor processes by infrared reflection absorption spectroscopy using buried metal layer substrates; Umekomi kinzokuso kiban wo mochiita sekigai hansha kyushu supekutoruho ni yoru hoshako reiki handotai process hanno no sonoba kansatsu

    Energy Technology Data Exchange (ETDEWEB)

    Yoshigoe, A.; Hirano, S. [The Graduate University for Advanced Studies, Yokohama (Japan); Mase, K.; Urisu, T. [Institute for Molecular Science, Aichi (Japan)

    1996-11-20

    It is known that infrared reflection absorption spectroscopy (IRAS) on semiconductor or insulator surfaces becomes practicable by using buried metal layer (BML) substrates, in which the metal thin film is buried order semiconductor or insulator films. In this work, IRAS has been measured for Langmuir-Blodgett films deposited on the BML substrate with SiO2/Al/Si(100) structure and the observed spectrum intensity has been quantitatively compared with the calculation assuming the ideal multilayer structure for the BML substrate. The BML-IRAS using CoSi2 has been adopted to the detection of SiHn on the Si (100) substrate during synchrotron radiation (SR) stimulated Si2H6 gas source molecular beam epitaxy. It has been found that SiH2 and SiH3 on the Si (100) surface are easily decomposed by SR, but SiH can`t be decomposed. From these experiments, it has been concluded that the BML-IRAS is an useful in situ observation technique for the photo-stimulated surface reactions. 26 refs., 9 figs.

  14. Forging Asteroid-Meteorite Relationships Through Reflectance Spectroscopy

    Science.gov (United States)

    Burbine, T. H.; Binzel, R. P.; Bus, S. J.; Buchanan, P. C.; Hinrichs, J. L.; Meibom, A.; Hiroi, T.; Sunshine, J. M.

    2000-01-01

    Near-infrared spectra were obtained for 196 asteroids as part of SMASSIR. SMASSIR focused on observing asteroids assumed to be one of the following: (1) olivine-rich, (2) objects with "Vesta-like spectra" (the "Vestoids"), and (3) postulated meteorite parent bodies.

  15. Terahertz reflection spectroscopy of Debye relaxation in polar liquids

    DEFF Research Database (Denmark)

    Møller, Uffe; Cooke, David; Tanaka, Koichiro

    2009-01-01

    Terahertz (THz) radiation interacts strongly with the intermolecular hydrogen-bond network in aqueous liquids. The dielectric properties of liquid water and aqueous solutions in the THz spectral region are closely linked to the microscopic dynamics of the liquid solution, and hence THz spectrosco...

  16. Auger electron spectroscopy, ionization loss spectroscopy, appearance potential spectroscopy

    International Nuclear Information System (INIS)

    Riwan, R.

    1973-01-01

    The spectroscopy of surfaces using an incident electron beam is studied. The fundamental mechanisms are discussed together with the parameters involved in Auger emission: excitation of the atom, de-excitation by electron emission, and the migration of electrons towards the surface and their ejection. Some examples of applications are given (surface structures, metallurgy, chemical information). Two new techniques for analyzing surfaces are studied: ionization spectroscopy, and appearance potential spectroscopy [fr

  17. Analysis of In-Situ Spectral Reflectance of Sago and Other Palms: Implications for Their Detection in Optical Satellite Images

    Science.gov (United States)

    Rendon Santillan, Jojene; Makinano-Santillan, Meriam

    2018-04-01

    We present a characterization, comparison and analysis of in-situ spectral reflectance of Sago and other palms (coconut, oil palm and nipa) to ascertain on which part of the electromagnetic spectrum these palms are distinguishable from each other. The analysis also aims to reveal information that will assist in selecting which band to use when mapping Sago palms using the images acquired by these sensors. The datasets used in the analysis consisted of averaged spectral reflectance curves of each palm species measured within the 345-1045 nm wavelength range using an Ocean Optics USB4000-VIS-NIR Miniature Fiber Optic Spectrometer. This in-situ reflectance data was also resampled to match the spectral response of the 4 bands of ALOS AVNIR-2, 3 bands of ASTER VNIR, 4 bands of Landsat 7 ETM+, 5 bands of Landsat 8, and 8 bands of Worldview-2 (WV2). Examination of the spectral reflectance curves showed that the near infra-red region, specifically at 770, 800 and 875 nm, provides the best wavelengths where Sago palms can be distinguished from other palms. The resampling of the in-situ reflectance spectra to match the spectral response of optical sensors made possible the analysis of the differences in reflectance values of Sago and other palms in different bands of the sensors. Overall, the knowledge learned from the analysis can be useful in the actual analysis of optical satellite images, specifically in determining which band to include or to exclude, or whether to use all bands of a sensor in discriminating and mapping Sago palms.

  18. ANALYSIS OF IN-SITU SPECTRAL REFLECTANCE OF SAGO AND OTHER PALMS: IMPLICATIONS FOR THEIR DETECTION IN OPTICAL SATELLITE IMAGES

    Directory of Open Access Journals (Sweden)

    J. R. Santillan

    2018-