WorldWideScience

Sample records for diffuse reflectance spectroscopic

  1. Skin lesion classification using oblique-incidence diffuse reflectance spectroscopic imaging.

    Science.gov (United States)

    Mehrübeoğlu, Mehrübe; Kehtarnavaz, Nasser; Marquez, Guillermo; Duvic, Madeleine; Wang, Lihong V

    2002-01-01

    We discuss the use of a noninvasive in vivo optical technique, diffuse reflectance spectroscopic imaging with oblique incidence, to distinguish between benign and cancer-prone skin lesions. Various image features were examined to classify the images from lesions into benign and cancerous categories. Two groups of lesions were processed separately: Group 1 includes keratoses, warts versus carcinomas; and group 2 includes common nevi versus dysplastic nevi. A region search algorithm was developed to extract both one- and two-dimensional spectral information. A bootstrap-based Bayes classifier was used for classification. A computer-assisted tool was then devised to act as an electronic second opinion to the dermatologist. Our approach generated only one false-positive misclassification out of 23 cases collected for group 1 and two misclassifications out of 34 cases collected for group 2 under the worst estimation condition.

  2. Pectin functionalised by fatty acids: Diffuse reflectance infrared Fourier transform (DRIFT) spectroscopic characterisation

    Science.gov (United States)

    Kamnev, Alexander A.; Calce, Enrica; Tarantilis, Petros A.; Tugarova, Anna V.; De Luca, Stefania

    2015-01-01

    Chemically modified pectin derivatives obtained by partial esterification of its hydroxyl moieties with fatty acids (FA; oleic, linoleic and palmitic acids), as well as the initial apple peel pectin were comparatively characterised using diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy. Characteristic changes observed in DRIFT spectra in going from pectin to its FA esters are related to the corresponding chemical modifications. Comparing the DRIFT spectra with some reported data on FTIR spectra of the same materials measured in KBr or NaCl matrices has revealed noticeable shifts of several polar functional groups both in pectin and in its FA-esterified products induced by the halide salts. The results obtained have implications for careful structural analyses of biopolymers with hydrophilic functional groups by means of different FTIR spectroscopic methodologies.

  3. Responses of Azospirillum brasilense to nitrogen deficiency and to wheat lectin: a diffuse reflectance infrared fourier transform (DRIFT) spectroscopic study.

    Science.gov (United States)

    Kamnev, Alexander A; Sadovnikova, Julia N; Tarantilis, Petros A; Polissiou, Moschos G; Antonyuk, Lyudmila P

    2008-11-01

    For the rhizobacterium Azospirillum brasilense, the optimal nutritional range of C:N ratios corresponds to the presence of malate (ca. 3 to 5 g l(-1) of its sodium salt) and ammonium (ca. 0.5 to 3 g l(-1) of NH4Cl) as preferred carbon and nitrogen sources, respectively. This microaerophilic aerotactic bacterium is known to have a narrow optimal oxygen concentration range of ca. 3 to 5 microM, which is 1.2% to 2% of oxygen solubility in air-saturated water under normal conditions. In this work, the effects of stress conditions (bound-nitrogen deficiency related to a high C:N ratio in the medium; excess of oxygen) on aerobically grown A. brasilense Sp245, a native wheat-associated endophyte, were investigated in the absence and presence of wheat germ agglutinin (WGA, plant stress protein and a molecular host-plant signal for the bacterium) using FTIR spectroscopy of whole cells in the diffuse reflectance mode (DRIFT). The nutritional stress resulted in the appearance of prominent spectroscopic signs of poly-3-hydroxybutyrate (PHB) accumulation in the bacterial cells; in addition, splitting of the amide I band related to bacterial cellular proteins indicated some stress-induced alterations in their secondary structure components. Similar structural changes were observed in the presence of nanomolar WGA both in stressed A. brasilense cells and under normal nutritional conditions. Comparative analysis of the data obtained and the relevant literature data indicated that the stress conditions applied (which resulted in the accumulation of PHB involved in stress tolerance) and/or the presence of nanomolar concentrations of WGA induced synthesis of bacterial cell-surface (glyco)proteins rich in beta-structures, that could be represented by hemagglutinin and/or porin.

  4. Reflective Inverse Diffusion

    Directory of Open Access Journals (Sweden)

    Kenneth Burgi

    2016-11-01

    Full Text Available Phase front modulation was previously used to refocus light after transmission through scattering media. This process has been adapted here to work in reflection. A liquid crystal spatial light modulator is used to conjugate the phase scattering properties of diffuse reflectors to produce a converging phase front just after reflection. The resultant focused spot had intensity enhancement values between 13 and 122 depending on the type of reflector. The intensity enhancement of more specular materials was greater in the specular region, while diffuse reflector materials achieved a greater enhancement in non-specular regions, facilitating non-mechanical steering of the focused spot. Scalar wave optics modeling corroborates the experimental results.

  5. Built-in hyperspectral camera for smartphone in visible, near-infrared and middle-infrared lights region (second report): sensitivity improvement of Fourier-spectroscopic imaging to detect diffuse reflection lights from internal human tissues for healthcare sensors

    Science.gov (United States)

    Kawashima, Natsumi; Hosono, Satsuki; Ishimaru, Ichiro

    2016-05-01

    We proposed the snapshot-type Fourier spectroscopic imaging for smartphone that was mentioned in 1st. report in this conference. For spectroscopic components analysis, such as non-invasive blood glucose sensors, the diffuse reflection lights from internal human skins are very weak for conventional hyperspectral cameras, such as AOTF (Acousto-Optic Tunable Filter) type. Furthermore, it is well known that the spectral absorption of mid-infrared lights or Raman spectroscopy especially in long wavelength region is effective to distinguish specific biomedical components quantitatively, such as glucose concentration. But the main issue was that photon energies of middle infrared lights and light intensities of Raman scattering are extremely weak. For improving sensitivity of our spectroscopic imager, the wide-field-stop & beam-expansion method was proposed. Our line spectroscopic imager introduced a single slit for field stop on the conjugate objective plane. Obviously to increase detected light intensities, the wider slit width of the field stop makes light intensities higher, regardless of deterioration of spatial resolutions. Because our method is based on wavefront-division interferometry, it becomes problems that the wider width of single slit makes the diffraction angle narrower. This means that the narrower diameter of collimated objective beams deteriorates visibilities of interferograms. By installing the relative inclined phaseshifter onto optical Fourier transform plane of infinity corrected optical systems, the collimated half flux of objective beams derived from single-bright points on objective surface penetrate through the wedge prism and the cuboid glass respectively. These two beams interfere each other and form the infererogram as spatial fringe patterns. Thus, we installed concave-cylindrical lens between the wider slit and objective lens as a beam expander. We successfully obtained the spectroscopic characters of hemoglobin from reflected lights from

  6. Cloud point extraction and diffuse reflectance-Fourier transform infrared spectroscopic determination of chromium(VI): A probe to adulteration in food stuffs.

    Science.gov (United States)

    Tiwari, Swapnil; Deb, Manas Kanti; Sen, Bhupendra K

    2017-04-15

    A new cloud point extraction (CPE) method for the determination of hexavalent chromium i.e. Cr(VI) in food samples is established with subsequent diffuse reflectance-Fourier transform infrared (DRS-FTIR) analysis. The method demonstrates enrichment of Cr(VI) after its complexation with 1,5-diphenylcarbazide. The reddish-violet complex formed showed λmax at 540nm. Micellar phase separation at cloud point temperature of non-ionic surfactant, Triton X-100 occurred and complex was entrapped in surfactant and analyzed using DRS-FTIR. Under optimized conditions, the limit of detection (LOD) and quantification (LOQ) were 1.22 and 4.02μgmL(-1), respectively. Excellent linearity with correlation coefficient value of 0.94 was found for the concentration range of 1-100μgmL(-1). At 10μgmL(-1) the standard deviation for 7 replicate measurements was found to be 0.11μgmL(-1). The method was successfully applied to commercially marketed food stuffs, and good recoveries (81-112%) were obtained by spiking the real samples. Copyright © 2016 Elsevier Ltd. All rights reserved.

  7. Refraction and reflection of diffusion fronts.

    Science.gov (United States)

    Remhof, A; Wijngaarden, R J; Griessen, R

    2003-04-11

    Diffusion waves form the basis of several measurement technologies in materials science as well as in biological systems. They are, however, so heavily damped that their observation is a real challenge to the experimentalist. We show that accurate information about the refraction-like and reflection-like behavior of diffusion waves can be obtained by studying diffusion fronts. For this we use hydrogen in a metal as a model system and visualize its 2D migration with an optical indicator. The similarities between classical optics and diffusion, in particular, the applicability of Snell's law to diffusive systems are discussed. Our measurements are in good agreement with numerical simulations.

  8. 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

    , but their low spatial resolution limits their validity ranges for the coefficients. To cover a wider range of coefficients, we use camera-based spectroscopic oblique incidence reflectometry. We develop a noninvasive technique for acquisition of apparent particle size distributions based on this approach. Our......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...... technique is validated using stable oil-in-water emulsions with a wide range of known particle size distributions. We also measure the apparent particle size distributions of complex dairy products. These results show that our tool, in contrast to those based on fiber probes, can deal with a range...

  9. Matrix methods for reflective inverse diffusion

    Science.gov (United States)

    Burgi, Kenneth W.; Marciniak, Michael A.; Nauyoks, Stephen E.; Oxley, Mark E.

    2016-09-01

    Reflective inverse diffusion is a method of refocusing light scattered by a rough surface. An SLM is used to shape the wavefront of a HeNe laser at 632.8-nm wavelength to produce a converging phase front after reflection. Iterative methods previously demonstrated intensity enhancements of the focused spot over 100 times greater than the surrounding background speckle. This proof-of-concept method was very time consuming and the algorithm started over each time the desired location of the focus spot in the observation plane was moved. Transmission matrices have been developed to control light scattered by transmission through a turbid media. Time varying phase maps are applied to an SLM and used to interrogate the phase scattering properties of the material. For each phase map, the resultant speckle intensity pattern is recorded less than 1 mm from the material surface and represents an observation plane of less than 0.02 mm2. Fourier transforms are used to extract the phase scattering properties of the material from the intensity measurements. We investigate the effectiveness this method for constructing the reflection matrix (RM) of a diffuse reflecting medium where the propagation distances and observation plane are almost 1,000 times greater than the previous work based on transmissive scatter. The RM performance is based on its ability to refocus reflectively scattered light to a single focused spot or multiple foci in the observation plane. Diffraction-based simulations are used to corroborate experimental results.

  10. Mid infrared upconversion spectroscopy using diffuse reflectance

    Science.gov (United States)

    Sanders, Nicolai; Kehlet, Louis; Dam, Jeppe Seidelin; Tidemand-Lichtenberg, Peter; Beato, Pablo; Pedersen, Christian

    2014-02-01

    We present a novel approach for mid infrared (mid-IR) spectral analysis using upconversion technology applied in a diffuse reflectance setup. We demonstrate experimentally that mid-IR spectral features in the 2.6-4 μm range using different test samples (e.g. zeolites) can be obtained. The results are in good agreement with published data. We believe that the benefit of low noise upconversion methods combined with spectral analysis will provide an alternative approach to e.g. mid-IR Fourier Transform microscopy. We discuss in detail the experimental aspects of the proposed method. The upconversion unit consists of a PP:LN crystal situated as an intracavity component in a Nd:YVO4 laser. Mixing incoming spectrally and spatially incoherent light from the test sample with the high power intracavity beam of the Nd:YVO4 laser results in enhanced conversion efficiency. The upconverted light is spectrally located in the near infrared (NIR) wavelength region easily accessible for low noise Silicon CCD camera technology. Thus the room temperature upconversion unit and the Silicon CCD camera replaces noisy mid infrared detectors used in existing Fourier Transform Infrared Spectroscopy. We demonstrate 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 scattering or absorbing samples.

  11. Mid infrared upconversion spectroscopy using diffuse reflectance

    DEFF Research Database (Denmark)

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

    2014-01-01

    We present a novel approach for mid infrared (mid-IR) spectral analysis using upconversion technology applied in a diffuse reflectance setup. We demonstrate experimentally that mid-IR spectral features in the 2.6-4 μm range using different test samples (e.g. zeolites) can be obtained. The results...... are in good agreement with published data. We believe that the benefit of low noise upconversion methods combined with spectral analysis will provide an alternative approach to e.g. mid-IR Fourier Transform microscopy. We discuss in detail the experimental aspects of the proposed method. The upconversion unit...... located in the near infrared (NIR) wavelength region easily accessible for low noise Silicon CCD camera technology. Thus the room temperature upconversion unit and the Silicon CCD camera replaces noisy mid infrared detectors used in existing Fourier Transform Infrared Spectroscopy. We demonstrate...

  12. Discriminating Yogurt Microstructure Using Diffuse Reflectance Images

    DEFF Research Database (Denmark)

    Skytte, Jacob Lercke; Møller, Flemming; Abildgaard, Otto Højager Attermann;

    2015-01-01

    modalities is evaluated on a 24 factorial design covering four common production parameters, which significantly change the chemistry and the microstructure of the yogurt. It is found that the DRIs can be as discriminative as the CSLM images in certain cases, however the performance is highly governed...... microstructures using hyperspectral (500-900nm) diffuse reflectance images (DRIs) – a technique potentially well suited for inline process control. Comparisons are made to quantified measures of the yogurt microstructure observed through confocal scanning laser microscopy (CSLM). The output signal from both...... by the chemistry of the sample. Also, the DRIs shows better correlation to the CSLM images and are more discriminative when considering shorter wavelengths....

  13. Multiple Andreev reflections in diffusive SNS structures

    DEFF Research Database (Denmark)

    Taboryski, Rafael Jozef; Kutchinsky, Jonatan; Hansen, Jørn Bindslev;

    1999-01-01

    dips is half the spacing of the n = 2 dips. The voltage bias positions of the subgap differential resistance minima coincide with the maxima in the. oscillation amplitude when a magnetic field is applied in an interferometer configuration, where one of the superconducting electrodes has been replaced......We report new measurements on subgap energy structures originating from multiple Andreev reflections in mesoscopic SNS junctions. The junctions were fabricated in a planar geometry with high-transparency superconducting contacts of Al deposited on highly diffusive and surface delta-doped n......(++)-GaAs. For samples with a normal GaAs region of active length 0.3 mu m, the Josephson effect with a maximal supercunent I-C = 3 mu A at T = 237 mK was observed. The subgap structure was observed as a series of local minima in the differential resistance at de bias voltages V = +/-2 Delta/(ne) with n = 1, 2, 4, i...

  14. Sound field in long rooms with diffusely reflecting boundaries

    DEFF Research Database (Denmark)

    Picaut, Judicaël; Simon, Laurent; Polack, Jean-Dominique

    1999-01-01

    A diffusion equation is used to predict the sound propagation in long rooms with diffusely reflecting boundaries. The model is defined by two parameters, the coefficient of diffusion depending on the mean free path, and an exchange coefficient expressing wall absorption. The diffusion equation...

  15. Diffuse reflectance measurement tool for laparoscopic surgery

    Science.gov (United States)

    Giardini, Mario E.; Klemm, Annett B.; Di Falco, Andrea; Krauss, Thomas F.

    2010-04-01

    Continuous-wave diffuse reflectance or Near Infrared Spectroscopy (NIRS) offers the possibility to perform a preliminary screening of tissue for ischemia or other tissue anomalies. A tool for intracavity NIRS measurements during laparoscopic surgery, developed within the framework of the FP7-IP ARAKNES (Array of Robots Augmenting the KiNematics of Endoluminal Surgery) project, is described. It consists of a probe, that is located on the tip of an appropriately shaped laparoscopic manipulator and then applied to the tissue. Such a probe employs an array of incoherent semiconductor light sources (LEDs) frequency-multiplexed on a single detector using a lock-in technique. The resulting overall tool structure is simple and compact, and allows efficient coupling of the emitted light towards the tissue. The tool has high responsivity and enables fast and accurate measurements. A dataset gathered from in-vivo tissue is presented. The performance both indicates direct applicability of the tool to significant surgical issues (ischemia detection), and clearly indicates the possibility of further miniaturizing the probe head towards catheterized approaches.

  16. Tailoring diffuse reflectance of inhomogeneous films containing microplatelets

    Energy Technology Data Exchange (ETDEWEB)

    Slovick, Brian A., E-mail: brian.slovick@sri.com; Baker, John M.; Flom, Zachary; Krishnamurthy, Srini [Applied Optics Laboratory, SRI International, Menlo Park, California 94025 (United States)

    2015-10-05

    We develop an analytical model for calculating the diffuse reflectance of inhomogeneous films containing aligned microplatelets with diameters much greater than the wavelength. The scattering parameters are derived by modeling the platelets as one-dimensional thin films, and the overall diffuse reflectance of the slab is calculated using the Kubelka-Munk model. Our model predicts that reflection minima and maxima arising from coherent interference within the platelets are preserved in the diffuse reflectance of the disordered slab. Experimental validation of the model is provided by reflectance measurements (0.3–15 μm) of a solid aerosol film of aligned hexagonal boron nitride platelets.

  17. Characterization of Stationary Distributions of Reflected Diffusions

    Science.gov (United States)

    2014-01-01

    by Echeverria for (unconstrained) diffusions on a locally compact separable metric space E [19]. It follows from Echever- ria’s work that, given...2000). A multiclass feedback queueing network with a regular Skorokhod problem. Queueing Systems, 36, 327–349. [19] Echeverria , P. (1982). A criterion

  18. Diffusion-relaxation correlation spectroscopic imaging: A multidimensional approach for probing microstructure.

    Science.gov (United States)

    Kim, Daeun; Doyle, Eamon K; Wisnowski, Jessica L; Kim, Joong Hee; Haldar, Justin P

    2017-03-19

    To propose and evaluate a novel multidimensional approach for imaging subvoxel tissue compartments called Diffusion-Relaxation Correlation Spectroscopic Imaging. Multiexponential modeling of MR diffusion or relaxation data is commonly used to infer the many different microscopic tissue compartments that contribute signal to macroscopic MR imaging voxels. However, multiexponential estimation is known to be difficult and ill-posed. Observing that this ill-posedness is theoretically reduced in higher dimensions, diffusion-relaxation correlation spectroscopic imaging uses a novel multidimensional imaging experiment that jointly encodes diffusion and relaxation information, and then uses a novel constrained reconstruction technique to generate a multidimensional diffusion-relaxation correlation spectrum for every voxel. The peaks of the multidimensional spectrum are expected to correspond to the distinct tissue microenvironments that are present within each macroscopic imaging voxel. Using numerical simulations, experiment data from a custom-built phantom, and experiment data from a mouse model of traumatic spinal cord injury, diffusion-relaxation correlation spectroscopic imaging is demonstrated to provide substantially better multicompartment resolving power compared to conventional diffusion- and relaxation-based methods. The diffusion-relaxation correlation spectroscopic imaging approach provides powerful new capabilities for resolving the different components of multicompartment tissue models, and can be leveraged to significantly expand the insights provided by MRI in studies of tissue microstructure. Magn Reson Med, 2017. © 2017 International Society for Magnetic Resonance in Medicine. © 2017 International Society for Magnetic Resonance in Medicine.

  19. Estimating soil quality indicators with diffuse reflectance spectroscopy

    Science.gov (United States)

    Rapid estimation of soil quality is needed for determining and mapping soil variability in site-specific management. One technology that can fulfill this need is diffuse reflectance spectroscopy, which measures light reflected from the soil in the visible and near infrared wavelength bands. Reflecta...

  20. Does the spectral format matter in diffuse reflection spectroscopy?

    Science.gov (United States)

    Reeves, James B

    2009-06-01

    Near-infrared, and more recently, mid-infrared diffuse reflection spectroscopy (more commonly and erroneously called reflectance spectroscopy) have come to be extensively used to determine the composition of products ranging from forages and drugs to soils. In these methods, spectra are generally collected as reflectance or R and transformed to log (1/reflectance). However, some near-infrared researchers do not transform the data, but use the data directly as reflectance. As it is generally held that procedures such as partial least squares regression do not work well with nonlinear data and the log (1/reflectance) transformation is held to be a best effort at linearization for near-infrared diffuse reflection spectral data, the question arises as to why then does not everyone transform the data? The objective of this work was to investigate this question using near-infrared and mid-infrared spectra in various formats. Calibrations were developed using spectral data from forages in several formats: reflectance, log (1/reflectance), non-background corrected single beam spectra, interferograms, and Kubelka-Munk transformed data. Calibrations were developed using both non-pretreated spectra and using data pretreatments such as derivatives. Results showed that calibrations using partial least squares regression did not require any specific data format. Accurate calibrations were developed for fiber, digestibility, and protein measures in forages using any of the aforementioned spectral formats including non-background-corrected single beam spectra and even interferograms. While calibrations could be developed using any of the formats, results indicated that those using Kubelka-Munk and especially interferograms did not perform as well as the others, although they were still quite good. In conclusion, results using forage spectra indicated that accurate and equivalent calibrations can be developed using diffuse reflectance data, with (reflectance) or without background

  1. Modeling diffuse reflectance measurements of light scattered by layered tissues

    Science.gov (United States)

    Rohde, Shelley B.

    In this dissertation, we first present a model for the diffuse reflectance due to a continuous beam incident normally on a half space composed of a uniform scattering and absorbing medium. This model is the result of an asymptotic analysis of the radiative transport equation for strong scattering, weak absorption and a defined beam width. Through comparison with the diffuse reflectance computed using the numerical solution of the radiative transport equation, we show that this diffuse reflectance model gives results that are accurate for small source-detector separation distances. We then present an explicit model for the diffuse reflectance due to a collimated beam of light incident normally on layered tissues. This model is derived using the corrected diffusion approximation applied to a layered medium, and it takes the form of a convolution with an explicit kernel and the incident beam profile. This model corrects the standard diffusion approximation over all source-detector separation distances provided the beam is sufficiently wide compared to the scattering mean-free path. We validate this model through comparison with Monte Carlo simulations. Then we use this model to estimate the optical properties of an epithelial layer from Monte Carlo simulation data. Using measurements at small source-detector separations and this model, we are able to estimate the absorption coefficient, scattering coefficient and anisotropy factor of epithelial tissues efficiently with reasonable accuracy. Finally, we present an extension of the corrected diffusion approximation for an obliquely incident beam. This model is formed through a Fourier Series representation in the azimuthal angle which allows us to exhibit the break in axisymmetry when combined with the previous analysis. We validate this model with Monte Carlo simulations. This model can also be written in the form of a convolution of an explicit kernel with the incident beam profile. Additionally, it can be used to

  2. Attenuated total reflection-Fourier transform infrared spectroscopic imaging of pharmaceuticals in microfluidic devices.

    Science.gov (United States)

    Ewing, Andrew V; Clarke, Graham S; Kazarian, Sergei G

    2016-03-01

    The poor aqueous solubility of many active pharmaceutical ingredients presents challenges for effective drug delivery. In this study, the combination of attenuated total reflection (ATR)-FTIR spectroscopic imaging with specifically designed polydimethylsiloxane microfluidic devices to study drug release from pharmaceutical formulations has been developed. First, the high-throughput analysis of the dissolution of micro-formulations studied under flowing conditions has been introduced using a model formulation of ibuprofen and polyethylene glycol. The behaviour and release of the drug was monitored in situ under different pH conditions. In contrast to the neutral solution, where both the drug and excipient dissolved at a similar rate, structural change from the molecularly dispersed to a crystalline form of ibuprofen was characterised in the obtained spectroscopic images and the corresponding ATR-FTIR spectra for the experiments carried out in the acidic medium. Further investigations into the behaviour of the drug after its release from formulations (i.e., dissolved drug) were also undertaken. Different solutions of sodium ibuprofen dissolved in a neutral medium were studied upon contact with acidic conditions. The phase transition from a dissolved species of sodium ibuprofen to the formation of solid crystalline ibuprofen was revealed in the microfluidic channels. This innovative approach could offer a promising platform for high-throughput analysis of a range of micro-formulations, which are of current interest due to the advent of 3D printed pharmaceutical and microparticulate delivery systems. Furthermore, the ability to study dissolved drug in solution under flowing conditions can be useful for the studies of the diffusion of drugs into tissues or live cells.

  3. Diffuse reflectance spectroscopy: towards clinical application in breast cancer

    NARCIS (Netherlands)

    Evers, D.J.; Nachabe, R.; Vrancken Peeters, M.J.; Hage, van der J.A.; Oldenburg, H.S.; Rutgers, E.J.; Lucassen, G.W.; Hendriks, B.H.; Wesseling, J.; Ruers, T.J.M.

    2013-01-01

    Diffuse reflectance spectroscopy (DRS) is a promising new technique for breast cancer diagnosis. However, inter-patient variation due to breast tissue heterogeneity may interfere with the accuracy of this technique. To tackle this issue, we aim to determine the diagnostic accuracy of DRS in individu

  4. A photometric function for diffuse reflection by particulate materials

    Science.gov (United States)

    Meador, W. E.; Weaver, W. R.

    1975-01-01

    A photometric function is proposed to describe the diffuse reflection of radiation by particulate materials. Both multiple scattering and the dominant effects of particle shadowing are included and the function is verified by comparisons with the photometries of laboratory surfaces. Brightness measurements of planetary and other diffusely scattering surfaces can be used to calculate the brightness for geometries other than those used in the measurements and for which the Minnaert function does not apply. The measurements also can be directly related to such surface characteristics as particle size, single-particle albedo, and compactness.

  5. Photothermal Radiometry and Diffuse Reflectance Analysis of Thermally Treated Bones

    Science.gov (United States)

    Trujillo, S.; Martínez-Torres, P.; Quintana, P.; Alvarado-Gil, Juan Jose

    2010-05-01

    Different fields such as archaeology, biomedicine, forensic science, and pathology involve the analysis of burned bones. In this work, the effects of successive thermal treatments on pig long bones, measured by photothermal radiometry and diffuse reflectance are reported. Measurements were complemented by X-ray diffraction and infrared spectroscopy. Samples were thermally treated for 1 h within the range of 25 °C to 350 °C. The thermal diffusivity and reflectance increase in the low-temperature range, reaching a maximum around 125 °C and decaying at higher temperatures. These results are the consequence of complex modifications occurring in the inorganic and organic bone structure. For lower temperatures dehydration, dehydroxilation, and carbonate loss processes are dominant, followed by collagen denaturing and decompositions, which have an influence on the bone microstructure.

  6. Light reflection visualization to determine solute diffusion into clays.

    Science.gov (United States)

    Yang, Minjune; Annable, Michael D; Jawitz, James W

    2014-06-01

    Light reflection visualization (LRV) experiments were performed to investigate solute diffusion in low-permeability porous media using a well-controlled two-dimensional flow chamber with a domain composed of two layers (one sand and one clay). Two different dye tracers (Brilliant Blue FCF and Ponceau 4R) and clay domains (kaolinite and montmorillonite) were used. The images obtained through the LRV technique were processed to monitor two-dimensional concentration distributions in the low-permeability zone by applying calibration curves that related light intensity to equilibrium concentrations for each dye tracer in the clay. One dimensional experimentally-measured LRV concentration profiles in the clay were found to be in very good agreement with those predicted from a one-dimensional analytical solution, with coefficient of efficiency values that exceeded 0.97. The retardation factors (R) for both dyes were relatively large, leading to slow diffusive penetration into the clays. At a relative concentration C/C0=0.1, Brilliant Blue FCF in kaolinite (R=11) diffused approximately 10 mm after 21 days of source loading, and Ponceau 4R in montmorillonite (R=7) diffused approximately 12 mm after 23 days of source loading. The LRV experimentally-measured two-dimensional concentration profiles in the clay were also well described by a simple analytical solution. The results from this study demonstrate that the LRV approach is an attractive non-invasive tool to investigate the concentration distribution of dye tracers in clays in laboratory experiments.

  7. Characterization of water molecular state in in-vivo thick tissues using diffuse optical spectroscopic imaging

    Science.gov (United States)

    Chung, So Hyun

    Structural changes in water molecules are related to physiological, anatomical and pathological properties of tissues. Near infrared (NIR) optical absorption methods are sensitive to water; however, detailed characterization of water in thick tissues is difficult to achieve because subtle spectral shifts can be obscured by multiple light scattering. In the NIR, a water absorption peak is observed around 975 nm. The precise NIR peak's shape and position are highly sensitive to water molecular disposition. A bound water index (BWI) was developed that quantifies the spectral shift and shape changes observed in tissue water absorption spectra measured by broadband diffuse optical spectroscopic imaging (DOSI). DOSI quantitatively measures light absorption and scattering spectra in cm-deep tissues and therefore reveals bound water spectral shifts. BWI as a water state index was validated by comparing broadband DOSI to MRI and a conductivity cell using bound water phantoms. Non-invasive BWI measurements of malignant and normal tissues in 18 subjects showed a significantly higher fraction of free water in malignant tissues (pbreast cancer patients. The BWI and ADC correlated (R=0.8, p=<0.01) and both parameters decreased with increasing bulk water content in cancer tissues. Although BWI and ADC are positively correlated in vivo, BWI appears to be more sensitive to free water in the extracellular matrix while ADC reflects increased tumor cellularity. The relationship between ADC, BWI and bulk water concentration suggests that both parameters have potential for assessing tumor histopathological grade. My results confirm the importance of water as a critical tissue component that can potentially provide unique insight into the molecular pathophysiology of cancer.

  8. Diffuse reflection FTIR spectral database of dyes and pigments.

    Science.gov (United States)

    Silva, Carlos Eduardo; Silva, Luciana P; Edwards, Howell G M; de Oliveira, Luiz Fernando C

    2006-12-01

    24 Pigments commonly used in art have been characterized by diffuse reflection infrared spectroscopy (DR). All of the compounds have also been characterized by means of infrared absorption spectroscopy to demonstrate the reliability of the DR technique. This is the first record of the use of this technique as an analytical tool in conservation science, and the results appear to be promising for the identification of unknown pigments used on historical and artwork artifacts. Although the DR technique used here is not nondestructive, it can still be usefully applied to the analysis of artwork since it requires only a very small quantity of sample for analysis.

  9. Plutonium in monazite and brabantite: Diffuse reflectance spectroscopy study

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Yingjie [Institute of Materials Engineering, Australian Nuclear Science and Technology Organisation, PMB 1, Menai, NSW 2234 (Australia)], E-mail: yzx@ansto.gov.au; Vance, Eric R. [Institute of Materials Engineering, Australian Nuclear Science and Technology Organisation, PMB 1, Menai, NSW 2234 (Australia)

    2008-04-30

    The valence states of plutonium (Pu) in monazite and brabantite have been studied by using diffuse reflectance spectroscopy. In the absence of charge compensators, Pu exists mainly as trivalent ions in air-fired monazites and only trivalent ions in argon-fired monazites. However, with added Ca{sup 2+}/Pb{sup 2+} as charge compensators Pu can exist as tetravalent ions. Published data on absorption spectra of both trivalent and tetravalent Pu ions in the monazite structure have been extended to the mid near infrared region (4000 cm{sup -1})

  10. Interaction of mineral surfaces with simple organic molecules by diffuse reflectance IR spectroscopy (DRIFT)

    Energy Technology Data Exchange (ETDEWEB)

    Thomas, Joan E.; Kelley, Michael J.

    2008-06-01

    Diffuse reflectance Fourier-transform infrared spectroscopy (DRIFTS) was used to characterize multi-layers of lysine, glutamic acid and salicylic acid on -alumina and kaolinite surfaces. The results agreed well with those previously obtained by ATR-IR in aqueous media where available, indicating that DRIFT may be regarded as effectively an in-situ spectroscopy for these materials. In the case of salicylic acid adsorption onto γ-alumina, DRIFTS was used to identify monolayer coverage and to detect molecules down to coverage of 3% of a monolayer. The spectroscopic results as to coverage were confirmed by analysis of the solutions used for treatment. The spectra obtained allowed identification of changes in the bonding environment with increasing surface coverage. DRIFTS, offers several advantages in terms of materials, experimental technique and data treatment, motivating further investigations.

  11. Analytical model of diffuse reflectance spectrum of skin tissue

    Science.gov (United States)

    Lisenko, S. A.; Kugeiko, M. M.; Firago, V. A.; Sobchuk, A. N.

    2014-01-01

    We have derived simple analytical expressions that enable highly accurate calculation of diffusely reflected light signals of skin in the spectral range from 450 to 800 nm at a distance from the region of delivery of exciting radiation. The expressions, taking into account the dependence of the detected signals on the refractive index, transport scattering coefficient, absorption coefficient and anisotropy factor of the medium, have been obtained in the approximation of a two-layer medium model (epidermis and dermis) for the same parameters of light scattering but different absorption coefficients of layers. Numerical experiments on the retrieval of the skin biophysical parameters from the diffuse reflectance spectra simulated by the Monte Carlo method show that commercially available fibre-optic spectrophotometers with a fixed distance between the radiation source and detector can reliably determine the concentration of bilirubin, oxy- and deoxyhaemoglobin in the dermis tissues and the tissue structure parameter characterising the size of its effective scatterers. We present the examples of quantitative analysis of the experimental data, confirming the correctness of estimates of biophysical parameters of skin using the obtained analytical expressions.

  12. Diffuse reflectance FTIR of stains on grit blasted metals

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-08-09

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

  13. Analytical model of diffuse reflectance spectrum of skin tissue

    Energy Technology Data Exchange (ETDEWEB)

    Lisenko, S A; Kugeiko, M M; Firago, V A [Belarusian State University, Minsk (Belarus); Sobchuk, A N [B.I. Stepanov Institute of Physics, National Academy of Sciences of Belarus, Minsk (Belarus)

    2014-01-31

    We have derived simple analytical expressions that enable highly accurate calculation of diffusely reflected light signals of skin in the spectral range from 450 to 800 nm at a distance from the region of delivery of exciting radiation. The expressions, taking into account the dependence of the detected signals on the refractive index, transport scattering coefficient, absorption coefficient and anisotropy factor of the medium, have been obtained in the approximation of a two-layer medium model (epidermis and dermis) for the same parameters of light scattering but different absorption coefficients of layers. Numerical experiments on the retrieval of the skin biophysical parameters from the diffuse reflectance spectra simulated by the Monte Carlo method show that commercially available fibre-optic spectrophotometers with a fixed distance between the radiation source and detector can reliably determine the concentration of bilirubin, oxy- and deoxyhaemoglobin in the dermis tissues and the tissue structure parameter characterising the size of its effective scatterers. We present the examples of quantitative analysis of the experimental data, confirming the correctness of estimates of biophysical parameters of skin using the obtained analytical expressions. (biophotonics)

  14. Adaptive weak approximation of reflected and stopped diffusions

    KAUST Repository

    Bayer, Christian

    2010-01-01

    We study the weak approximation problem of diffusions, which are reflected at a subset of the boundary of a domain and stopped at the remaining boundary. First, we derive an error representation for the projected Euler method of Costantini, Pacchiarotti and Sartoretto [Costantini et al., SIAM J. Appl. Math., 58(1):73-102, 1998], based on which we introduce two new algorithms. The first one uses a correction term from the representation in order to obtain a higher order of convergence, but the computation of the correction term is, in general, not feasible in dimensions d > 1. The second algorithm is adaptive in the sense of Moon, Szepessy, Tempone and Zouraris [Moon et al., Stoch. Anal. Appl., 23:511-558, 2005], using stochastic refinement of the time grid based on a computable error expansion derived from the representation. Regarding the stopped diffusion, it is based in the adaptive algorithm for purely stopped diffusions presented in Dzougoutov, Moon, von Schwerin, Szepessy and Tempone [Dzougoutov et al., Lect. Notes Comput. Sci. Eng., 44, 59-88, 2005]. We give numerical examples underlining the theoretical results. © de Gruyter 2010.

  15. Multiparametric Characterization of Grade 2 Glioma Subtypes Using Magnetic Resonance Spectroscopic, Perfusion, and Diffusion Imaging1

    Science.gov (United States)

    Bian, Wei; Khayal, Inas S; Lupo, Janine M; McGue, Colleen; Vandenberg, Scott; Lamborn, Kathleen R; Chang, Susan M; Cha, Soonmee; Nelson, Sarah J

    2009-01-01

    BACKGROUND AND PURPOSE: The purpose of this study was to derive quantitative parameters from magnetic resonance (MR) spectroscopic, perfusion, and diffusion imaging of grade 2 gliomas according to the World Health Organization and to investigate how these multiple imaging modalities can contribute to evaluating their histologic subtypes and spatial characteristics. MATERIALS AND METHODS: MR spectroscopic, perfusion, and diffusion images from 56 patients with newly diagnosed grade 2 glioma (24 oligodendrogliomas, 18 astrocytomas, and 14 oligoastrocytomas) were retrospectively studied. Metabolite intensities, relative cerebral blood volume (rCBV), and apparent diffusion coefficient (ADC) were statistically evaluated. RESULTS: The 75th percentile rCBV and median ADC were significantly different between oligodendrogliomas and astrocytomas (P < .0001) and between oligodendrogliomas and oligoastrocytomas (P < .001). Logistic regression analysis identified both 75th percentile rCBV and median ADC as significant variables in the differentiation of oligodendrogliomas from astrocytomas and oligoastrocytomas. Group differences in metabolite intensities were not significant, but there was a much larger variation in the volumes and maximum values of metabolic abnormalities for patients with oligodendroglioma compared with the other tumor subtypes. CONCLUSIONS: Perfusion and diffusion imaging provide quantitative MR parameters that can help to differentiate grade 2 oligodendrogliomas from grade 2 astrocytomas and oligoastrocytomas. The large variations in the magnitude and spatial extent of the metabolic lesions between patients and the fact that their values are not correlated with the other imaging parameters indicate that MR spectroscopic imaging may provide complementary information that is helpful in targeting therapy, evaluating residual disease, and assessing response to therapy. PMID:19956389

  16. Monitoring structure development in milk acidification using diffuse reflectance profiles

    DEFF Research Database (Denmark)

    Skytte, Jacob Lercke; Andersen, Ulf; Møller, Flemming

    2012-01-01

    -optical tuneable filter to illuminate the sample. The generated beam is spectrally narrow and can be tuned in the spectral range from 450-1050 nm. This system is described in detail in [3]. It is a research platform, which is constantly developed and adjusted according to research needs. Besides providing a non....... It is therefore essential to monitor these structural changes and a variety of methods have been proposed to continuously follow this coagulation of milk [1]. Especially non-invasive methods for in situ production line application have been of interest. We propose a method for analyzing structural changes in milk......-invasive method, the system also has potential as a design platform for creating specialized and cost-efficient vision systems. Our preliminary results are highly encouraging and show a clear relation between rheology and diffuse reflectance. A factorial experiment studying the effects of the content of fat...

  17. Low-Cost Dielectric Reflective Surface for Low-Level Backscattered Diffuse Reflections

    Science.gov (United States)

    Al-Nuaimi, Mustafa K. Taher; Hong, Wei; Gao, Xiqi

    2017-02-01

    This article presents the design of non-subwavelength, non-resonant, and non-absorptive dielectric surface that creates a low-level backward diffuse reflections under illumination of a far-field plane wave at millimeter wave regime. Thus, radar cross section reduction of a solid metallic object can be achieved. The dielectric surface is consist of unit cells of only two different electric permittivity ( ɛ r1 = 6.14 and ɛ r2 = 3.49) distributed across the surface aperture to achieve low-level backscattered diffuse reflections. The unit cells used are having non-subwavelength size (0.53λ80GHz) which ensures an easier fabrication of the presented surface using low cost simple PCB technology, in particular at high frequencies. RCS reduction of more than 10 dBsm is achieved from 70 to 87 GHz (BW ≈ 21.65 %) using the presented dielectric surface of optimized permittivity distribution. The RCS reduction capabilities of the presented surface are studied theoretically under both normal and oblique incidences and then fabricated and verified experimentally by reflectivity measurements.

  18. Detection of propranolol in pharmaceutical formulations by diffuse reflectance spectroscopy

    Science.gov (United States)

    Gotardo, Mara Andréia; Tognolli, João Olímpio; Pezza, Helena Redigolo; Pezza, Leonardo

    2008-04-01

    This paper describes an analytical reflectometric method that has an objective not only the industrial quality control but also to detect possible falsifications and/or adulterations of propranolol in pharmaceutical formulations. The method is based on the diffuse reflectance measurements of the colored product (III) of the spot test reaction between propranolol hydrochloride (I) and 2,6-dichloroquinone-4-chloroimide (II) using filter paper as solid support. Spot test conditions have been investigated using experimental design in order to identify and optimize the critical factors. The factors evaluated were DCQ concentration, propranolol solvent and DCQ solvent. The best reaction conditions were achieved with the addition of 30 μL of propranolol solution in ethanol 35% (v/v) and 30 μL of DCQ solution at 70 mg mL -1 in acetone, in this order. All reflectance measurements were carried out at 500 nm and the linear range was from 8.45 × 10 -4 to 8.45 × 10 -2 mol L -1 ( r = 0.998). The limit of detection was 1.01 × 10 -4 mol L -1. No interference was observed from the assessed excipients and drugs. The method was applied to determine propranolol in commercial brands of pharmaceuticals. The results obtained by the proposed method were favorably compared with those given by the British Pharmacopoeia procedure.

  19. Degradation nonuniformity in the solar diffuser bidirectional reflectance distribution function.

    Science.gov (United States)

    Sun, Junqiang; Chu, Mike; Wang, Menghua

    2016-08-01

    The assumption of angular dependence stability of the solar diffuser (SD) throughout degradation is critical to the on-orbit calibration of the reflective solar bands (RSBs) in many satellite sensors. Recent evidence has pointed to the contrary, and in this work, we present a thorough investigative effort into the angular dependence of the SD degradation for the Visible Infrared Imaging Radiometer Suite (VIIRS) onboard the Suomi National Polar-orbiting Partnership (SNPP) satellite and for the twin Moderate-resolution Imaging Spectroradiometer (MODIS) onboard Terra and Aqua spacecrafts. One common key step in the RSB calibration is the use of the SD degradation performance measured by an accompanying solar diffuser stability monitor (SDSM) as a valid substitute for the SD degradation factor in the direction of the RSB view. If SD degradations between these two respective directions do not maintain the same relative relationship over time, then the unmitigated use of the SDSM-measured SD degradation factor in the RSB calibration calculation will generate bias, and consequently, long-term drift in derived science products. We exploit the available history of the on-orbit calibration events to examine the response of the SDSM and the RSB detectors to the incident illumination reflecting off SD versus solar declination angle and show that the angular dependency, particularly at short wavelengths, evolves with respect to time. The generalized and the decisive conclusion is that the bidirectional reflectance distribution function (BRDF) of the SD degrades nonuniformly with respect to both incident and outgoing directions. Thus, the SDSM-based measurements provide SD degradation factors that are biased relative to the RSB view direction with respect to the SD. The analysis also reveals additional interesting phenomena, for example, the sharp behavioral change in the evolving angular dependence observed in Terra MODIS and SNPP VIIRS. For SNPP VIIRS the mitigation for this

  20. A method for monitoring of oxygen saturation changes in brain tissue using diffuse reflectance spectroscopy.

    Science.gov (United States)

    Rejmstad, Peter; Johansson, Johannes D; Haj-Hosseini, Neda; Wårdell, Karin

    2017-03-01

    Continuous measurement of local brain oxygen saturation (SO2 ) can be used to monitor the status of brain trauma patients in the neurocritical care unit. Currently, micro-oxygen-electrodes are considered as the "gold standard" in measuring cerebral oxygen pressure (pO2 ), which is closely related to SO2 through the oxygen dissociation curve (ODC) of hemoglobin, but with the drawback of slow in response time. The present study suggests estimation of SO2 in brain tissue using diffuse reflectance spectroscopy (DRS) for finding an analytical relation between measured spectra and the SO2 for different blood concentrations. The P3 diffusion approximation is used to generate a set of spectra simulating brain tissue for various levels of blood concentrations in order to estimate SO2 . The algorithm is evaluated on optical phantoms mimicking white brain matter (blood volume of 0.5-2%) where pO2 and temperature is controlled and on clinical data collected during brain surgery. The suggested method is capable of estimating the blood fraction and oxygen saturation changes from the spectroscopic signal and the hemoglobin absorption profile.

  1. In situ permeation study of drug through the stratum corneum using attenuated total reflection Fourier transform infrared spectroscopic imaging

    Science.gov (United States)

    Andanson, Jean-Michel; Hadgraft, Jonathan; Kazarian, Sergei G.

    2009-05-01

    Infrared (IR) spectroscopy is one of the most chemically specific analytical methods that gives information about composition, structure, and interactions in a material. IR spectroscopy has been successfully applied to study the permeation of xenobiotics through the skin. Combining IR spectroscopy with an IR array detector led to the development of Fourier transform infrared (FTIR) spectroscopic imaging, which generates chemical information from different areas of a sample at the microscopic level. This is particularly important for heterogeneous samples, such as skin. Attenuated total reflection (ATR)-FTIR imaging has been applied to measure, in situ, the diffusion of benzyl nicotinate (BN) through the outer layer of human skin [stratum corneum (SC)]. In vitro experiments have demonstrated the heterogeneous distribution of SC surface lipids before the penetration of a saturated solution of BN. Image analysis demonstrated a strong correlation between the distribution of lipids and drugs, while ethanol appeared to be homogenously distributed in the SC. These results show the ability of ATR-FTIR imaging to measure simultaneously the affinities of drug and solvent to the lipid-rich and lipid-poor skin domains, respectively, during permeation. This information may be useful in better understanding drug-diffusion pathways through the SC.

  2. 'Combined reflectance stratigraphy' - subdivision of loess successions by diffuse reflectance spectrometry (DRS)

    Science.gov (United States)

    Szeberényi, Jozsef; Bradak-Hayashi, Balázs; Kiss, Klaudia; Kovács, József; Varga, György; Balázs, Réka; Szalai, Zoltán; Viczián, István

    2016-04-01

    The different varieties of loess (and intercalated paleosol layers) together constitute one of the most widespread terrestrial sediments, which was deposited, altered, and redeposited in the course of the changing climatic conditions of the Pleistocene. To reveal more information about Pleistocene climate cycles and/or environments the detailed lithostratigraphical subdivision and classification of the loess variations and paleosols are necessary. Beside the numerous method such as various field measurements, semi-quantitative tests and laboratory investigations, diffuse reflectance spectroscopy (DRS) is one of the well applied method on loess/paleosol sequences. Generally, DRS has been used to separate the detrital and pedogenic mineral component of the loess sections by the hematite/goethite ratio. DRS also has been applied as a joint method of various environmental magnetic investigations such as magnetic susceptibility- and isothermal remanent magnetization measurements. In our study the so-called "combined reflectance stratigraphy method" were developed. At First, complex mathematical method was applied to compare the results of the spectral reflectance measurements. One of the most preferred multivariate methods is cluster analysis. Its scope is to group and compare the loess variations and paleosol based on the similarity and common properties of their reflectance curves. In the Second, beside the basic subdivision of the profiles by the different reflectance curves of the layers, the most characteristic wavelength section of the reflectance curve was determined. This sections played the most important role during the classification of the different materials of the section. The reflectance value of individual samples, belonged to the characteristic wavelength were depicted in the function of depth and well correlated with other proxies like grain size distribution and magnetic susceptibility data. The results of the correlation showed the significance of

  3. Discrimination of periodontal diseases using diffuse reflectance spectral intensity ratios

    Science.gov (United States)

    Chandra Sekhar, Prasanth; Betsy, Joseph; Presanthila, Janam; Subhash, Narayanan

    2012-02-01

    This clinical study was to demonstrate the applicability of diffuse reflectance (DR) intensity ratio R620/R575 in the quantification and discrimination of periodontitis and gingivitis from healthy gingiva. DR spectral measurements were carried out with white-light illumination from 70 healthy sites in 30 healthy volunteers, and 63 gingivitis- and 58 periodontitis-infected sites in 60 patients. Clinical parameters such as probing pocket depth, clinical attachment level, and gingival index were recorded in patient population. Diagnostic accuracies for discrimination of gingivitis and periodontitis from healthy gingiva were determined by comparison of spectral signatures with clinical parameters. Divergence of average DR spectral intensity ratio between control and test groups was studied using analysis of variance. The mean DR spectrum on normalization at 620 nm showed marked differences between healthy tissue, gingivitis, and periodontitis. Hemoglobin concentration and apparent SO2 (oxygen saturation) were also calculated for healthy, gingivitis, and periodontitis sites. DR spectral intensities at 545 and 575 nm showed a decreasing trend with progression of disease. Among the various DR intensity ratios studied, the R620/R575 ratio provided a sensitivity of 90% and specificity of 94% for discrimination of healthy tissues from gingivitis and a sensitivity of 91% and specificity of 100% for discrimination of gingivitis from periodontitis.

  4. Evaluation of emulsion stability by diffuse reflectance spectroscopy.

    Science.gov (United States)

    Akers, M J; Lach, J L

    1976-02-01

    A new method is described for evaluating the stability of emulsion bases and active components contained within such emulsions. Diffuse reflectance spectroscopy (DRS) is a technique that has the capability of detecting changes in particle size, surface properties, or drug quality of emulsions as a function of time without disturbance of the system. Such physical or chemical changes are monitored by changes in the visible and UV wavelength spectral characteristics of the emulsified systems. Four basic emulsion systems were prepared and analyzed for physical stability for 6 months by three techniques: visible coalescence, particle counting measurement, and DRS. Two drugs, aspirin and ascorbic acid, were then incorporated within stable emulsion bases, and the chemical stability of these drugs was monitored by DRS for 6 months. Results were compared with concomitant quantitative drug assay procedures. Good agreement was observed when data from DRS and analytical measurements were compared. The DRS technique may be used as a supportive method, offering simplicity and expedience, with other methods of evaluating emulsion stability and drug stability within emulsified systems.

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

    Science.gov (United States)

    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 H2O2 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.

  6. 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.

  7. Determination of human skin optical properties in vivo from reflectance spectroscopic measurements

    Institute of Scientific and Technical Information of China (English)

    Hongqin Yang; Shusen Xie; Hui Li; Zukang Lu

    2007-01-01

    A novel approach has been proved to quickly and non-invasively determine the optical properties of human skin in vivo. It is based on the diffuse reflectance approximation model and subjected to the well established library of absorption spectra of water and hemoglobin. Under the nonlinear least-square algorithm, fitting the measured spectra in the range of 400-1000 nm to the diffusion approximation model, the reduced scattering coefficient and absorption coefficient of skin tissue can be quickly determined in vivo. The results show that this method is convenient and suitable for the real-time clinical application.

  8. Spectroscopic analysis of Al and N diffusion in HfO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Lysaght, P. S.; Price, J.; Kirsch, P. D. [SEMATECH, 257 Fuller Rd, Albany, New York 12203 (United States); Woicik, J. C.; Weiland, C. [National Institute of Standards and Technology, Gaithersburg, Maryland 20899 (United States); Sahiner, M. A. [Seton Hall University, 400 South Orange Ave, South Orange, New Jersey 07079 (United States)

    2012-09-15

    X-ray photoelectron core level spectroscopy, secondary ion mass spectroscopy, spectroscopic ellipsometry, and extended x-ray absorption fine structure measurements have been employed to distinguish the effects of Al and N diffusion on the local bonding and microstructure of HfO{sub 2} and its interface with the Si substrate in (001)Si/SiO{sub x}/2 nm HfO{sub 2}/1 nm AlO{sub x} film structures. The diffusion of Al from the thin AlO{sub x} cap layer deposited on both annealed and unannealed HfO{sub 2} has been observed following anneal in N{sub 2} and NH{sub 3} ambient. Both N{sub 2} and NH{sub 3} subsequent anneals were performed to decouple incorporated nitrogen from thermal reactions alone. Causal variations in the HfO{sub 2} microstructure combined with the dependence of Al and N diffusion on initial HfO{sub 2} conditions are presented with respect to anneal temperature and ambient.

  9. Remote Sensing of Grass Response to Drought Stress Using Spectroscopic Techniques and Canopy Reflectance Model Inversion

    Directory of Open Access Journals (Sweden)

    Bagher Bayat

    2016-07-01

    Full Text Available The aim of this study was to follow the response to drought stress in a Poa pratensis canopy exposed to various levels of soil moisture deficit. We tracked the changes in the canopy reflectance (450–2450 nm and retrieved vegetation properties (Leaf Area Index (LAI, leaf chlorophyll content (Cab, leaf water content (Cw, leaf dry matter content (Cdm and senescent material (Cs during a drought episode. Spectroscopic techniques and radiative transfer model (RTM inversion were employed to monitor the gradual manifestation of drought effects in a laboratory setting. Plots of 21 cm × 14.5 cm surface area with Poa pratensis plants that formed a closed canopy were divided into a well-watered control group and a group subjected to water stress for 36 days. In a regular weekly schedule, canopy reflectance and destructive measurements of LAI and Cab were taken. Spectral analysis indicated the first sign of stress after 4–5 days from the start of the experiment near the water absorption bands (at 1930 nm, 1440 nm and in the red (at 675 nm. Spectroscopic techniques revealed plant stress up to 6 days earlier than visual inspection. Of the water stress-related vegetation indices, the response of Normalized Difference Water Index (NDWI_1241 and Normalized Photochemical Reflectance Index (PRI_norm were significantly stronger in the stressed group than the control. To observe the effects of stress on grass properties during the drought episode, we used the RTMo (RTM of solar and sky radiation model inversion by means of an iterative optimization approach. The performance of the model inversion was assessed by calculating R2 and the Normalized Root Mean Square Error (RMSE between retrieved and measured LAI (R2 = 0.87, NRMSE = 0.18 and Cab (R2 = 0.74, NRMSE = 0.15. All parameters retrieved by model inversion co-varied with soil moisture deficit. However, the first strong sign of water stress on the retrieved grass properties was detected as a change of Cw

  10. [Tri-Level Infrared Spectroscopic Identification of Hot Melting Reflective Road Marking Paint].

    Science.gov (United States)

    Li, Hao; Ma, Fang; Sun, Su-qin

    2015-12-01

    In order to detect the road marking paint from the trace evidence in traffic accident scene, and to differentiate their brands, we use Tri-level infrared spectroscopic identification, which employs the Fourier transform infrared spectroscopy (FTIR), the second derivative infrared spectroscopy(SD-IR), two-dimensional correlation infrared spectroscopy(2D-IR) to identify three different domestic brands of hot melting reflective road marking paints and their raw materials in formula we Selected. The experimental results show that three labels coatings in ATR and FTIR spectrograms are very similar in shape, only have different absorption peak wave numbers, they have wide and strong absorption peaks near 1435 cm⁻¹, and strong absorption peak near 879, 2955, 2919, 2870 cm⁻¹. After enlarging the partial areas of spectrograms and comparing them with each kind of raw material of formula spectrograms, we can distinguish them. In the region 700-970 and 1370-1 660 cm⁻¹ the spectrograms mainly reflect the different relative content of heavy calcium carbonate of three brands of the paints, and that of polyethylene wax (PE wax), ethylene vinyl acetate resin (EVA), dioctyl phthalate (DOP) in the region 2800-2960 cm⁻¹. The SD-IR not only verify the result of the FTIR analysis, but also further expand the microcosmic differences and reflect the different relative content of quartz sand in the 512-799 cm-1 region. Within the scope of the 1351 to 1525 cm⁻¹, 2D-IR have more significant differences in positions and numbers of automatically peaks. Therefore, the Tri-level infrared spectroscopic identification is a fast and effective method to distinguish the hot melting road marking paints with a gradually improvement in apparent resolution.

  11. In vivo detection of epileptic brain tissue using static fluorescence and diffuse reflectance spectroscopy.

    Science.gov (United States)

    Yadav, Nitin; Bhatia, Sanjiv; Ragheb, John; Mehta, Rupal; Jayakar, Prasanna; Yong, William; Lin, Wei-Chiang

    2013-02-01

    Diffuse reflectance and fluorescence spectroscopy are used to detect histopathological abnormalities of an epileptic brain in a human subject study. Static diffuse reflectance and fluorescence spectra are acquired from normal and epileptic brain areas, defined by electrocorticography (ECoG), from pediatric patients undergoing epilepsy surgery. Biopsy specimens are taken from the investigated sites within an abnormal brain. Spectral analysis reveals significant differences in diffuse reflectance spectra and the ratio of fluorescence and diffuse reflectance spectra from normal and epileptic brain areas defined by ECoG and histology. Using these spectral differences, tissue classification models with accuracy above 80% are developed based on linear discriminant analysis. The differences between the diffuse reflectance spectra from the normal and epileptic brain areas observed in this study are attributed to alterations in the static hemodynamic characteristics of an epileptic brain, suggesting a unique association between the histopathological and the hemodynamic abnormalities in an epileptic brain.

  12. Correspondence Between Continuous and Discrete 2 Flux Models for Reflectance and Transmittance of Diffusing Layers

    OpenAIRE

    Hébert, M.; Becker, J.-M.

    2008-01-01

    This paper provides a theoretical connection between two different mathematical models dedicated to the reflectance and the transmittance of diffusing layers. The Kubelka–Munk model proposes a continuous description of scattering and absorption for two opposite diffuse fluxes in a homogeneous layer (continuous two-flux model). On the other hand, Kubelka's layering model describes the multiple reflections and transmissions of light taking place between various superposed diffusing layers (disc...

  13. Recent Developments in Solid-Phase Extraction for Near and Attenuated Total Reflection Infrared Spectroscopic Analysis

    Directory of Open Access Journals (Sweden)

    Christian W. Huck

    2016-05-01

    Full Text Available A review with more than 100 references on the principles and recent developments in the solid-phase extraction (SPE prior and for in situ near and attenuated total reflection (ATR infrared spectroscopic analysis is presented. New materials, chromatographic modalities, experimental setups and configurations are described. Their advantages for fast sample preparation for distinct classes of compounds containing different functional groups in order to enhance selectivity and sensitivity are discussed and compared. This is the first review highlighting both the fundamentals of SPE, near and ATR spectroscopy with a view to real sample applicability and routine analysis. Most of real sample analyses examples are found in environmental research, followed by food- and bioanalysis. In this contribution a comprehensive overview of the most potent SPE-NIR and SPE-ATR approaches is summarized and provided.

  14. Diffuse reflectance spectra measured in vivo in human tissues during Photofrin-mediated pleural photodynamic therapy: updated results

    Science.gov (United States)

    Finlay, Jarod C.; Zhu, Timothy C.; Dimofte, Andreea; Friedberg, Joseph S.; Cengel, Keith A.; Hahn, Stephen M.

    2009-02-01

    We present the results of a series of spectroscopic measurements made in vivo in patients undergoing photodynamic therapy (PDT). The patients studied here were enrolled in Phase II clinical trials of Photofrin-mediated PDT for the treatment of non-small cell lung cancer and cancers with pleural effusion. Patients were given Photofrin at dose of 2 mg per kg body weight 24 hours prior to treatment. Each patient received surgical debulking of the tumor followed by intracavity PDT at 630nm to a dose of 60 J/cm2. Dose was monitored continuously using implanted isotropic fiber-based light detectors. We measured the diffuse reflectance spectra before and after PDT in various positions within the cavity, including tumor, diaphragm, pericardium, skin, and chest wall muscle in 10 patients. The measurements were acquired using a specially designed fiber optic-based probe consisting of one fluorescence excitation fiber, one white light delivery fiber, and 9 detection fibers spaced at distances from 0.36 to 7.8 mm from the source, all of which are imaged via a spectrograph onto a CCD, allowing measurement of radially-resolved diffuse reflectance and fluorescence spectra. The absorption spectra were analyzed using an analytical model of light propagation in diffuse media based on the P3 approximation to radiative transport, assuming a known basis set of absorbers including hemoglobin in its oxygenated and deoxygenated forms and Photofrin. We find significant variation in hemodynamics and sensitizer concentration among patients and within tissues in a single patient.

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

    Science.gov (United States)

    Chang, Vivide Tuan-Chyan

    Among women worldwide, cervical cancer is the third most common cancer with an incidence rate of 15.3 per 100,000 and a mortality rate of 7.8 per 100,000 women. This is largely attributed to the lack of infrastructure and resources in the developing countries to support the organized screening and diagnostic programs that are available to women in developed nations. Hence, there is a critical global need for a screening and diagnostic paradigm that is effective in low-resource settings. Various strategies are described to design an optical spectroscopic sensor capable of collecting reliable diffuse reflectance data to extract quantitative optical contrasts for cervical cancer screening and diagnosis. A scalable Monte Carlo based optical toolbox can be used to extract absorption and scattering contrasts from diffuse reflectance acquired in the cervix in vivo. [Total Hb] was shown to increase significantly in high-grade cervical intraepithelial neoplasia (CIN 2+), clinically the most important tissue grade to identify, compared to normal and low-grade intraepithelial neoplasia (CIN 1). Scattering was not significantly decreased in CIN 2+ versus normal and CIN 1, but was significantly decreased in CIN relative to normal cervical tissues. Immunohistochemistry via anti-CD34, which stains the endothelial cells that line blood vessels, was used to validate the observed absorption contrast. The concomitant increase in microvessel density and [total Hb] suggests that both are reactive to angiogenic forces from up-regulated expression of VEGF in CIN 2+. Masson's trichrome stain was used to assess collagen density changes associated with dysplastic transformation of the cervix, hypothesized as the dominant source of decreased scattering observed. Due to mismatch in optical and histological sampling, as well as the small sample size, collagen density and scattering did not change in a similar fashion with tissue grade. Dysplasia may also induce changes in cross-linking of

  16. 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

  17. Effects of Nanoparticle Size and Morphology on IR Diffuse Reflection Spectra

    Institute of Scientific and Technical Information of China (English)

    KONG Xiao-dong; ZHU Mei-wu; ZHENG Jia-sheng

    2003-01-01

    Two kinds of nanopowders were studied. One is NiFe2O4 spherical nanopowders which have different particle sizes. Another is ZnO nanopowders including two series of spherical particles and tetrapod nanowhiskers. Through measuring the infrared diffuse reflection spectra of nanopowders, it can be found that the particle size and morphology affect the infrared diffuse reflection spectra. For the NiFe2O4 nanopowders the smaller the particle size, the larger the K-M value. And when the particle size is large enough , the effect of the particle size on infrared diffuse reflection spectra would disappear. For the ZnO nanopowders the effects of the particle size and morphology are more special. The effect of the particle sizes of tetrapod whisker nanopowders on infrared diffuse reflection spectra is more than that of spherical nanopowders.

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

    NARCIS (Netherlands)

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

  19. Decomposition of Diffuse Reflectance Images - Features for Monitoring Structure in Turbid Media

    DEFF Research Database (Denmark)

    Skytte, Jacob Lercke; Nielsen, Otto Højager Attermann; Andersen, Ulf;

    2013-01-01

    we investigate different decomposition methods for extracting light scattering information from images of diffuse reflectance. Both well-established theoretical methods and data driven methods are considered and evaluated based on their robustness and sensitivity to changes in light scattering...

  20. Differential diagnosis of breast masses in South Korean premenopausal women using diffuse optical spectroscopic imaging

    Science.gov (United States)

    Leproux, Anaïs; Kim, You Me; Min, Jun Won; McLaren, Christine E.; Chen, Wen-Pin; O'Sullivan, Thomas D.; Lee, Seung-ha; Chung, Phil-Sang; Tromberg, Bruce J.

    2016-07-01

    Young patients with dense breasts have a relatively low-positive biopsy rate for breast cancer (˜1 in 7). South Korean women have higher breast density than Westerners. We investigated the benefit of using a functional and metabolic imaging technique, diffuse optical spectroscopic imaging (DOSI), to help the standard of care imaging tools to distinguish benign from malignant lesions in premenopausal Korean women. DOSI uses near-infrared light to measure breast tissue composition by quantifying tissue concentrations of water (ctH2O), bulk lipid (ctLipid), deoxygenated (ctHHb), and oxygenated (ctHbO2) hemoglobin. DOSI spectral signatures specific to abnormal tissue and absent in healthy tissue were also used to form a malignancy index. This study included 19 premenopausal subjects (average age 41±9), corresponding to 11 benign and 10 malignant lesions. Elevated lesion to normal ratio of ctH2O, ctHHb, ctHbO2, total hemoglobin (THb=ctHHb+ctHbO2), and tissue optical index (ctHHb×ctH2O/ctLipid) were observed in the malignant lesions compared to the benign lesions (p90% sensitivity and specificity. Malignant lesions showed significantly higher metabolism and perfusion than benign lesions. DOSI spectral features showed high discriminatory power for distinguishing malignant and benign lesions in dense breasts of the Korean population.

  1. Determination of Optical Properties of Turbid Media from Spatially Resolved Diffuse Reflectance by Neural Network

    Institute of Scientific and Technical Information of China (English)

    REN Hongwu; FANG Zujie

    2000-01-01

    A backpropagation (BP) network is applied to the inversion of spatially resolved diffuse reflectance from turbid media and then to determine its optical properties. A standard BP network may be trapped to the local minimum. A BP network with variable momentum and variable leaning rate can reduce this effect. After being trained, this network will produce reduced scattering coefficients and absorption coefficients when the spatially resolved diffuse reflectance are fed to its input.

  2. Influence of Boundary Condition and Diffusion Coefficient on the Accuracy of Diffusion Theory in Steady-State Spatially Resolved Diffuse Reflectance of Biological Tissues

    Institute of Scientific and Technical Information of China (English)

    张连顺; 张春平; 王新宇; 祁胜文; 许棠; 田建国; 张光寅

    2002-01-01

    The applicability of diffusion theory for the determination of tissue optical properties from steady-state diffuse reflectance is investigated. Analytical expressions from diffusion theory using the two most commonly assumed boundary conditions at the air-tissue interface and the two definitions of the diffusion coefficient are compared with Monte Carlo simulations. The effects of the choice of the boundary conditions and diffusion coefficients on the accuracy of the findings for the optical parameters are quantified, and criteria for accurate curve-fitting algorithms are developed. It is shown that the error in deriving the optical coefficients is considerably smaller for the solution which uses the extrapolated boundary condition and the diffusion coefficient independence of absorption coefficient, compared to the other three solutions.

  3. Wrinkles enhance the diffuse reflection from the dragonfly Rhyothemis resplendens.

    Science.gov (United States)

    Nixon, M R; Orr, A G; Vukusic, P

    2015-02-06

    The dorsal surfaces of the hindwings of the dragonfly Rhyothemis resplendens (Odonata: Libellulidae) reflect a deep blue from the multilayer structure in its wing membrane. The layers within this structure are not flat, but distinctly 'wrinkled', with a thickness of several hundred nanometres and interwrinkle crest distances of 5 µm and greater. A comparison between the backscattered light from R. resplendens and a similar, but un-'wrinkled' multilayer in the damselfly Matronoides cyaneipennis (Odonata: Calopterygidae) shows that the angle over which incident light is backscattered is increased by the wrinkling in the R. resplendens structure. Whereas the reflection from the flat multilayer of M. cyaneipennis is effectively specular, the reflection from the wrinkled R. resplendens multilayer spans 1.47 steradians (equivalent to ±40° for all azimuthal angles). This property enhances the visibility of the static wing over a broader angle range than is normally associated with a smooth multilayer, thereby markedly increasing its conspicuousness.

  4. Electronic diffuse reflectance spectra of Bi-V-Sb-Al catalysts for oxidative ammonolysis

    Energy Technology Data Exchange (ETDEWEB)

    Rizaev, R.G.; Akhverdiev, R.B.; Alieva, T.C.; Efendiev, M.R.; Krylov, O.V.; Magerranova, Z.Y.

    1986-10-01

    Diffuse reflectance spectra of monocomponent, binary, and tricomponent Bi-VSb-Al catalysts for the oxidative ammonolysis of aromatic compounds were taken in the 200- to 850-nm region and interpreted. It was established that vanadium ions in two valence states, V/sup 4 +/ and V/sup 5 +/, exist on the surface of ..gamma..-Al/sub 2/O/sub 3/. On treatment of V-Sb-Al with a reaction mixture of C/sub 7/H/sub 6/Cl/sub 2/ + O/sub 2/ + NH/sub 3/, V/sup 5 +/ ions are reduced to V/sup 4 +/ and Sb/sup 3 +/ ions are oxidized to Sb/sup 5 +/. This is also characteristic of the V-Al and Sb-Al oxide systems. In the case of V-Bi-Al, treatment with the reaction mixture does not lead to the reduction of V/sup 5 +/ ions. After treatment of Sb-Bi-Al with the reaction mixture, the presence of three phases, Sb/sub 2/O/sub 3/, Sb/sub 2/O/sub 5/, and Bi/sub 2/O/sub 3/ was detected spectroscopically. After treatment of the Bi-V-Sb-Al with the reaction mixture, the formation of a chemical compound of the bismuth vanadate type in which the V/sup 5 +/ ions are tightly held and resistant to oxidation was observed. The phases Sb/sub 2/O/sub 3/ and Sb/sub 2/O/sub 5/ were also found.

  5. Atrial lesion transmurality assessment using multi-fiber diffuse reflectance (Conference Presentation)

    Science.gov (United States)

    Singh-Moon, Rajinder P.; Hendon, Christine P.

    2017-02-01

    In non-pharmacological treatment of cardiac arrhythmias such as catheter ablation therapy, long-term treatment effectiveness is related in part to the quality of lesion generation. Superficial lesions may lead to arrhythmia recurrence by allowing recovery along conduction channels for arrhythmic impulses to propagate; conversely transmural lesions inhibit conduction. Conventional techniques rely on measurement of surrogate parameters such as change in bioelectrical impedance, or electrogram amplitude dampening as a qualitative assessment for lesion size. In previous work, we've demonstrated a relationship between lesion dimensions and spectroscopic parameters extracted using an optically-integrated ablation catheter. Though these metrics present some trend, a method to directly assess lesion transmurality maybe better suited. In this work, we report a method for direct recovery of lesion depth in cardiac tissue using diffusely reflected optical measurements and present initial in silico validation. Photon transport throughout a heterogeneous volume was simulated for a series of source-detector pairs and optical properties using a GPU-based Monte Carlo (MC) code. Results were used to generate a multi-dimensional look-up table for each collection geometry for partial to transmural lesions. A genetic algorithm-based two-step inversion method was employed to extract lesion transmurality. MC simulated optical measurements for various lesion sizes were generated using optical properties for ablated and normal cardiac tissue found in literature and were fitted using our algorithm. Recovered lesion depths ranged between 2-10% for lesions less than 3mm and were within 20% for lesions greater than 4mm. These results support the application of this technique for lesion validation for atrial tissue.

  6. Optical detection of breast tumors: a comparison of diagnostic performance of autofluorescence, diffuse reflectance, and Raman spectroscopy

    Science.gov (United States)

    Majumder, Shovan K.; Keller, Matthew D.; Mahadevan-Jansen, Anita

    2007-02-01

    We report the results of a comparative evaluation of the diagnostic capabilities of autofluorescence, diffuse reflectance, and Raman spectroscopic approaches in differentiating the various types of breast tumors from normal breast tissues. Optical spectra (n=293) were acquired ex-vivo from a total of 75 breast tissue samples belonging to six distinct histopathologic categories: invasive ductal carcinoma, lobular carcinoma, ductal carcinoma in-situ, fibroadenoma, other benign tumors, and normal breast tissue. Autofluorescence, diffuse reflectance, and Raman spectra were measured from the same locations of a given tissue sample. A probability based multivariate statistical algorithm capable of direct multiclass classification was developed to analyze the diagnostic content of the optical spectra measured from the same set of breast tissue sites with these different techniques. The algorithm uses the theory of nonlinear Maximum Representation and Discrimination Feature (MRDF) for feature extraction, and the theory of Sparse Multinomial Logistic Regression (SMLR) for classification. The results of discrimination analyses reveal that the performance of Raman spectroscopy is superior to that of all others in classifying the breast tissues into respective histopathologic categories. The best classification accuracy was observed to be ~96%, 86%, 94%, 98%, 85%, and 100% for invasive ductal carcinoma, lobular carcinoma, ductal carcinoma in-situ, fibroadenoma, benign tumors and normal breast tissues, respectively, on the basis of leave-one-out cross validation, with the overall accuracy being ~97%.

  7. Photometric and spectroscopic study of low mass embedded star clusters in reflection nebulae

    Science.gov (United States)

    Soares, J. B.; Bica, E.; Ahumada, A. V.; Clariá, J. J.

    2005-02-01

    An analysis of the candidate embedded stellar systems in the reflection nebulae vdBH-RN 26, vdBH-RN} 38, vdBH-RN} 53a, GGD 20, ESO 95-RN 18 and NGC 6595 is presented. Optical spectroscopic data from CASLEO (Argentina) in conjunction with near infrared photometry from the 2MASS Point Source Catalogue were employed. The analysis is based on source surface density, colour-colour and colour-magnitude diagrams together with theoretical pre-main sequence isochrones. We take into account the field population affecting the analysis by carrying out a statistical subtraction. The fundamental parameters for the stellar systems were derived. The resulting ages are in the range 1-4 Myr and the objects are dominated by pre-main sequence stars. The observed masses locked in the clusters are less than 25 M⊙. The studied systems have no stars of spectral types earlier than B, indicating that star clusters do not necessarily evolve through an HII region phase. The relatively small locked mass combined with the fact that they are not numerous in catalogues suggests that these low mass clusters are not important donors of stars to the field populations. Based on observations made at Complejo Astronómico El Leoncito, which is operated under agreement between the Consejo Nacional de Investigaciones Científicas y Técnicas de la República Argentina and the National Universities of La Plata, Córdoba and San Juan, Argentina.

  8. An assessment of Saunderson corrections to the diffuse reflectance of paint films

    Energy Technology Data Exchange (ETDEWEB)

    Garcia-Valenzuela, A [Centro de Ciencias Aplicadas y Desarrollo Tecnologico, Universidad Nacional Autonoma de Mexico, Apartado Postal 70-186, 04510 Mexico Distrito Federal (Mexico); Cuppo, F L S; Olivares, J A, E-mail: augusto.garcia@ccadet.unam.mx [Centro de Investigacion en PolImeros, COMEX, Marcos Achar Lobaton 2, 55885 Tepexpan (Mexico)

    2011-01-01

    We revise basic concepts behind the surface correction terms to the diffuse reflectance of a paint coating and its measurement with an integrating sphere. We question the validity of using the Fresnel relationships to calculate the surface reflectance terms in the case of paint films. Results of measurements on a white paint covered with an index-matched transparent slab are presented. From these results we infer the internal diffuse reflectance of the surface and obtain noticeable discrepancies from the prediction of Fresnel relationships.

  9. An assessment of Saunderson corrections to the diffuse reflectance of paint films

    Science.gov (United States)

    García-Valenzuela, A.; Cuppo, F. L. S.; Olivares, J. A.

    2011-01-01

    We revise basic concepts behind the surface correction terms to the diffuse reflectance of a paint coating and its measurement with an integrating sphere. We question the validity of using the Fresnel relationships to calculate the surface reflectance terms in the case of paint films. Results of measurements on a white paint covered with an index-matched transparent slab are presented. From these results we infer the internal diffuse reflectance of the surface and obtain noticeable discrepancies from the prediction of Fresnel relationships.

  10. Influence of Complex Refractive Index on Diffuse Reflection of Biological Tissues

    Institute of Scientific and Technical Information of China (English)

    LAI Jian-Cheng; LI Zhen-Hua; HE An-Zhi

    2005-01-01

    @@ Complex refractive indices are introduced to solve various boundary questions at the interfaces when modelling light migration within heterogeneous tissues. Combined with the complex refractive index, Fresnel's formulae are used to describe the reflection and transmission at the interfaces between two heterogeneous tissues layers.Using the Monte Carlo method, the influence of the complex refractive index on diffuse reflection of semi-infinite biological tissues is discussed. The results show that neglecting the imaginary part of the refractive index of tissues will bring a major deviation in the diffuse reflection of semi-infinite biological tissues when its emitting point is apart from the incident point.

  11. Ultra-broadband and planar sound diffuser with high uniformity of reflected intensity

    Science.gov (United States)

    Fan, Xu-Dong; Zhu, Yi-Fan; Liang, Bin; Yang, Jing; Yang, Jun; Cheng, Jian-Chun

    2017-09-01

    Schroeder diffusers, as a classical design of acoustic diffusers proposed over 40 years ago, play key roles in many practical scenarios ranging from architectural acoustics to noise control to particle manipulation. Despite the great success of conventional acoustic diffusers, it is still worth pursuing ideal acoustic diffusers that are essentially expected to produce perfect sound diffuse reflection within the unlimited bandwidth. Here, we propose a different mechanism for designing acoustic diffusers to overcome the basic limits in intensity uniformity and working bandwidth in the previous designs and demonstrate a practical implementation by acoustic metamaterials with dispersionless phase-steering capability. In stark contrast to the existing production of diffuse fields relying on random scattering of sound energy by using a specific mathematical number sequence of periodically distributed unit cells, we directly mold the reflected wavefront into the desired shape by precisely manipulating the local phases of individual subwavelength metastructures. We also benchmark our design via numerical simulation with a commercially available Schroeder diffuser, and the results verify that our proposed diffuser scatters incident acoustic energy into all directions more uniformly within an ultra-broad band regardless of the incident angle. Furthermore, our design enables further improvement of the working bandwidth just by simply downscaling each individual element. With ultra-broadband functionality and high uniformity of reflected intensity, our metamaterial-based production of the diffusive field opens a route to the design and application of acoustic diffusers and may have a significant impact on various fields such as architectural acoustics and medical ultrasound imaging/treatment.

  12. Optical device for thermal diffusivity determination in liquids by reflection of a thermal wave

    Science.gov (United States)

    Sánchez-Pérez, C.; De León-Hernández, A.; García-Cadena, C.

    2017-08-01

    In this work, we present a device for determination of the thermal diffusivity using the oblique reflection of a thermal wave within a solid slab that is in contact with the medium to be characterized. By using the reflection near a critical angle under the assumption that thermal waves obey Snell's law of refraction with the square root of the thermal diffusivities, the unknown thermal diffusivity is obtained by simple formulae. Experimentally, the sensor response is measured using the photothermal beam deflection technique within a slab that results in a compact device with no contact of the laser probing beam with the sample. We describe the theoretical basis and provide experimental results to validate the proposed method. We determine the thermal diffusivity of tridistilled water and glycerin solutions with an error of less than 0.5%.

  13. Optical device for thermal diffusivity determination in liquids by reflection of a thermal wave.

    Science.gov (United States)

    Sánchez-Pérez, C; De León-Hernández, A; García-Cadena, C

    2017-08-01

    In this work, we present a device for determination of the thermal diffusivity using the oblique reflection of a thermal wave within a solid slab that is in contact with the medium to be characterized. By using the reflection near a critical angle under the assumption that thermal waves obey Snell's law of refraction with the square root of the thermal diffusivities, the unknown thermal diffusivity is obtained by simple formulae. Experimentally, the sensor response is measured using the photothermal beam deflection technique within a slab that results in a compact device with no contact of the laser probing beam with the sample. We describe the theoretical basis and provide experimental results to validate the proposed method. We determine the thermal diffusivity of tridistilled water and glycerin solutions with an error of less than 0.5%.

  14. Diffuse reflectance optical topography: location of inclusions in 3D and detectability limits

    OpenAIRE

    Carbone, Nicolás Abel; Baez, Guido Rodrigo; García, Héctor Alfredo; Waks Serra, María Victoria; Di Rocco, Hector Omar; Iriarte, Daniela Ines; Pomarico, Juan Antonio; Grosenick, D.; MacDonald, R.

    2014-01-01

    In the present contribution we investigate the images of CW diffusely reflected light for a point-like source, registered by a CCD camera imaging a turbid medium containing an absorbing lesion. We show that detection of μa variations (absorption anomalies) is achieved if images are normalized to background intensity. A theoretical analysis based on the diffusion approximation is presented to investigate the sensitivity and the limitations of our proposal and a novel procedure to find the loca...

  15. Temperature-induced transition of the diffusion mechanism of n-hexane in ultra-thin polystyrene films, resolved by in-situ Spectroscopic Ellipsometry

    NARCIS (Netherlands)

    Ogieglo, W.; Wormeester, H.; Wessling, M.; Benes, N.E.

    2013-01-01

    In-situ Spectroscopic Ellipsometry is used to study diffusion of liquid n-hexane in silicon wafer supported 150 nm thick polystyrene films, in the temperature range 16e28 C. In the higher part of this temperature range Case II diffusion is shown to be dominant. In this case the temporal evolution o

  16. Evaluation of TiAl and 40Cr diffusion bonding quality using ultrasonic reflection spectrum

    Institute of Scientific and Technical Information of China (English)

    Luan Yilin; Gang Tie

    2007-01-01

    Combined with ultrasonic pulse-echo technique, reflection spectrum analysis was introduced to evaluate TiAl and 40Cr diffusion bonding quality. Frequency dependence of reflection coefficient was used to distinguish perfect bonding from imperfect bonding. It is found that the reflection coefficient from perfect bonding interface does not vary with frequency. When the size of imperfections is much smaller than the wavelength of ultrasound, the reflection coefficient depends on frequency. When the size of imperfections is the same order of or even larger than the wavelength of ultrasound, the reflection coefficient does not exhibit frequency dependence. However the amplitude of imperfect interface is higher than the amplitude of perfect bonding interface. A combination of reflection spectrum analysis and ultrasonic pulse-echo technique provides more accurate information about the bonding quality of dissimilar materials.

  17. Determination of the Tracer Diffusion Coefficient of Soft Polystyrene Nanoparticles using Neutron Reflectivity

    Science.gov (United States)

    Imel, Adam; Miller, Brad; Holley, Wade; Baskaran, Durairaj; Mays, Jimmy; Dadmun, Mark

    2015-03-01

    The diffusion properties of nanoparticles in polymer nanocomposites are largely unknown and depend intimately on the dispersion of the nanoparticles. We examine the diffusion of soft, organic nanoparticles, which disperse in a polymer matrix due to the interpenetration of polymer chains and particles and the reduction in the depletion of entropy in the system. The impact of the presence of soft nanoparticles on the diffusion coefficient of polystyrene chains has recently been determined with neutron reflectivity. This was completed by monitoring the interdiffusion of deuterated and protonated polystyrene nanocomposite bilayers with and without the soft nanoparticles dispersed throughout both layers and extracting the diffusion coefficient from the one-dimensional solution to Fick's second law of diffusion. In this work, we extend this method to bilayer systems with only the soft nanoparticles as one of the layers and a linear deuterated polystyrene as an adjacent layer. The development of this method allows us to determine the tracer diffusion coefficient of the soft polystyrene nanoparticles for the first time by analyzing the mutual diffusion coefficient from Fick's second law and the fast and slow modes theories for diffusion.

  18. DCT-Based Characterization of Milk Products Using Diffuse Reflectance Images

    DEFF Research Database (Denmark)

    Sharifzadeh, Sara; Skytte, Jacob Lercke; Clemmensen, Line Katrine Harder;

    2013-01-01

    We propose to use the two-dimensional Discrete Cosine Transform (DCT) for decomposition of diffuse reflectance images of laser illumination on milk products in different wavelengths. Based on the prior knowledge about the characteristics of the images, the initial feature vectors are formed at ea...

  19. Optical Nerve Detection by Diffuse Reflectance Spectroscopy for Feedback Controlled Oral and Maxillofacial Laser Surgery

    Directory of Open Access Journals (Sweden)

    Douplik Alexandre

    2011-02-01

    Full Text Available Abstract Background Laser surgery lacks haptic feedback, which is accompanied by the risk of iatrogenic nerve damage. It was the aim of this study to investigate diffuse reflectance spectroscopy for tissue differentiation as the base of a feedback control system to enhance nerve preservation in oral and maxillofacial laser surgery. Methods Diffuse reflectance spectra of nerve tissue, salivary gland and bone (8640 spectra of the mid-facial region of ex vivo domestic pigs were acquired in the wavelength range of 350-650 nm. Tissue differentiation was performed using principal component (PC analysis followed by linear discriminant analysis (LDA. Specificity and sensitivity were calculated using receiver operating characteristic (ROC analysis and the area under curve (AUC. Results Five PCs were found to be adequate for tissue differentiation with diffuse reflectance spectra using LDA. Nerve tissue could be differed from bone as well as from salivary gland with AUC results of greater than 88%, sensitivity of greater than 83% and specificity in excess of 78%. Conclusions Diffuse reflectance spectroscopy is an adequate technique for nerve identification in the vicinity of bone and salivary gland. The results set the basis for a feedback system to prevent iatrogenic nerve damage when performing oral and maxillofacial laser surgery.

  20. 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.

    2015-01-01

    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 measurement

  1. Nondestructive Determination of Total Chlorophyll Content in Maize Using Three-Wavelength Diffuse Reflectance

    Science.gov (United States)

    Gu, D.-D.; Wang, W.-Z.; Hu, J.-D.; Zhang, X.-M.; Wang, J.-B.; Wang, B.-S.

    2016-09-01

    Chlorophyll in leaves plays a vital role in plant growth and can be used as an indicator of a plant's nutritional status. In this paper, an experimental setup for measuring total chlorophyll content using three-wavelength diffuse reflectance is proposed, for which light-emitting diodes with peak wavelengths of 640, 660, and 940 nm are used. Two different maize strains, Zhengdan-958 and Xundan-20, fertilized at different levels before the jointing stage, were used to validate this setup. Regression analyses between remission function values of diffuse reflectance and SPAD values, as well as remission function values of diffuse reflectance and the actual total chlorophyll content, were performed. The determination coefficients between remission function values and the actual total chlorophyll content were 0.9766 for Zhengdan-958 leaves and 0.9612 for Xundan-20 leaves. The experimental results validated the feasibility of using the diffuse reflectance spectrum to determine the total chlorophyll content. This paper also provides guidance for the development of a portable instrument to determine the actual chlorophyll content.

  2. Epithelial cancers and photon migration: Monte Carlo simulations and diffuse reflectance measurements

    Science.gov (United States)

    Tubiana, Jerome; Kass, Alex J.; Newman, Maya Y.; Levitz, David

    2015-07-01

    Detecting pre-cancer in epithelial tissues such as the cervix is a challenging task in low-resources settings. In an effort to achieve low cost cervical cancer screening and diagnostic method for use in low resource settings, mobile colposcopes that use a smartphone as their engine have been developed. Designing image analysis software suited for this task requires proper modeling of light propagation from the abnormalities inside tissues to the camera of the smartphones. Different simulation methods have been developed in the past, by solving light diffusion equations, or running Monte Carlo simulations. Several algorithms exist for the latter, including MCML and the recently developed MCX. For imaging purpose, the observable parameter of interest is the reflectance profile of a tissue under some specific pattern of illumination and optical setup. Extensions of the MCX algorithm to simulate this observable under these conditions were developed. These extensions were validated against MCML and diffusion theory for the simple case of contact measurements, and reflectance profiles under colposcopy imaging geometry were also simulated. To validate this model, the diffuse reflectance profiles of tissue phantoms were measured with a spectrometer under several illumination and optical settings for various homogeneous tissues phantoms. The measured reflectance profiles showed a non-trivial deviation across the spectrum. Measurements of an added absorber experiment on a series of phantoms showed that absorption of dye scales linearly when fit to both MCX and diffusion models. More work is needed to integrate a pupil into the experiment.

  3. Determination of Structural and Morphological Parameters of Human Bulbar Conjunctiva from Optical Diffuse Reflectance Spectra

    Science.gov (United States)

    Lisenko, S. A.; Firago, V. A.; Kugeiko, M. M.; Kubarko, A. I.

    2016-09-01

    We have developed a method for on-the-fl y retrieval of the volume concentration of blood vessels, the average diameter of the blood vessels, the blood oxygenation level, and the molar concentrations of chromophores in the bulbar conjunctiva from its diffuse reflectance spectra, measured when the radiation delivery and detection channels are spatially separated. The relationship between the diffuse reflectance spectrum of the conjunctiva and its unknown parameters is described in terms of an analytical model, constructed on the basis of a highly accurate approximation analog of the Monte Carlo method. We have studied the effect of localization of hemoglobin in erythrocytes and localization of erythrocytes in the blood vessels on the power of the retrieval of structural and morphological parameters for the conjunctiva. We developed a device for obtaining video images of the conjunctiva and contactless measurements of its diffuse reflectance spectrum. By comparing simulated diffuse reflectance spectra of the conjunctiva with the experimental measurements, we established a set of chromophores which must be taken into account in the model for reproducing the experimental data within the measurement error. We observed absorption bands for neuroglobin in the experimental spectra, and provided a theoretical basis for the possibility of determining its absolute concentrations in the conjunctiva. We have shown that our method can detect low bilirubin concentrations in blood.

  4. Recent progress in diffuse reflectance spectroscopy of supported metal oxide catalysts

    NARCIS (Netherlands)

    Weckhuysen, B.M.; Schoonheydt, R.A.

    1999-01-01

    Diffuse reflectance spectroscopy is a suitable technique for studying heterogeneous catalysts, as both d-d and charge transfer transitions of supported transition metal ions can be probed. Within the past several years, new developments have resulted in a more detailed understanding of the surface c

  5. Early detection of chemotherapy-refractory patients by monitoring textural alterations in diffuse optical spectroscopic images

    Energy Technology Data Exchange (ETDEWEB)

    Sadeghi-Naini, Ali; Falou, Omar; Czarnota, Gregory J., E-mail: Gregory.Czarnota@sunnybrook.ca [Physical Sciences, Sunnybrook Research Institute, Sunnybrook Health Sciences Centre, Toronto, Ontario M4N 3M5 (Canada); Department of Medical Biophysics, University of Toronto, Toronto, Ontario M4N 3M5 (Canada); Department of Radiation Oncology, Odette Cancer Centre, Sunnybrook Health Sciences Centre, Toronto, Ontario M4N 3M5 (Canada); Department of Radiation Oncology, University of Toronto, Toronto, Ontario M4N 3M5 (Canada); Vorauer, Eric [Department of Medical Physics, Odette Cancer Centre, Sunnybrook Health Sciences Centre, Toronto, Ontario M4N 3M5 (Canada); Department of Physics, Ryerson University, Toronto, Ontario M5B 2K3 (Canada); Chin, Lee [Department of Radiation Oncology, University of Toronto, Toronto, Ontario M4N 3M5 (Canada); Department of Medical Physics, Odette Cancer Centre, Sunnybrook Health Sciences Centre, Toronto, Ontario M4N 3M5 (Canada); Department of Physics, Ryerson University, Toronto, Ontario M5B 2K3 (Canada); Tran, William T. [Department of Radiation Oncology, Odette Cancer Centre, Sunnybrook Health Sciences Centre, Toronto, Ontario M4N 3M5 (Canada); Wright, Frances C. [Division of General Surgery, Sunnybrook Health Sciences Centre, Toronto, Ontario M4N 3M5 (Canada); Department of Surgery, University of Toronto, Toronto, Ontario M4N 3M5 (Canada); Gandhi, Sonal [Division of Medical Oncology, Sunnybrook Health Sciences Centre, and Faculty of Medicine, University of Toronto, Toronto, Ontario M4N 3M5 (Canada); Yaffe, Martin J. [Physical Sciences, Sunnybrook Research Institute, Sunnybrook Health Sciences Centre, Toronto, Ontario M4N 3M5 (Canada); Department of Medical Biophysics, University of Toronto, Toronto, Ontario M4N 3M5 (Canada)

    2015-11-15

    Purpose: Changes in textural characteristics of diffuse optical spectroscopic (DOS) functional images, accompanied by alterations in their mean values, are demonstrated here for the first time as early surrogates of ultimate treatment response in locally advanced breast cancer (LABC) patients receiving neoadjuvant chemotherapy (NAC). NAC, as a standard component of treatment for LABC patient, induces measurable heterogeneous changes in tumor metabolism which were evaluated using DOS-based metabolic maps. This study characterizes such inhomogeneous nature of response development, by determining alterations in textural properties of DOS images apparent at early stages of therapy, followed later by gross changes in mean values of these functional metabolic maps. Methods: Twelve LABC patients undergoing NAC were scanned before and at four times after treatment initiation, and tomographic DOS images were reconstructed at each time. Ultimate responses of patients were determined clinically and pathologically, based on a reduction in tumor size and assessment of residual tumor cellularity. The mean-value parameters and textural features were extracted from volumetric DOS images for several functional and metabolic parameters prior to the treatment initiation. Changes in these DOS-based biomarkers were also monitored over the course of treatment. The measured biomarkers were applied to differentiate patient responses noninvasively and compared to clinical and pathologic responses. Results: Responding and nonresponding patients demonstrated different changes in DOS-based textural and mean-value parameters during chemotherapy. Whereas none of the biomarkers measured prior the start of therapy demonstrated a significant difference between the two patient populations, statistically significant differences were observed at week one after treatment initiation using the relative change in contrast/homogeneity of seven functional maps (0.001 < p < 0.049), and mean value of water

  6. Diffuse and bi-directional reflectance spectrometry to study European volcanic soils

    Directory of Open Access Journals (Sweden)

    Roberto Salzano

    2008-01-01

    Full Text Available Diffuse and bi-directional reflectance spectroscopy were applied in this research in order to characterize chemical and mineralogical properties in volcanic soils. The study was conducted on 77 volcanic soil profiles from several European countries. Diffuse reflectance spectroscopy was used in conjunction with parameterization using the second derivative of the Kubelka-Munk function and colour calculation. From derivative curves, one band of interest was characterized and identified around 450 nm. Using correlation analysis, significant relationships were observed between amplitude of this band and Fed (r = 0.6. In addition, the data showed that soil organic matter content, Ald and Fep were moderately correlated with reflectance values centered at 546, 579 and 2048 nm.

  7. Physiological basis for noninvasive skin cancer diagnosis using diffuse reflectance spectroscopy

    Science.gov (United States)

    Zhang, Yao; Markey, Mia K.; Tunnell, James W.

    2017-02-01

    Diffuse reflectance spectroscopy offers a noninvasive, fast, and low-cost alternative to visual screening and biopsy for skin cancer diagnosis. We have previously acquired reflectance spectra from 137 lesions in 76 patients and determined the capability of spectral diagnosis using principal component analysis (PCA). However, it is not well elucidated why spectral analysis enables tissue classification. To provide the physiological basis, we used the Monte Carlo look-up table (MCLUT) model to extract physiological parameters from those clinical data. The MCLUT model results in the following physiological parameters: oxygen saturation, hemoglobin concentration, melanin concentration, vessel radius, and scattering parameters. Physiological parameters show that cancerous skin tissue has lower scattering and larger vessel radii, compared to normal tissue. These results demonstrate the potential of diffuse reflectance spectroscopy for detection of early precancerous changes in tissue. In the future, a diagnostic algorithm that combines these physiological parameters could be enable non-invasive diagnosis of skin cancer.

  8. Quantitative Total and Diffuse Reflectance Laboratory Measurements for Remote, Standoff, and Point Sensing

    Energy Technology Data Exchange (ETDEWEB)

    Blake, Thomas A.; Johnson, Timothy J.; Tonkyn, Russell G.; Forland, Brenda M.; Myers, Tanya L.; Brauer, Carolyn S.; Su, Yin-Fong

    2014-06-10

    Methods for making total and diffuse directional/hemispherical reflectance measurements in the shortwave to longwave infrared using an integrating sphere are described. The sphere is a commercial, off-the-shelf optical device with its sample port at the bottom, which is essential for examining powdered samples without using a cover glass. The reflectance spectra of recently-developed National Institute of Standards and Technology (NIST, USA) infrared reflectance standards have been measured using the sphere. Reflectance spectra of other materials such as Spectralon and Infragold were also measured. The relative systematic error for the total reflectance measurements is estimated to be on the order of 3%, and random measurement error for multiple samples of each material is on the order of 0.5%.

  9. Diffuse Interstellar Band at 5850 as a Member of 5797 Spectroscopic Family

    CERN Document Server

    Bryndal, K; Bryndal, Katarzyna; Wszo{\\l}ek, Bogdan

    2006-01-01

    The carriers of diffuse interstellar bands are still mysterious species. There exist many arguments that diffuse bands at 5797 and 5850 angstroms have the same carrier. Using high-resolution spectra of few dozens of reddened stars we have searched mutual correlation between intensities of considered bands. Results of our analysis indicate that 5797 and 5850 really tend to have the same carrier.

  10. Functional fiber mats with tunable diffuse reflectance composed of electrospun VO2/PVP composite fibers.

    Science.gov (United States)

    Li, Shaotang; Li, Yamei; Qian, Kun; Ji, Shidong; Luo, Hongjie; Gao, Yanfeng; Jin, Ping

    2014-01-01

    Thermochromic VO2 nanoparticles have been dispersed into polyvinyl pyrrolidone (PVP) fibers by electrospinning of a VO2-PVP blend solution. The structure and optical properties of the obtained composite fiber mat were studied by X-ray diffraction (XRD), scanning electron microscopy (SEM), ultraviolet-visible (UV-Vis) spectrophotometry, and Fourier transform infrared (FT-IR) spectroscopy. The fiber mat revealed two diffuse reflectance states in infrared spectral region at temperatures under and above the phase transition temperature of VO2 and its IR reflectance is smaller in high temperature. The difference of diffuse reflectance between the two states (ΔRdif) was obvious to be more than 25% in the wavelengths from 1.5 μm to 6 μm. The diffuse reflectance of the fiber mat could be controlled by adjusting the diameter of the fiber or the content of VO2 in the fibers and this particular optical property was explained by a multiple scattering-absorbing process.

  11. Artificial neural networks based estimation of optical parameters by diffuse reflectance imaging under in vitro conditions

    Directory of Open Access Journals (Sweden)

    Mahmut Ozan Gökkan

    2017-01-01

    Full Text Available Optical parameters (properties of tissue-mimicking phantoms are determined through noninvasive optical imaging. Objective of this study is to decompose obtained diffuse reflectance into these optical properties such as absorption and scattering coefficients. To do so, transmission spectroscopy is firstly used to measure the coefficients via an experimental setup. Next, the optical properties of each characterized phantom are input for Monte Carlo (MC simulations to get diffuse reflectance. Also, a surface image for each single phantom with its known optical properties is obliquely captured due to reflectance-based geometrical setup using CMOS camera that is positioned at 5∘ angle to the phantoms. For the illumination of light, a laser light source at 633nm wavelength is preferred, because optical properties of different components in a biological tissue on that wavelength are nonoverlapped. During in vitro measurements, we prepared 30 different mixture samples adding clinoleic intravenous lipid emulsion (CILE and evans blue (EB dye into a distilled water. Finally, all obtained diffuse reflectance values are used to estimate the optical coefficients by artificial neural networks (ANNs in inverse modeling. For a biological tissue it is found that the simulated and measured values in our results are in good agreement.

  12. Growth of highly bright-white silica nanowires as diffusive reflection coating in LED lighting.

    Science.gov (United States)

    Xi, Shuang; Shi, Tielin; Zhang, Lei; Liu, Dan; Lai, Wuxing; Tang, Zirong

    2011-12-19

    Large quantities of silica nanowires were synthesized through thermal treatment of silicon wafer in the atmosphere of N(2)/H(2)(5%) under 1200 °C with Cu as catalyst. These nanowires grew to form a natural bright-white mat, which showed highly diffusive reflectivity over the UV-visible range, with more than 60% at the whole range and up to 88% at 350 nm. The utilization of silica nanowires in diffusive coating on the reflector cup of LED is demonstrated, which shows greatly improved light distribution comparing with the specular reflector cup. It is expected that these nanowires can be promising coating material for optoelectronic applications.

  13. Diffuse reflectance startigraphy - a new method in the study of loess (?)

    Science.gov (United States)

    József, Szeberényi; Balázs, Bradák; Klaudia, Kiss; József, Kovács; György, Varga; Réka, Balázs; Viczián, István

    2017-04-01

    The different varieties of loess (and intercalated paleosol layers) together constitute one of the most widespread terrestrial sediments, which was deposited, altered, and redeposited in the course of the changing climatic conditions of the Pleistocene. To reveal more information about Pleistocene climate cycles and/or environments the detailed lithostratigraphical subdivision and classification of the loess variations and paleosols are necessary. Beside the numerous method such as various field measurements, semi-quantitative tests and laboratory investigations, diffuse reflectance spectroscopy (DRS) is one of the well applied method on loess/paleosol sequences. Generally, DRS has been used to separate the detrital and pedogenic mineral component of the loess sections by the hematite/goethite ratio. DRS also has been applied as a joint method of various environmental magnetic investigations such as magnetic susceptibility- and isothermal remanent magnetization measurements. In our study the so-called "diffuse reflectance stratigraphy method" were developed. At First, complex mathematical method was applied to compare the results of the spectral reflectance measurements. One of the most preferred multivariate methods is cluster analysis. Its scope is to group and compare the loess variations and paleosol based on the similarity and common properties of their reflectance curves. In the Second, beside the basic subdivision of the profiles by the different reflectance curves of the layers, the most characteristic wavelength section of the reflectance curve was determined. This sections played the most important role during the classification of the different materials of the section. The reflectance value of individual samples, belonged to the characteristic wavelength were depicted in the function of depth and well correlated with other proxies like grain size distribution and magnetic susceptibility data. The results of the correlation showed the significance of the

  14. 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.

  15. Non-contact assessment of COD and turbidity concentrations in water using diffuse reflectance UV-Vis spectroscopy.

    Science.gov (United States)

    Agustsson, Jon; Akermann, Oliver; Barry, D Andrew; Rossi, Luca

    2014-08-01

    Water contamination is an important environmental concern underlining the need for reliable real-time information on contaminant concentrations in natural waters. Here, a new non-contact UV-Vis spectroscopic approach for monitoring contaminants in water, and especially wastewater, is proposed. Diffuse reflectance UV-Vis spectroscopy was applied to measure simultaneously the chemical oxygen demand (COD) and turbidity (TUR) concentrations in water. The measurements were carried out in the wavelength range from 200-1100 nm. The measured spectra were analysed using partial-least-squares (PLS) regression. The correlation coefficient between the measured and the reference concentrations of COD and TUR in the water samples were R(2) = 0.85 and 0.96, respectively. These results highlight the potential of non-contact UV-Vis spectroscopy for the assessment of water contamination. A system built on the concept would be able to monitor wastewater pollution continuously, without the need for laborious sample collection and subsequent laboratory analysis. Furthermore, since no parts of the system are in contact with the wastewater stream the need for maintenance is minimised.

  16. Intensity fluctuations of reflected wave from a diffuse target with a hard edge in atmospheric turbulence

    Science.gov (United States)

    Wang, Liguo; Gao, Ming; Li, Yaqing; Gong, Lei

    2017-07-01

    The intensity fluctuation of the reflected field from a diffuse circular plate with a hard edge in turbulence is investigated by combining the Rytov theory and the Extended Huygens-Fresnel principle. The normalized covariance and variance of the reflected intensity are formulated and calculated. The enhancement effect on the normalized variance is discussed around the backscattering direction, which disappears rapidly as the receiving point moves away from the transmitting center. The ;averaging effect; of the target aperture is also discussed, and the results show that the normalized variance and the backscattering enhancement effect decreases with increasing target size.

  17. Wave reflection in a reaction-diffusion system: breathing patterns and attenuation of the echo.

    Science.gov (United States)

    Tsyganov, M A; Ivanitsky, G R; Zemskov, E P

    2014-05-01

    Formation and interaction of the one-dimensional excitation waves in a reaction-diffusion system with the piecewise linear reaction functions of the Tonnelier-Gerstner type are studied. We show that there exists a parameter region where the established regime of wave propagation depends on initial conditions. Wave phenomena with a complex behavior are found: (i) the reflection of waves at a growing distance (the remote reflection) upon their collision with each other or with no-flux boundaries and (ii) the periodic transformation of waves with the jumping from one regime of wave propagation to another (the periodic trigger wave).

  18. Production of a diffuse very high reflectivity material for light collection in nuclear detectors

    CERN Document Server

    Pichler, B J; Mirzoyan, R; Weiss, L; Ziegler, S I

    2000-01-01

    A diffuse very high reflectivity material, based on polytetrafluorethylene (PTFE) for optimization of light-collection efficiency has been developed. PTFE powder was used to produce reflector block material. The powder was pressed with 525 kPa in a form and sintered at 375 deg. C. The reflectivity was above 98% within the spectral range from 350 to 1000 nm. The blocks of this material are machinable with saws, drilling and milling machines. The reflector is used as a housing for scintillating crystals in a nuclear medicine application (small animal positron emission tomograph). It is also used as a light collector in very high-energy gamma-ray astrophysicas experiments, HEGRA and MAGIC. The application of this inexpensive, easy to make diffuse reflector may allow the optimization of light collection in a wide range of low-level light-detector configurations.

  19. [Detection of erucic acid and glucosinolate in intact rapeseed by near-infrared diffuse reflectance spectroscopy].

    Science.gov (United States)

    Riu, Yu-kui; Huang, Kun-lun; Wang, Wei-min; Guo, Jing; Jin, Yin-hua; Luo, Yun-bo

    2006-12-01

    With the rapid development of transgenic food, more and more transgenic food has been pouring into the market, raising great concern about transgenic food' s edible safety. To analyze the content of erucic acid and glucosinolate in transgenic rapeseed and its parents, all the seeds were scanned intact by continuous wave of near infrared diffuse reflectance spectrometry ranging from 12 000 to 4 000 cm(-1) with a resolution of 4 cm(-1) and 64 times of scanning. Bruker OPUS software package was applied for quantification, while the results were compared with the standard methods. The results showed that the method of NIRS was very precise, which proved that infrared diffuse reflectance spectroscopy can be applied to detect the toxins in transgenic food. On the other hand, the results also showed that the content of erucic acid in transgenic rapeseeds is 0. 5-1. 0 times

  20. The Illumination Model of the Valley Based on the Diffuse Reflect of Forest

    Directory of Open Access Journals (Sweden)

    He Guoliang

    2016-01-01

    Full Text Available In this paper, models are build to evaluate the impact of the forest on the valley’s illumination. Based on the assumes that all the light reach the ground comes from the diffuse reflection which comes from the sun directly and from the diffuse reflection of other points, One model is build to consider the impact of time and latitude on the direction of the sunlight. So we can get the direction of the sunlight at different time and latitude through the model. Besides, this paper develops a illumination model to evaluate the intensity of illumination of the ground. Combining the models above, this paper get a complete model which can not only evaluate the overall light intensity of the valley but also convert the light intensity to the intensity of illumination. Simulation of the intensity illumination of some basic terrains and finally gives a comprehensive results which is practical and close to the common sense.

  1. Analysis of Fungal Pellets by UV-Visible Spectrum Diffuse Reflectance Spectroscopy.

    Science.gov (United States)

    Lestan, D; Podgornik, H; Perdih, A

    1993-12-01

    The application of the UV-visible spectrum diffuse reflectance spectroscopy for the determination of intracellular pH in vivo, for determination of cytochrome content, and for the noninvasive in vivo detection of the redox state of fungal mitochondrial cytochromes in filamentous fungi is introduced. The time course of the intracellular pH values, mitochondrial cytochromes, and CO-binding pigments content and the correlations between the actual redox state of cytochrome aa(3) and saturation of growth medium with oxygen in pellets of the basidiomycete Phanerochaete chrysosporium were determined. As the test microorganism, the yeast Saccharomyces cerevisiae was used. UV-visible spectrum diffuse reflectance spectroscopy proved to be a promising method for the quick and simple analysis of light-impermeable biological structures for which the classical transmittance spectrophotometric methods are difficult to implement.

  2. [Achievement of the noninvasive measurement for human blood glucose with NIR diffusion reflectance spectrum method].

    Science.gov (United States)

    Zhang, Hong-yan; Ding, Dong; Song, Li-qiang; Gu, Lin-na; Yang, Peng; Tang, Yu-guo

    2005-06-01

    The noninvasive measurement of human blood glucose was achieved with NIR diffusion reflectance spectrum method. The thumb fingertip NIR diffusion reflectance spectra of six different age healthy volunteers were collected using Nexus-870 and its NIR fiber port smart accessory. The test was implemented with changing the blood glucose concentration for the limosis and satiation of every volunteer. The calibration model was set up using PLS method with the smoothing, baseline correction and first derivatives pretreatment spectrum in the 7500-8500 cm(-1) region for single volunteer, the same age combination and that of different age. When the spectrum was obtained, the actual blood glucose value of every spectrun sample was demarcated using ultraviolet spectrophotometer. The correlation between the calibration value and true value for single volunteer is better than that for the combination of volunteers, the correlative coefficients are all over 0.90471, RMSECs are all less than 0.171.

  3. Determination of the SiO(2)/Si interface roughness by diffuse reflectance measurements.

    Science.gov (United States)

    Roos, A; Bergkvist, M; Ribbing, C G

    1988-11-15

    The problem of determining the roughness of the SiO(2)/Si interface is treated. A model is used based on the Fresnel formalism and scalar scattering theory. The resulting formulas express the diffuse reflectance as a function of the optical constants of the two materials, the oxide thickness and the rms roughness of the interfaces. Using the roughness values as adjustable parameters, quantitative information about the interface roughness is obtained from the diffuse reflectance spectra for an SiO(2)/Si double layer. Excellent agreement between calculated and experimental spectra is obtained for an rms roughness of 9.0 nm at the front surface and 2.2 nm at the oxide substrate interface for the case of a low-pressure low-temperature CVD film of SiO(2) on Si.

  4. Application of transcutaneous diffuse reflectance spectroscopy in the measurement of blood glucose concentration

    Institute of Scientific and Technical Information of China (English)

    Wenliang Chen(陈文亮); Rong Liu(刘蓉); Houxin Cui(崔厚欣); Kexin Xu(徐可欣); Lina Lü(吕丽娜)

    2004-01-01

    In this paper, the propagation characteristics of near-infrared (NIR) light in the palm tissue are analyzed,and the principle and feasibility of using transcutaneous diffuse reflectance spectroscopy for non-invasive blood glucose detection are presented. An optical probe suitable for measuring the diffuse reflectance spectrum of human palm and a non-invasive blood glucose detection system using NIR spectroscopy are designed. Based on this system, oral glucose tolerance tests are performed to measure the blood glucose concentrations of two young healthy volunteers. The partial least square calibration model is then constructed by all individual experimental data. The final result shows that correlation coefficients of the two experiments between the predicted blood glucose concentrations and the reference blood glucose concentrations are 0.9870 and 0.9854, respectively. The root mean square errors of prediction of full cross validation are 0.54 and 0.52 mmol/1, respectively.

  5. Near-infrared spectroscopic monitoring of the diffusion process of deuterium-labeled molecules in wood. Part II: hardwood.

    Science.gov (United States)

    Tsuchikawa, Satoru; Siesler, H W

    2003-06-01

    Fourier transform near-infrared (FT-NIR) transmission spectroscopy was applied to monitor the diffusion process of deuterium-labeled molecules in hardwood (Beech). The results are compared with previous data obtained on softwood (Sitka spruce) in order to consistently understand the state of order in cellulose of wood. The saturation accessibility and diffusion rate varied characteristically with the OH groups in different states of order in the wood substance, the diffusants, and the wood species, respectively. The variation of saturation accessibility should be associated with the fundamental difference of the fine structure such as the microfibrils in the wood substance. The effect of the anatomical cellular structure on the accessibility was reflected in the variation of the diffusion rate with the wood species. The size effect of the diffusants also played an important role for the diffusion process in wood. Since the volumetric percentage of wood fibers and wood rays is relatively similar, the dichroic effects due to the anisotropy of the cellulose chains were apparently diminished. Finally, we proposed a new interpretation of the fine structure of the microfibrils in the cell wall by comparing a series of results from hardwood and softwood. Each elementary fibril in the hardwood has a more homogeneous arrangement in the microfibrils compared to that in the softwood.

  6. Modified polarimetric bidirectional reflectance distribution function with diffuse scattering: surface parameter estimation

    Science.gov (United States)

    Zhan, Hanyu; Voelz, David G.

    2016-12-01

    The polarimetric bidirectional reflectance distribution function (pBRDF) describes the relationships between incident and scattered Stokes parameters, but the familiar surface-only microfacet pBRDF cannot capture diffuse scattering contributions and depolarization phenomena. We propose a modified pBRDF model with a diffuse scattering component developed from the Kubelka-Munk and Le Hors et al. theories, and apply it in the development of a method to jointly estimate refractive index, slope variance, and diffuse scattering parameters from a series of Stokes parameter measurements of a surface. An application of the model and estimation approach to experimental data published by Priest and Meier shows improved correspondence with measurements of normalized Mueller matrix elements. By converting the Stokes/Mueller calculus formulation of the model to a degree of polarization (DOP) description, the estimation results of the parameters from measured DOP values are found to be consistent with a previous DOP model and results.

  7. Diffuse reflectance spectra measured in vivo in human tissues during Photofrin-mediated pleural photodynamic therapy

    OpenAIRE

    Finlay, Jarod C.; Zhu, Timothy C.; Dimofte, Andreea; Friedberg, Joseph S.; Hahn, Stephen M.

    2006-01-01

    Optimal delivery of light in photodynamic therapy (PDT) requires not only optimal placement and power of light sources, but knowledge of the dynamics of light propagation in the tissue being treated and in the surrounding normal tissue, and of their respective accumulations of sensitizer. In an effort to quantify both tissue optical properties and sensitizer distribution, we have measured fluorescence emission and diffuse reflectance spectra at the surface of a variety of tissue types in the ...

  8. Rapid and accurate estimation of blood saturation, melanin content, and epidermis thickness from spectral diffuse reflectance.

    OpenAIRE

    2010-01-01

    We present a method to determine chromophore concentrations, blood saturation, and epidermal thickness of human skin from diffuse reflectance spectra. Human skin was approximated as a plane-parallel slab of variable thickness supported by a semi-infinite layer corresponding to the epidermis and dermis, respectively. The absorption coefficient was modeled as a function of melanin content for the epidermis and blood content and oxygen saturation for the dermis. The scattering coefficient and re...

  9. In vivo burn diagnosis by camera-phone diffuse reflectance laser speckle detection

    OpenAIRE

    Ragol, S.; Remer, I.; Shoham, Y.; Hazan, S.; Willenz, U.; Sinelnikov, I.; Dronov, V.; Rosenberg, L.; Bilenca, A.

    2015-01-01

    Burn diagnosis using laser speckle light typically employs widefield illumination of the burn region to produce two-dimensional speckle patterns from light backscattered from the entire irradiated tissue volume. Analysis of speckle contrast in these time-integrated patterns can then provide information on burn severity. Here, by contrast, we use point illumination to generate diffuse reflectance laser speckle patterns of the burn. By examining spatiotemporal fluctuations in these time-integra...

  10. A modified diffuse reflectance infrared Fourier transform spectroscopy cell for depth profiling of ceramic fibers.

    Science.gov (United States)

    Fondeur, F; Mitchell, B S

    2000-02-15

    A modified diffused reflectance infrared Fourier transformed spectroscopy (DRIFTS) accessory was used to analyze the surface properties of alumino-silicate fibers. The modifications are simple and involve a different way of performing depth-profiling from traditional DRIFTS by removing approximately 2 mm of salt from a full cup prior to placing the sample in for depth profiling. This method proved successful in elucidating the effects of quenching alumino-silicate fibers in mineral oil versus quenching in an air stream.

  11. Analysis of Fungal Pellets by UV-Visible Spectrum Diffuse Reflectance Spectroscopy

    OpenAIRE

    Leštan, Domen; Podgornik, Helena; Perdih, Anton

    1993-01-01

    The application of the UV-visible spectrum diffuse reflectance spectroscopy for the determination of intracellular pH in vivo, for determination of cytochrome content, and for the noninvasive in vivo detection of the redox state of fungal mitochondrial cytochromes in filamentous fungi is introduced. The time course of the intracellular pH values, mitochondrial cytochromes, and CO-binding pigments content and the correlations between the actual redox state of cytochrome aa3 and saturation of g...

  12. Technique for examining biological materials using diffuse reflectance spectroscopy and the kubelka-munk function

    Energy Technology Data Exchange (ETDEWEB)

    Alfano, Robert R.; Yang, Yuanlong

    2003-09-02

    Method and apparatus for examining biological materials using diffuse reflectance spectroscopy and the Kubelka-Munk function. In one aspect, the method is used to determine whether a tissue sample is cancerous or not and comprises the steps of (a) measuring the diffuse reflectance from the tissue sample at a first wavelength and at a second wavelength, wherein the first wavelength is a wavelength selected from the group consisting of 255-265 nm and wherein the second wavelength is a wavelength selected from the group consisting of 275-285 nm; (b) using the Kubelka-Munk function to transform the diffuse reflectance measurement obtained at the first and second wavelengths; and (c) comparing a ratio or a difference of the transformed Kubelka-Munk measurements at the first and second wavelengths to appropriate standards determine whether or not the tissue sample is cancerous. One can use the spectral profile of KMF between 250 nm to 300 nm to determine whether or not the tissue sample is cancerous or precancerous. According to the value at the first and second wavelengths determine whether or not the malignant tissue is invasive or mixed invasive and in situ or carcinoma in situ.

  13. The research on noninvasive detection of skin cholesterol by diffuse reflectance spectroscopy

    Science.gov (United States)

    Hou, Huayi; Han, Yongsheng; Dong, Meili; Zhang, Yuanzhi; Zhu, Ling; Wang, Yikun; Liu, Yong

    2017-01-01

    Skin cholesterol is a novel biomarker to assess the risk of atherosclerotic diseases. To detect skin cholesterol noninvasively and rapidly, a system was designed based on the diffuse reflectance spectroscopy. The feasibility of this system was validated through detecting cholesterol of pig skin samples, and skin cholesterol in vivo of subjects. The experimental results showed that, diffuse reflectance absorbance integrated intensity S measured the concentration of cholesterol in the pig skin samples quantitatively. After adjusting for age, gender and other factors, it showed a significant positive correlation between S of subjects and the total cholesterol (TC), low density lipoprotein cholesterol (LDL-C) which were the main risk factors for atherosclerotic diseases with the correlation coefficients 0.860(P <0.01) and 0.787(P <0.01). The study has shown that the diffuse reflectance spectroscopy provides a noninvasive and convenient method for the detection of skin cholesterol, and the noninvasive detection of skin cholesterol in vivo will contribute to the early detection of atherosclerotic diseases.

  14. In vivo burn diagnosis by camera-phone diffuse reflectance laser speckle detection.

    Science.gov (United States)

    Ragol, S; Remer, I; Shoham, Y; Hazan, S; Willenz, U; Sinelnikov, I; Dronov, V; Rosenberg, L; Bilenca, A

    2016-01-01

    Burn diagnosis using laser speckle light typically employs widefield illumination of the burn region to produce two-dimensional speckle patterns from light backscattered from the entire irradiated tissue volume. Analysis of speckle contrast in these time-integrated patterns can then provide information on burn severity. Here, by contrast, we use point illumination to generate diffuse reflectance laser speckle patterns of the burn. By examining spatiotemporal fluctuations in these time-integrated patterns along the radial direction from the incident point beam, we show the ability to distinguish partial-thickness burns in a porcine model in vivo within the first 24 hours post-burn. Furthermore, our findings suggest that time-integrated diffuse reflectance laser speckle can be useful for monitoring burn healing over time post-burn. Unlike conventional diffuse reflectance laser speckle detection systems that utilize scientific or industrial-grade cameras, our system is designed with a camera-phone, demonstrating the potential for burn diagnosis with a simple imager.

  15. Diffuse reflectance and fluorescence multispectral imaging system for assessment of skin

    Science.gov (United States)

    Saknite, Inga; Jakovels, Dainis; Spigulis, Janis

    2014-05-01

    The diffuse reflectance multispectral imaging technique has been used for distant mapping of in vivo skin chromophores (hemoglobin and melanin). The fluorescence multispectral imaging is not so common for skin applications due to complicity of data acquisition and processing, but could provide additional information about skin fluorophores. Both techniques are compatible, and could be combined into a multimodal solution. The multispectral imaging system Nuance based on liquid crystal tunable filters was adapted for diffuse reflectance and fluorescence spectral imaging of in vivo skin. Uniform illumination was achieved by LED ring light. Combination of four LEDs (warm white, 770 nm, 830 nm and 890 nm) was used to support diffuse reflectance mode in spectral range 450-950 nm. 405 nm LEDs were used for excitation of skin autofluorescence. Multispectral imaging system was adapted for spectral working range of 450-950 nm with scanning step of 10 nm and spectral resolution of 15 nm. An average field of view was 50x35 mm in size with spatial resolution 0,05 mm (the pixel size). Due to spectrally different illumination intensity and system sensitivity, various exposure times (from 7…500 ms) were used for each image acquisition. The proposed approach was tested for different skin lesions: benign nevus, hemangioma, basalioma and halo nevus. Spectral image cubes of different skin lesions were acquired and analyzed to test its diagnostic potential.

  16. Computational study of influence of diffuse basis functions on geometry optimization and spectroscopic properties of losartan potassium

    Science.gov (United States)

    Mizera, Mikołaj; Lewadowska, Kornelia; Talaczyńska, Alicja; Cielecka-Piontek, Judyta

    2015-02-01

    The work was aimed at investigating the influence of diffusion of basis functions on the geometry optimization of molecule of losartan in acidic and salt form. Spectroscopic properties of losartan potassium were also calculated and compared with experiment. Density functional theory method with various basis sets: 6-31G(d,p) and its diffused variations 6-31G(d,p)+ and 6-31G(d,p)++ was used. Application of diffuse basis functions in geometry optimization resulted in significant change of total molecule energy. Total molecule energy of losartan potassium decreased by 112.91 kJ/mol and 114.32 kJ/mol for 6-31G(d,p)+ and 6-31G(d,p)++ basis sets, respectively. Almost the same decrease was observed for losartan: 114.99 kJ/mol and 117.08 kJ/mol respectively for 6-31G(d,p)+ and 6-31G(d,p)++ basis sets. Further investigation showed significant difference within geometries of losartan potassium optimized with investigated basis sets. Application of diffused basis functions resulted in average 1.29 Å difference in relative position between corresponding atoms of three obtained geometries. Similar study taken on losartan resulted in only average 0.22 Å of dislocation. Extensive analysis of geometry changes in molecules obtained with diffused and non-diffuse basis functions was carried out in order to elucidate observed changes. The analysis was supported by electrostatic potential maps and calculation of natural atomic charges. UV, FT-IR and Raman spectra of losartan potassium were calculated and compared with experimental results. No crucial differences between Raman spectra obtained with different basis sets were observed. However, FT-IR spectra of geometry of losartan potassium optimized with 6-31G(d,p)++ basis set resulted in 40% better correlation with experimental FT-IR spectra than FT-IR calculated with geometry optimized with 6-31G(d,p) basis set. Therefore, it is highly advisable to optimize geometry of molecules with ionic interactions using diffuse basis functions

  17. Mapping breast cancer blood flow index, composition, and metabolism in a human subject using combined diffuse optical spectroscopic imaging and diffuse correlation spectroscopy

    Science.gov (United States)

    Yazdi, Hossein S.; O'Sullivan, Thomas D.; Leproux, Anais; Hill, Brian; Durkin, Amanda; Telep, Seraphim; Lam, Jesse; Yazdi, Siavash S.; Police, Alice M.; Carroll, Robert M.; Combs, Freddie J.; Strömberg, Tomas; Yodh, Arjun G.; Tromberg, Bruce J.

    2017-04-01

    Diffuse optical spectroscopic imaging (DOSI) and diffuse correlation spectroscopy (DCS) are model-based near-infrared (NIR) methods that measure tissue optical properties (broadband absorption, μa, and reduced scattering, μs‧) and blood flow (blood flow index, BFI), respectively. DOSI-derived μa values are used to determine composition by calculating the tissue concentration of oxy- and deoxyhemoglobin (HbO2, HbR), water, and lipid. We developed and evaluated a combined, coregistered DOSI/DCS handheld probe for mapping and imaging these parameters. We show that uncertainties of 0.3 mm-1 (37%) in μs‧ and 0.003 mm-1 (33%) in μa lead to ˜53% and 9% errors in BFI, respectively. DOSI/DCS imaging of a solid tissue-simulating flow phantom and a breast cancer patient reveals well-defined spatial distributions of BFI and composition that clearly delineates both the flow channel and the tumor. BFI reconstructed with DOSI-corrected μa and μs‧ values had a tumor/normal contrast of 2.7, 50% higher than the contrast using commonly assumed fixed optical properties. In conclusion, spatially coregistered imaging of DOSI and DCS enhances intrinsic tumor contrast and information content. This is particularly important for imaging diseased tissues where there are significant spatial variations in μa and μs‧ as well as potential uncoupling between flow and metabolism.

  18. Baseline Correction of Diffuse Reflection Near-Infrared Spectra Using Searching Region Standard Normal Variate (SRSNV).

    Science.gov (United States)

    Genkawa, Takuma; Shinzawa, Hideyuki; Kato, Hideaki; Ishikawa, Daitaro; Murayama, Kodai; Komiyama, Makoto; Ozaki, Yukihiro

    2015-12-01

    An alternative baseline correction method for diffuse reflection near-infrared (NIR) spectra, searching region standard normal variate (SRSNV), was proposed. Standard normal variate (SNV) is an effective pretreatment method for baseline correction of diffuse reflection NIR spectra of powder and granular samples; however, its baseline correction performance depends on the NIR region used for SNV calculation. To search for an optimal NIR region for baseline correction using SNV, SRSNV employs moving window partial least squares regression (MWPLSR), and an optimal NIR region is identified based on the root mean square error (RMSE) of cross-validation of the partial least squares regression (PLSR) models with the first latent variable (LV). The performance of SRSNV was evaluated using diffuse reflection NIR spectra of mixture samples consisting of wheat flour and granular glucose (0-100% glucose at 5% intervals). From the obtained NIR spectra of the mixture in the 10 000-4000 cm(-1) region at 4 cm intervals (1501 spectral channels), a series of spectral windows consisting of 80 spectral channels was constructed, and then SNV spectra were calculated for each spectral window. Using these SNV spectra, a series of PLSR models with the first LV for glucose concentration was built. A plot of RMSE versus the spectral window position obtained using the PLSR models revealed that the 8680–8364 cm(-1) region was optimal for baseline correction using SNV. In the SNV spectra calculated using the 8680–8364 cm(-1) region (SRSNV spectra), a remarkable relative intensity change between a band due to wheat flour at 8500 cm(-1) and that due to glucose at 8364 cm(-1) was observed owing to successful baseline correction using SNV. A PLSR model with the first LV based on the SRSNV spectra yielded a determination coefficient (R2) of 0.999 and an RMSE of 0.70%, while a PLSR model with three LVs based on SNV spectra calculated in the full spectral region gave an R2 of 0.995 and an RMSE of

  19. On the Symmetry of Molecular Flows Through the Pipe of an Arbitrary Shape (I) Diffusive Reflection

    Science.gov (United States)

    Kusumoto, Yoshiro

    Molecular gas flows through the pipe of an arbitrary shape is mathematically considered based on a diffusive reflection model. To avoid a perpetual motion, the magnitude of the molecular flow rate must remain invariant under the exchange of inlet and outlet pressures. For this flow symmetry, the cosine law reflection at the pipe wall was found to be sufficient and necessary, on the assumption that the molecular flux is conserved in a collision with the wall. It was also shown that a spontaneous flow occurs in a hemispherical apparatus, if the reflection obeys the n-th power of cosine law with n other than unity. This apparatus could work as a molecular pump with no moving parts.

  20. Light scattering by a rough surface of human skin. 2. Diffuse reflectance

    Energy Technology Data Exchange (ETDEWEB)

    Barun, V V; Ivanov, A P [B.I. Stepanov Institute of Physics, National Academy of Sciences of Belarus, Minsk (Belarus)

    2013-10-31

    Based on the previously calculated luminance factors, we have investigated the integral characteristics of light reflection from a rough surface of the skin with large-scale inhomogeneities under various conditions of the skin illumination. Shadowing of incident and scattered beams by relief elements is taken into account. Diffuse reflectances by the Gaussian and the quasi-periodic surfaces are compared and, in general, both these roughness models are shown to give similar results. We have studied the effect of the angular structure of radiation multiply scattered deep in the tissue and the refraction of rays as they propagate from the dermis to the surface of the stratum corneum on the reflection characteristics of the skin surface. The importance of these factors is demonstrated. The algorithms constructed can be included in the schemes of calculation of the light fields inside and outside the medium in solving various direct and inverse problems of optics of biological tissues. (biophotonics)

  1. Anatomical exposure patterns of skin to sunlight: relative contributions of direct, diffuse and reflected ultraviolet radiation.

    Science.gov (United States)

    Vernez, D; Milon, A; Vuilleumier, L; Bulliard, J-L

    2012-08-01

    The dose-response between ultraviolet (UV) exposure patterns and skin cancer occurrence is not fully understood. Sun-protection messages often focus on acute exposure, implicitly assuming that direct UV radiation is the key contributor to the overall UV exposure. However, little is known about the relative contribution of the direct, diffuse and reflected radiation components. To investigate solar UV exposure patterns at different body sites with respect to the relative contribution of the direct, diffuse and reflected radiation. A three-dimensional numerical model was used to assess exposure doses for various body parts and exposure scenarios of a standing individual (static and dynamic postures). The model was fed with erythemally weighted ground irradiance data for the year 2009 in Payerne, Switzerland. A year-round daily exposure (08:00-17:00 h) without protection was assumed. For most anatomical sites, mean daily doses were high (typically 6.2-14.6 standard erythemal doses) and exceeded the recommended exposure values. Direct exposure was important during specific periods (e.g. midday during summer), but contributed moderately to the annual dose, ranging from 15% to 24% for vertical and horizontal body parts, respectively. Diffuse irradiation explained about 80% of the cumulative annual exposure dose. Acute diffuse exposures were also observed during cloudy summer days. The importance of diffuse UV radiation should not be underestimated when advocating preventive measures. Messages focused on avoiding acute direct exposures may be of limited efficiency to prevent skin cancers associated with chronic exposure. © 2012 The Authors. BJD © 2012 British Association of Dermatologists.

  2. Spectroscopic study of terahertz reflection and transmission properties of carbon-fiber-reinforced plastic composites

    Science.gov (United States)

    Zhang, Jin; Shi, Changcheng; Ma, Yuting; Han, Xiaohui; Li, Wei; Chang, Tianying; Wei, Dongshan; Du, Chunlei; Cui, Hong-Liang

    2015-05-01

    Carbon-fiber-reinforced plastic (CFRP) composites are widely used in aerospace and concrete structure reinforcement due to their high strength and light weight. Terahertz (THz) time-domain spectroscopy is an attractive tool for defect inspection in CFRP composites. In order to improve THz nondestructive testing of CFRP composites, we have carried out systematic investigations of THz reflection and transmission properties of CFRP. Unidirectional CFRP composites with different thicknesses are measured with polarization directions 0 deg to 90 deg with respect to the fiber direction, in both reflection and transmission modes. As shown in the experiments, CFRP composites are electrically conducting and therefore exhibit a high THz reflectivity. In addition, CFRP composites have polarization-dependent reflectivity and transmissivity for THz radiation. The reflected THz power in the case of parallel polarization is nearly 1.8 times higher than for perpendicular polarization. At the same time, in the transmission of THz wave, a CFRP acts as a Fabry-Pérot cavity resulting from multiple internal reflections from the CFRP-air interfaces. Moreover, from the measured data, we extract the refractive index and absorption coefficient of CFRP composites in the THz frequency range.

  3. A partial least squares model for non-volatile residue quantification using diffuse reflectance infrared reflectance spectroscopy

    Science.gov (United States)

    Chen, Amylynn; Moision, Robert M.

    2016-09-01

    Traditionally, quantification of non-volatile residue (NVR) on surfaces relevant to space systems has been performed using solvent wipes for NVR removal followed by gravimetric analysis. In this approach the detectable levels of NVR are ultimately determined by the mass sensitivity of the analytical balance employed. Unfortunately, for routine samples, gravimetric measurement requires large sampling areas, on the order of a square foot, in order to clearly distinguish sample and background levels. Diffuse Reflectance Infrared Reflectance Spectroscopy (DRIFTS) is one possible alternative to gravimetric analysis for NVR measurement. DRIFTS is an analytical technique used for the identification and quantification of organic compounds that has two primary advantages relative to gravimetric based methods: increased sensitivity and the ability to identify classes of organic species present. However, the use of DRIFTS is not without drawbacks, most notably repeatability of sample preparation and the additive quantification uncertainty arising from overlapping infrared signatures. This can result in traditional calibration methods greatly overestimating the concentration of species in mixtures. In this work, a partial least squares (PLS) regression model is shown to be an effective method for removing the over prediction error of a three component mixture of common contaminant species.

  4. Applicability of a Diffuse Reflectance Infrared Fourier Transform handheld spectrometer to perform in situ analyses on Cultural Heritage materials.

    Science.gov (United States)

    Arrizabalaga, Iker; Gómez-Laserna, Olivia; Aramendia, Julene; Arana, Gorka; Madariaga, Juan Manuel

    2014-08-14

    This work studies the applicability of a Diffuse Reflectance Infrared Fourier Transform handheld device to perform in situ analyses on Cultural Heritage assets. This portable diffuse reflectance spectrometer has been used to characterise and diagnose the conservation state of (a) building materials of the Guevara Palace (15th century, Segura, Basque Country, Spain) and (b) different 19th century wallpapers manufactured by the Santa Isabel factory (Vitoria-Gasteiz, Basque Country, Spain) and by the well known Dufour and Leroy manufacturers (Paris, France), all of them belonging to the Torre de los Varona Castle (Villanañe, Basque Country, Spain). In all cases, in situ measurements were carried out and also a few samples were collected and measured in the laboratory by diffuse reflectance spectroscopy (DRIFT) in order to validate the information obtained by the handheld instrument. In the analyses performed in situ, distortions in the diffuse reflectance spectra can be observed due to the presence of specular reflection, showing the inverted bands caused by the Reststrahlen effect, in particular on those IR bands with the highest absorption coefficients. This paper concludes that the results obtained in situ by a diffuse reflectance handheld device are comparable to those obtained with laboratory diffuse reflectance spectroscopy equipment and proposes a few guidelines to acquire good spectra in the field, minimising the influence caused by the specular reflection.

  5. Impact of inner-wall reflection on UV reactor performance as evaluated by using computational fluid dynamics: The role of diffuse reflection.

    Science.gov (United States)

    Li, Wentao; Li, Mengkai; Bolton, James R; Qu, Jiuhui; Qiang, Zhimin

    2017-02-01

    Making use of the reflected ultraviolet (UV) radiation with a reflective inner wall is a promising way to improve UV reactor performance. In this study, the impact of inner-wall reflection on UV reactor performance was evaluated in annular single-lamp UV reactors by using computational fluid dynamics, with an emphasis on the role of diffuse reflection. The UV radiation inside the reactor chamber was simulated using a calibrated discrete ordinates radiation model, which has been proven to be a reliable tool for modeling fluence rate (FR) distributions in UV reactors with a reflective inner wall. The results show that UV reactors with a highly reflective inner wall (Reflectivity = 0.80) had obviously higher FRs and reduction equivalent fluences (REFs) than those with an ordinary inner wall (Reflectivity = 0.26). The inner-wall diffuse reflection further increased the reactor REF, as a result of the elevated volume-averaged FR. The FR distribution uniformity had conditioned contributions to UV reactor performance. Specifically, in UV reactors with a plug-like flow the FR distribution uniformity contributed to the REF to some extent, while in UV reactors with a mixed flow it had little influence on the REF. This study has evaluated, for the first time, the impact of inner-wall diffuse reflection on UV reactor performance and has renewed the understanding about the contribution of FR distribution uniformity to UV reactor performance.

  6. Micro- and macro-attenuated total reflection Fourier transform infrared spectroscopic imaging. Plenary Lecture at the 5th International Conference on Advanced Vibrational Spectroscopy, 2009, Melbourne, Australia.

    Science.gov (United States)

    Kazarian, Sergei G; Chan, K L Andrew

    2010-05-01

    Fourier transform infrared (FT-IR) spectroscopic imaging has become a very powerful method in chemical analysis. In this review paper we describe a variety of opportunities for obtaining FT-IR images using the attenuated total reflection (ATR) approach and provide an overview of fundamental aspects, accessories, and applications in both micro- and macro-ATR imaging modes. The advantages and versatility of both ATR imaging modes are discussed and the spatial resolution of micro-ATR imaging is demonstrated. Micro-ATR imaging has opened up many new areas of study that were previously precluded by inadequate spatial resolution (polymer blends, pharmaceutical tablets, cross-sections of blood vessels or hair, surface of skin, single live cells, cancerous tissues). Recent applications of ATR imaging in polymer research, biomedical and forensic sciences, objects of cultural heritage, and other complex materials are outlined. The latest advances include obtaining spatially resolved chemical images from different depths within a sample, and surface-enhanced images for macro-ATR imaging have also been presented. Macro-ATR imaging is a valuable approach for high-throughput analysis of materials under controlled environments. Opportunities exist for chemical imaging of dynamic aqueous systems, such as dissolution, diffusion, microfluidics, or imaging of dynamic processes in live cells.

  7. Ultra-narrow spectroscopic cells in atomic spectroscopy: reflection, transmission, fluorescence, and nonadiabatic transitions at the walls

    Science.gov (United States)

    Pazgalev, A.; Sarkisyan, D.; Cartaleva, S.; Przhibelskii, S.; Vartanyan, T.

    2014-11-01

    Ultra-narrow cells with the thicknesses in the range from several wavelengths to the small fractions of the wavelength brought a number of new opportunities for atomic spectroscopy. Depending on the cell thickness, spectral lines recorded in ultra-narrow cells are either Doppler-free or Doppler-broadened. With careful selection of the cell thickness hyperfine structure may be easily resolved without resorting on the multibeam nonlinear optical techniques. Moreover, frequent collisions with the walls leads to the important modifications of velocity selective optical pumping resonances. Finally, ultra-narrow cells provide with the unique opportunity to study collisions of the excited atoms with the solid surfaces. In this contribution several examples of the use of the ultra-narrow spectroscopic cells filled with the alkali atomic vapour is presented. First, we discuss general aspects of the transient polarisation that defines all peculiarities of an ultra-narrow cell as a spectroscopic tool. Second, we demonstrate the resolution of the magnetic sublevels in the transition from Zeeman to Paschen-Back regime in the Cs hyperfine structure. Third, new aspects of velocity selective optical pumping resonances in reflection and transmission of resonant radiation by the 6 wavelengths thick cell filled with Cs are discussed. Forth, the experimental evidences of the nonadiabatic transitions between excited states of Rb atoms in the course of collisions with the sapphire surface are presented.

  8. Method for Calculating the Optical Diffuse Reflection Coefficient for the Ocular Fundus

    Science.gov (United States)

    Lisenko, S. A.; Kugeiko, M. M.

    2016-07-01

    We have developed a method for calculating the optical diffuse reflection coefficient for the ocular fundus, taking into account multiple scattering of light in its layers (retina, epithelium, choroid) and multiple refl ection of light between layers. The method is based on the formulas for optical "combination" of the layers of the medium, in which the optical parameters of the layers (absorption and scattering coefficients) are replaced by some effective values, different for cases of directional and diffuse illumination of the layer. Coefficients relating the effective optical parameters of the layers and the actual values were established based on the results of a Monte Carlo numerical simulation of radiation transport in the medium. We estimate the uncertainties in retrieval of the structural and morphological parameters for the fundus from its diffuse reflectance spectrum using our method. We show that the simulated spectra correspond to the experimental data and that the estimates of the fundus parameters obtained as a result of solving the inverse problem are reasonable.

  9. Diffuse reflectance spectra measured in vivo in human tissues during Photofrin-mediated pleural photodynamic therapy

    Science.gov (United States)

    Finlay, Jarod C.; Zhu, Timothy C.; Dimofte, Andreea; Friedberg, Joseph S.; Hahn, Stephen M.

    2006-02-01

    Optimal delivery of light in photodynamic therapy (PDT) requires not only optimal placement and power of light sources, but knowledge of the dynamics of light propagation in the tissue being treated and in the surrounding normal tissue, and of their respective accumulations of sensitizer. In an effort to quantify both tissue optical properties and sensitizer distribution, we have measured fluorescence emission and diffuse reflectance spectra at the surface of a variety of tissue types in the thoracic cavities of human patients. The patients studied here were enrolled in Phase II clinical trials of Photofrin-mediated PDT for the treatment of non-small cell lung cancer and cancers with pleural effusion. Patients were given Photofrin at dose of 2 mg per kg body weight 24 hours prior to treatment. Each patient received surgical resection of the affected lung and pleura. Patients received intracavity PDT at 630nm to a dose of 30 J/cm2, as determined by isotropic detectors sutured to the cavity walls. We measured the diffuse reflectance spectra before and after PDT in various positions within the cavity, including tumor, diaphragm, pericardium, skin, and chest wall muscle in 5 patients. The measurements we acquired using a specially designed fiber optic-based probe consisting of one fluorescence excitation fiber, one white light delivery fiber, and 9 detection fibers spaced at distances from 0.36 to 7.8 mm from the source, all of which are imaged via a spectrograph onto a CCD, allowing measurement of radially-resolved diffuse reflectance and fluorescence spectra. The light sources for these two measurements (a 403-nm diode laser and a halogen lamp, respectively) were blocked by computer-controlled shutters, allowing sequential fluorescence, reflectance, and background acquisition. The diffuse reflectance was analyzed to determine the absorption and scattering spectra of the tissue and from these, the concentration and oxygenation of hemoglobin and the local drug uptake

  10. A comparison of reflectance and transmittance near-infrared spectroscopic techniques in determining drug content in intact tablets.

    Science.gov (United States)

    Thosar, S S; Forbess, R A; Ebube, N K; Chen, Y; Rubinovitz, R L; Kemper, M S; Reier, G E; Wheatley, T A; Shukla, A J

    2001-01-01

    Drug contents of intact tablets were determined using non-destructive near infrared (NIR) reflectance and transmittance spectroscopic techniques. Tablets were compressed from blends of Avicel PH-101 and 0.5% w/w magnesium stearate with varying concentrations of anhydrous theophylline (0, 1, 2, 5, 10, 20 and 40% w/w). Ten tablets from each drug content batch were randomly selected for spectral analysis. Both reflectance and transmittance NIR spectra were obtained from these intact tablets. Actual drug contents of the tablets were then ascertained using a UV-spectrophotometer at 268 nm. Multiple linear regression (MLR) models at 1116 nm and partial least squares (PLS) calibration models were generated from the second derivative spectral data of the tablets in order to predict drug contents of intact tablets. Both the reflectance and the transmittance techniques were able to predict the drug contents in intact tablets over a wide range. However, a comparison of the results of the study indicated that the lowest percent errors of prediction were provided by the PLS calibration models generated from spectral data obtained using the transmittance technique.

  11. Micro-Attenuated Total Reflection Fourier Transform Infrared (Micro ATR FT-IR) Spectroscopic Imaging with Variable Angles of Incidence.

    Science.gov (United States)

    Wrobel, Tomasz P; Vichi, Alessandra; Baranska, Malgorzata; Kazarian, Sergei G

    2015-10-01

    The control of the angle of incidence in attenuated total reflection (ATR) Fourier transform infrared (FT-IR) spectroscopy allows for the probing of the sample at different depths of penetration of the evanescent wave. This approach has been recently coupled with macro-imaging capability using a diamond ATR accessory. In this paper, the design of optical apertures for the micro-germanium (Ge) ATR objective is presented for an FT-IR spectroscopic imaging microscope, allowing measurements with different angles of incidence. This approach provides the possibility of three-dimensional (3D) profiling in micro-ATR FT-IR imaging mode. The proof of principle results for measurements of polymer laminate samples at different angles of incidence confirm that controlling the depth of penetration is possible using a Ge ATR objective with added apertures.

  12. High-throughput thermal stability analysis of a monoclonal antibody by attenuated total reflection FT-IR spectroscopic imaging.

    Science.gov (United States)

    Boulet-Audet, Maxime; Byrne, Bernadette; Kazarian, Sergei G

    2014-10-07

    The use of biotherapeutics, such as monoclonal antibodies, has markedly increased in recent years. It is thus essential that biotherapeutic production pipelines are as efficient as possible. For the production process, one of the major concerns is the propensity of a biotherapeutic antibody to aggregate. In addition to reducing bioactive material recovery, protein aggregation can have major effects on drug potency and cause highly undesirable immunological effects. It is thus essential to identify processing conditions which maximize recovery while avoiding aggregation. Heat resistance is a proxy for long-term aggregation propensity. Thermal stability assays are routinely performed using various spectroscopic and scattering detection methods. Here, we evaluated the potential of macro attenuated total reflection Fourier transform infrared (ATR-FT-IR) spectroscopic imaging as a novel method for the high-throughput thermal stability assay of a monoclonal antibody. This chemically specific visualization method has the distinct advantage of being able to discriminate between monomeric and aggregated protein. Attenuated total reflection is particularly suitable for selectively probing the bottom of vessels, where precipitated aggregates accumulate. With focal plane array detection, we tested 12 different buffer conditions simultaneously to assess the effect of pH and ionic strength on protein thermal stability. Applying the Finke model to our imaging kinetics allowed us to determine the rate constants of nucleation and autocatalytic growth. This analysis demonstrated the greater stability of our immunoglobulin at higher pH and moderate ionic strength, revealing the key role of electrostatic interactions. The high-throughput approach presented here has significant potential for analyzing the stability of biotherapeutics as well as any other biological molecules prone to aggregation.

  13. Spectroscopic Separation of Solar Wind Charge Exchange, Local Bubble, and Nearby Supernova Remnant X-rays: Diffuse X-ray Spectrometer Recent Results

    Science.gov (United States)

    Morgenthaler, Jeffrey P.; Edgar, R. J.; Sanders, W. T.; Smith, R. K.; Koutroumpa, D.; Henley, D. B.; Shelton, R. L.; Robertson, I. P.; Collier, M. R.; Cravens, T. E.

    2011-05-01

    The Diffuse X-ray Spectrometer (DXS) was a Space Shuttle Payload of Opportunity that flew in 1993. DXS measured the spectrum of the diffuse X-ray background (DXRB) between 150 eV and 284 eV (the 1/4 keV band) using a Bragg crystal spectrometer. Higher order Bragg reflections included the OVII and OVIII features. The counting statistics and spectroscopic resolving power of the DXS measurements have yet to be rivaled in the 1/4 keV band. DXS had a 15°x15° FOV that was repeatedly scanned over a 140° arc in the Galactic plane centered roughly toward the Galactic anti-center. The Vela-Puppis and the Monogem ring supernova remnants were studied, as well 3 adjacent regions typical of the DXRB. During the 5-day Shuttle flight, the total sky-looking DXS count rate unexpectedly dropped by 20%, suggesting a significant and variable local source of X-rays, likely generated by the solar wind charge exchange mechanism (SWCX) in the geocorona and/or a passing coronal mass ejection. We use this unique dataset to: (1) Show that a state-of-the-art heliospheric SWCX model compares reasonably well to the DXS DXRB spectrum in the 190-284 eV range, but falls short in the 150-190 eV range. (2) Spectroscopically resolve the OVII forbidden and resonance lines, showing that the resonance line is somewhat stronger. This confirms there is a contribution to the DXRB from a source other than the SWCX. (3) Present spectra of the Vela-Puppis and Monogem regions cleaned of all foreground X-ray emission and compare to standard collisional ionization equilibrium plasma models. The discrepancies between the models and data highlight the need for continued progress in understanding the L-shell ions of Mg, Si, S and the M-shell ions of Fe. (4) Present the first isolated spectrum of the SWCX in the 1/4 keV band that resolves lines/line complexes.

  14. 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.

  15. Time-resolved spectroscopic measurements behind incident and reflected shock waves in air and xenon

    Science.gov (United States)

    Yoshinaga, T.

    1973-01-01

    Time-resolved spectra have been obtained behind incident and reflected shock waves in air and xenon at initial pressures of 0.1 and 1.0 torr using a rotating drum spectrograph and the OSU (The Ohio State University) arc-driven shock tube. These spectra were used to determine the qualitative nature of the flow as well as for making estimates of the available test time. The (n+1,n) and (n,n) band spectra of N2(+) (1st negative) were observed in the test gas behind incident shock waves in air at p1=1.0 torr and Us=9-10 km/sec. Behind reflected shock waves in air, the continuum of spectra appeared to cover almost the entire wavelength of 2,500-7,000 A for the shock-heated test gas. For xenon, the spectra for the incident shock wave cases for p1=0.1 torr show an interesting structure in which two intensely bright regions are witnessed in the time direction. The spectra obtained behind reflected shock waves in xenon were also dominated by continuum radiation but included strong absorption spectra due to FeI and FeII from the moment the reflected shock passed and on.

  16. An Overview of Ultraviolet Through Infrared Reflectance Spectroscopic Observations of Mercury During the First MESSENGER Flyby

    Science.gov (United States)

    Izenberg, N. R.; McClintock, W. E.; Holsclaw, G. M.; Robinson, M. S.; Blewett, D. T.; Domingue, D. L.; Head, J. W.; Jensen, E. A.; Kochte, M. C.; Lankton, M. R.; Murchie, S. L.; Sprague, A. L.; Vilas, F.; Solomon, S. C.

    2008-05-01

    During the first MESSENGER flyby of Mercury on January 14, 2008, the Mercury Atmospheric and Surface Composition Spectrometer (MASCS) measured reflectance spectra from Mercury's surface over the wavelength range 220-1450 nm. These are the first high-spatial-resolution (Mozart crater and in Tir Planitia. Ground-based observations of Mercury reveal a surface with a red, nearly featureless spectrum in the visible and near-infrared (wavelengths greater than ~ 500 nm) that has been interpreted as evidence for a largely iron-poor feldspathic composition. Initial analyses of VIRS spectra also show strongly red-sloped, near featureless spectra, appearing to support contentions of low iron abundance in surface materials. However, interpretation of Mercury's spectral reflectance is complicated by our lack of knowledge about the effects on its surface materials of space weathering, which both suppresses the strength of spectral absorption features and reddens the spectrum. Brightness variations and absorption bands in ultraviolet reflectance may help determine both the nature and extent of processes that modify observed reflectance at longer wavelengths. MASCS surface observation data demonstrate spectral variations across the Mercury surface that can be related to previous telescopic observations, compared and contrasted with lunar observations, and linked to possible influences of space weathering.

  17. Determination of tissue optical properties from spatially resolved relative diffuse reflectance

    Science.gov (United States)

    Chen, Yaqin; Lin, Ling; Li, Gang; Ye, Wenyu; Yu, Qilian

    2004-07-01

    Noninvasive determination of μs' and μa is essential for clinical applications in medical diagnostics and therapeutics. Spatially resolved diffuse reflectance method is more advantageous than other techniques because of its simplicity and low-cost. The methods for solving the nonlinear inverse problem of estimates of μs' and μa from spatially resolved diffuse reflectance Rd(r) can be classified into the algorithms based on absolute or relative reflectance measurements in nature. Since absolute reflectance measurements are technically more difficult to perform than the relative one, study on the methods based on the relative reflectance has a more important meaning for real applications. Considering that there were several normalizations of Rd(r), in this paper we discussed the varieties of prediction rms errors of μs' and μa extracted from relative reflectance data of different normalization forms including Rd(r)/Rd(r)max, r2(Rd(r)/Rd(r)max), 1n(Rd(r)/Rd(r)max) and 1n(r2(Rd(r)/Rd(r)max)). Additionally, we compared the accuracies of μs' and μa determined from absolute reflectance data Rd(r) and 1n(Rd(r)) with that from relative reflectance data to study the loss of accuracy due to normalization. Rather than the traditional neural network methods, we used a new method -- PCA-NN trained with diffuse reflectance data from Monte Carlo simulations to derive μs' and μa. All the PCA-NNs were trained and tested on the space with μs' between 0.1 and 2.0 mm-1 and μa between 0.01 and 0.1 mm-1. The test results indicate that the rms errors in μs' and μa are 0.72% and 2.57% for Rd(r), 0.28% and 0.55% for 1n(Rd(r), 2.98% and 5.44% for Rd(r)/Rd(r)max, 2.22% and 3.21% for 1n(Rd(r)/Rd(r)max), 6.52% and 20.7% for r2(Rd(r)/Rd(r)max), and 2.22% and 3.21% for 1n(r2(Rd(r)/Rd(r)max)), suggesting that the normalization form 1n(Rd(r)/Rd(r)max) would be the first choice for the estimates of μs' and μa from relative reflectance data by PCA-NN. Although the loss of accuracy due

  18. Speckle-free digital holographic recording of a diffusely reflecting object.

    Science.gov (United States)

    Kim, You Seok; Kim, Taegeun; Woo, Sung Soo; Kang, Hoonjong; Poon, Ting-Chung; Zhou, Changhe

    2013-04-08

    We demonstrate holographic recording without speckle noise using the digital holographic technique called optical scanning holography (OSH). First, we record a complex hologram of a diffusely reflecting (DR) object using OSH. The incoherent mode of OSH makes it possible to record the complex hologram without speckle noise. Second, we convert the complex hologram to an off-axis real hologram digitally and finally we reconstruct the real hologram using an amplitude-only spatial light modulator (SLM) without twin-image noise and speckle noise. To the best of our knowledge, this is the first time demonstrating digital holographic recording of a DR object without speckle noise.

  19. A handheld wireless device for diffuse optical spectroscopic assessment of infantile hemangiomas

    Science.gov (United States)

    Fong, Christopher J.; Flexman, Molly; Hoi, Jennifer W.; Geller, Lauren; Garzon, Maria; Kim, Hyun K.; Hielscher, Andreas H.

    2013-03-01

    Infantile hemangiomas (IH) are common vascular growths that occur in 5-10% of neonates and have the potential to cause disfiguring and even life-threatening complications. With no objective tool to monitor IH, a handheld wireless device (HWD) that uses diffuse optical spectroscopy has been developed for use in assessment of IH by measurements in absolute oxygenated and deoxygenated hemoglobin concentration as well as scattering in tissue. Reconstructions of these variables can be computed using a multispectral evolution algorithm. We validated the new system by experimental studies using phantom experiments and a clinical study is under way to assess the utility of DOI for IH.

  20. Spectroscopic direct detection of reflected light from extra-solar planets

    CERN Document Server

    Martins, Jorge H C; Santos, Nuno; Lovis, Christophe

    2013-01-01

    At optical wavelengths, an exoplanet's signature is essentially reflected light from the host star - several orders of magnitude fainter. Since it is superimposed on the star spectrum its detection has been a difficult observational challenge. However, the development of a new generation of instruments like ESPRESSO and next generation telescopes like the E-ELT put us in a privileged position to detect these planets' reflected light as we will have access to extremely high signal-to-noise ratio spectra. With this work, we propose an alternative approach for the direct detection of the reflected light of an exoplanet. We simulated observations with ESPRESSO@VLT and HIRES@E-ELT of several star+planet systems, encompassing 10h of the most favourable orbital phases. To the simulated spectra we applied the Cross Correlation Function to operate in a much higher signal-to-noise ratio domain than when compared with the spectra. The use of the Cross-Correlation Function permitted us to recover the simulated the planet...

  1. Comprehensive analysis of the diffuse-to-near-normal-viewing reflectance factor of paint films

    Science.gov (United States)

    García-Valenzuela, Augusto; Cuppo, Fabio Luiz Sant'anna; Olivares, Jose Alberto; Galván-Miyoshi, Julián M.

    2011-05-01

    We present a comprehensive derivation of the so-called diffuse to near-normal-viewing reflectance factor of an architectural paint coating and its measurement with an integrating sphere. We focus our attention to the surface correction terms and consider the case when the surface is rough. We point out limits of the standard formula with the so-called Saunderson corrections commonly used for paint coatings. We provide and discuss a corrected definition of the roughness-dependent ``gloss factor'' needed to describe specular-component excluded measurements. We show that as the roughness of the surface increases, the specular-excluded reflectance-factor increases, approaching its value with the specular-component included.

  2. Optical properties of enamel and translucent composites by diffuse reflectance measurements.

    Science.gov (United States)

    Li, Rong; Ma, Xiao; Liang, Shanshan; Sa, Yue; Jiang, Tao; Wang, Yining

    2012-07-01

    The aim of this study was to evaluate the optical properties of natural enamel and translucent composites by diffuse reflectance measurements and Kubelka-Munk's theory. Twenty natural enamel slabs and 80 composite replicas using four brands of translucent composites (Gradia Direct, Venus, Brilliant New line and Beautiful II; n=20) were evaluated at thicknesses of 1.0mm. The spectral distributions of enamel and composites were measured by means of a reflectance spectrophotometer. Optical constants including scattering coefficient (S), absorption coefficient (K), light reflectivity (RI) and infinite optical thickness (X(∞)) were calculated from the spectral reflectance data using Kubelka's equations. Paired t-tests were performed to evaluate the differences of optical constants (S, K, RI and X(∞)) between natural enamel and composites. The optical constants S and K decreased with increasing wavelength, while RI and X(∞) increased with increasing wavelength within the visible spectrum. The values of enamel were in the range of the optical constants of these composites within the visible spectrum. However, there were significant differences of optical constants (S, K, RI and X(∞)) between enamel and translucent composites (pcomposites were not completely consistent with that of natural enamel. In addition, the optical properties of these translucent composites varied with the brands of the composites. Copyright © 2012 Elsevier Ltd. All rights reserved.

  3. Near-surface sensitivity suppression way for diffuse reflective optical tomography: simulation and a phantom study

    Science.gov (United States)

    Fukuda, Keiko; Fujii, Mamiko

    2007-07-01

    Diffuse reflective optical measurement is a useful approach for monitoring the oxygen consumption of living tissue such as brain and muscle. To improve the oxygen consumption measurement accuracy, we propose a method for suppressing the near-surface sensitivity. Diffuse reflective light is detected at the aperture used for irradiating the light and is used as a cancellation signal for near-field sensitivity in the conventional measurement scheme. Photon fluence density functions and positional dependences of detected light sensitivity to change in absorbance were simulated. The sensitivity detected at the same position (aperture) as irradiation was significantly high for the near-surface region. With our method, the near-surface sensitivity is reduced by more than 90% while keeping target sensitivity almost constant (only 3% deterioration). The near-surface and deep-field sensitivity was measured with a phantom with light (785 nm) modulated at 1 kHz through an optical fiber bundle. It confirmed suppressed the near-surface sensitivity by subtracting the light detected at the same aperture from the light detected at another aperture.

  4. Characterizing the moisture content of tea with diffuse reflectance spectroscopy using wavelet transform and multivariate analysis.

    Science.gov (United States)

    Li, Xiaoli; Xie, Chuanqi; He, Yong; Qiu, Zhengjun; Zhang, Yanchao

    2012-01-01

    Effects of the moisture content (MC) of tea on diffuse reflectance spectroscopy were investigated by integrated wavelet transform and multivariate analysis. A total of 738 representative samples, including fresh tea leaves, manufactured tea and partially processed tea were collected for spectral measurement in the 325-1,075 nm range with a field portable spectroradiometer. Then wavelet transform (WT) and multivariate analysis were adopted for quantitative determination of the relationship between MC and spectral data. Three feature extraction methods including WT, principal component analysis (PCA) and kernel principal component analysis (KPCA) were used to explore the internal structure of spectral data. Comparison of those three methods indicated that the variables generated by WT could efficiently discover structural information of spectral data. Calibration involving seeking the relationship between MC and spectral data was executed by using regression analysis, including partial least squares regression, multiple linear regression and least square support vector machine. Results showed that there was a significant correlation between MC and spectral data (r = 0.991, RMSEP = 0.034). Moreover, the effective wavelengths for MC measurement were detected at range of 888-1,007 nm by wavelet transform. The results indicated that the diffuse reflectance spectroscopy of tea is highly correlated with MC.

  5. Optical clearing of melanoma in vivo: characterization by diffuse reflectance spectroscopy and optical coherence tomography

    Science.gov (United States)

    Pires, Layla; Demidov, Valentin; Vitkin, I. Alex; Bagnato, Vanderlei; Kurachi, Cristina; Wilson, Brian C.

    2016-08-01

    Melanoma is the most aggressive type of skin cancer, with significant risk of fatality. Due to its pigmentation, light-based imaging and treatment techniques are limited to near the tumor surface, which is inadequate, for example, to evaluate the microvascular density that is associated with prognosis. White-light diffuse reflectance spectroscopy (DRS) and near-infrared optical coherence tomography (OCT) were used to evaluate the effect of a topically applied optical clearing agent (OCA) in melanoma in vivo and to image the microvascular network. DRS was performed using a contact fiber optic probe in the range from 450 to 650 nm. OCT imaging was performed using a swept-source system at 1310 nm. The OCT image data were processed using speckle variance and depth-encoded algorithms. Diffuse reflectance signals decreased with clearing, dropping by ˜90% after 45 min. OCT was able to image the microvasculature in the pigmented melanoma tissue with good spatial resolution up to a depth of ˜300 μm without the use of OCA; improved contrast resolution was achieved with optical clearing to a depth of ˜750 μm in tumor. These findings are relevant to potential clinical applications in melanoma, such as assessing prognosis and treatment responses. Optical clearing may also facilitate the use of light-based treatments such as photodynamic therapy.

  6. [The evaluation of hydrocarbon potential generation for source rocks by near-infrared diffuse reflection spectra].

    Science.gov (United States)

    Zhang, Yu-Jia; Xu, Xiao-Xuan; Song, Ning; Wu, Zhong-Chen; Zhou, Xiang; Chen, Jin; Cao, Xue-Wei; Wang, Bin

    2011-04-01

    Near-infrared (NIR) and mid-infrared (MIR) diffuse reflection spectra were compared and evaluated for hydrocarbon potential generation of source rocks. Near-infrared diffuse reflectance often exhibits significant differences in the spectra due to the non-homogeneous distribution of the particles, so the signal-to-noise ratio of NIR is much lower than MIR It is too difficult to get accurate results by NIR without using a strong spectral preprocessing method to remove systematic noise such as base-line variation and multiplicative scatter effects. In the present paper, orthogonal signal correction (OSC) and an improved algorithm of it, i.e. direct orthogonal signal correction (DOSC), are used as different methods to preprocess both the NIR and MIR spectra of the hydrocarbon source rocks. Another algorithm, wavelet multi-scale direct orthogonal signal correction (WMDOSC), which is a combination of discrete wavelet transform (DWT) and DOSC, is also used as a preprocessing method. Then, the calibration model of hydrocarbon source rocks before and after pretreatment was established by interval partial least square (iPLS). The experimental results show that WMDOSC is more successfully applied to preprocess the NIR spectra data of the hydrocarbon source rocks than other two algorithms, and NIR performed as good as MIR in the analysis of hydrocarbon potential generation of source rocks with WMDOSC-iPLS pretreatment calibration model.

  7. Characterizing the Moisture Content of Tea with Diffuse Reflectance Spectroscopy Using Wavelet Transform and Multivariate Analysis

    Directory of Open Access Journals (Sweden)

    Chuanqi Xie

    2012-07-01

    Full Text Available Effects of the moisture content (MC of tea on diffuse reflectance spectroscopy were investigated by integrated wavelet transform and multivariate analysis. A total of 738 representative samples, including fresh tea leaves, manufactured tea and partially processed tea were collected for spectral measurement in the 325–1,075 nm range with a field portable spectroradiometer. Then wavelet transform (WT and multivariate analysis were adopted for quantitative determination of the relationship between MC and spectral data. Three feature extraction methods including WT, principal component analysis (PCA and kernel principal component analysis (KPCA were used to explore the internal structure of spectral data. Comparison of those three methods indicated that the variables generated by WT could efficiently discover structural information of spectral data. Calibration involving seeking the relationship between MC and spectral data was executed by using regression analysis, including partial least squares regression, multiple linear regression and least square support vector machine. Results showed that there was a significant correlation between MC and spectral data (r = 0.991, RMSEP = 0.034. Moreover, the effective wavelengths for MC measurement were detected at range of 888–1,007 nm by wavelet transform. The results indicated that the diffuse reflectance spectroscopy of tea is highly correlated with MC.

  8. [Detection of benzoyl peroxide in wheat flour by NIR diffuse reflectance spectroscopy technique].

    Science.gov (United States)

    Zhang, Zhi-yong; Li, Gang; Liu, Hai-xue; Lin, Ling; Zhang, Bao-ju; Wu, Xiao-rong

    2011-12-01

    Adding benzoyl peroxide (BPO) into wheat flour was prohibited by the relevant government departments since May 1, 2011. And it is of great importance to detect BPO additive amount in wheat flour quickly and accurately. Part of BPO which was added into wheat flour will be deoxidized into benzoic acid, and this make it complex to detect the original BPO additive amount. The objective of the present research is to investigate the potential of NIR diffuse reflectance spectroscopy as a way for measurement of BPO original adding amount in wheat flour. A total of 133 wheat flour samples were prepared by adding different content of BPO into pure wheat flour. Spectra data were obtained by NIR spectrometer and then denoised by wavelet transform. Ninety seven samples were taken as calibration set and other 36 samples as prediction set. Partial least squares regression (PLSR) was applied to establish the calibration model between BPO original adding contents and the spectra data. The determination coefficient of model for the calibration set is 0.8901, and root mean squared error of calibration (RMSEC) is 40.85 mg x kg(-1). The determination coefficient for the prediction set is 0.8865, and root mean squared error of prediction (RMSEP) is 44.69 mg x kg(-1). The result indicates that it is feasible to detect the BPO adding contents in wheat flour by NIR diffuse reflectance spectroscopy technique and this technique has the potential to measure some other additives in food.

  9. Evidence for a spectroscopic direct detection of reflected light from 51 Peg b

    CERN Document Server

    Martins, J H C; Figueira, P; Faria, J P; Montalto, M; Boisse, I; Ehrenreich, D; Lovis, C; Mayor, M; Melo, C; Pepe, F; Sousa, S G; Udry, S; Cunha, D

    2015-01-01

    The detection of reflected light from an exoplanet is a difficult technical challenge at optical wavelengths. Even though this signal is expected to replicate the stellar signal, not only is it several orders of magnitude fainter, but it is also hidden among the stellar noise. We apply a variant of the cross-correlation technique to HARPS observations of 51 Peg to detect the reflected signal from planet 51 Peg b. Our method makes use of the cross-correlation function of a binary mask with high-resolution spectra to amplify the minute planetary signal that is present in the spectra by a factor proportional to the number of spectral lines when performing the cross correlation. The resulting cross-correlation functions are then normalized by a stellar template to remove the stellar signal. Carefully selected sections of the resulting normalized CCFs are stacked to increase the planetary signal further. The recovered signal allows probing several of the planetary properties, including its real mass and albedo. We...

  10. Objective and Subjective Evaluation of Reflecting and Diffusing Surfaces in Auditoria

    Science.gov (United States)

    Cox, Trevor John

    Available from UMI in association with The British Library. Requires signed TDF. The performance of reflectors and diffusers used in auditoria have been evaluated both objectively and subjectively. Two accurate systems have been developed to measure the scattering from surfaces via the cross correlation function. These have been used to measure the scattering from plane panels, curved panels and quadratic residue diffusers (QRDs). The scattering measurements have been used to test theoretical prediction methods based on the Helmholtz-Kirchhoff integral equation. Accurate prediction methods were found for all surfaces tested. The limitations of the more approximate methods have been defined. The assumptions behind Schroeder's design of the QRD have been tested and the local reacting admittance assumption found to be valid over a wide frequency range. It was found that the QRD only produces uniform scattering at low frequencies. For an on-axis source the scattering from a curved panel was as good as from a QRD. For an oblique source the QRD produced much more uniform scattering than the curved panel. The subjective measurements evaluated the smallest perceivable change in the early sound field, the part most influenced by reflectors and diffusers. A natural sounding simulation of a concert hall field within an anechoic chamber was used. Standard objective parameters were reasonable values when compared to values found in real halls and subjective preference measurements. A difference limen was measured for early lateral energy fraction (.048 +/-.005); inter aural cross correlation (.075 +/-.008); clarity index (.67 +/-.13 dB); and centre time (8.6 +/- 1.6 ms). It was found that: (i) when changes are made to diffusers and reflectors, changes in spatial impression will usually be larger than those in clarity; and (ii) acousticians can gain most by paying attention to lateral sound in auditoria. It was also found that: (i) diffuse reflections in the early sound field

  11. Crystallization and spectroscopic studies of manganese malonate

    Indian Academy of Sciences (India)

    Varghese Mathew; Jochan Joseph; Sabu Jacob; K E Abraham

    2010-08-01

    The preparation of manganese malonate crystals by gel method and its spectroscopic studies are reported. X-ray diffraction (XRD) pattern reveals the crystalline nature. The FTIR and FT Raman spectra of the crystals are recorded and the vibrational assignments are given with possible explanations. Diffuse reflectance spectroscopy (DRS) is used to measure the bandgap (g) of the material.

  12. Determination of diffusion, reflection and deexcitation coefficients of metastable excited Ne(3P2) atom

    Science.gov (United States)

    Suzuki, S.; Itoh, H.

    2016-05-01

    The diffusion coefficient of the metastable excited Ne(3P2) atom in neon, the reflection coefficient of Ne(3P2) at the surface of an electrode and the rate coefficient of Ne(3P2) for collisional quenching by Ne(1S0) were determined from the gas pressure dependence of the effective lifetime of Ne(3P2). The effective lifetime of Ne(3P2) was measured from the transient current after turning off the Ultraviolet (UV) light in a Townsend discharge. The observed transient current waveform was analysed by solving the diffusion equation for the metastable excited Ne(3P2) atom using the third kind of boundary condition. The rate coefficient of Ne(3P2) for collisional quenching by Ne(1S0) and the reflection coefficient were determined by a nonspectroscopic method for the first time in neon to the best of our knowledge and were (3.2  ±  0.4)  ×  10-16 cm3 s-1 and 0.10  ±  0.04, respectively. The obtained diffusion coefficient at 1 Torr was 177  ±  17 cm2 s-1, which is consistent with the value reported by Dixon and Grant. Moreover, the present results are compared with the results of Phelps and were found to be in good agreement. We also discuss the deexcitation rate of Ne(3P2) at pressures of up to 60 Torr in comparison with previously reported values.

  13. Using diffuse reflectance spectroscopy (DRS) for qualitative examination of iron minerals formed in a hydromorphic soil

    Science.gov (United States)

    Ringer, Marianna; Kiss, Klaudia; Németh, Tibor; Sipos, Péter; Szalai, Zoltán

    2016-04-01

    The method of diffuse reflectance spectroscopy (DRS) allows a large number of measurements in a rapid, non-destructive mode and does not require complex sample preparation. Based on the recorded wavelength-reflectance spectra, the simultaneous investigation of various soil parameters such as colour, mineral composition, organic matter and moisture content is possible. Several publications have presented results of the qualitative and quantitative analysis of iron-oxides containing trivalent iron (primarily hematite, goethite) by DRS. These iron minerals are usually formed in soils and sediments under surface conditions. Nevertheless in the case of hydromorhic soils water saturation can result iron mineral formation in the absence of oxygen. However, the related soil forming process leads to the appearance of ferrous iron-hydroxides (green rust) in the soil profile, in the literature no reference was found discussing the investigation of samples from reduced soil conditions by DRS method. Our aim was to reveal if DRS is suitable to perform qualitative characterization of both ferrous and ferric iron-oxide and hydroxide minerals of waterlogged soils. In the present study samples from a sandy meadow soil (calcic, gleyic Phaeozem ferric, arenic) profile were examined in the laboratory using an UV-Vis-NIR spectrophotometer with a diffuse reflectance attachement. Pedogenic iron minerals were characterized through spectral transformations and by comparison with spectrum database and literature data. The results were compared with data obtained from widely used routine methods. X-ray powder diffraction (XRD) for the determination of mineral composition, X-ray fluorescence spectroscopy (XRF) for total iron content and selective chemical dissolution (SCD) for the amorphous and crystalline iron content were presented. Although iron oxide minerals are usually at low concentrations (approx. 0,1%) or present in a poorly crystalline form, our results show that the presence of

  14. Measurement of refractive index of biaxial potassium titanyl phosphate crystal plate using reflection spectroscopic ellipsometry technique

    Indian Academy of Sciences (India)

    A K Chaudhary; A Molla; A Asfaw

    2009-10-01

    The paper reports the measurement of refractive indices and anisotropic absorption coefficients of biaxial potassium titanyl phosphate (KTP) crystal in the form of thin plate using reflection ellipsometry technique. This experiment is designed in the Graduate Optics Laboratory of the Addis Ababa University and He–Ne laser ( = 632.8 nm), diode laser ( = 670.0 nm) and temperature-tuned diode laser ( = 804.4 and 808.4 nm), respectively have been employed as source. The experimental data for , are fitted to the Marquardt–Levenberg theoretical model of curve fitting. The obtained experimental data of refractive indices are compared with different existing theoretical and experimental values of KTP crystals and found to be in good agreement with them.

  15. Nondestructive inspection of organic films on sandblasted metals using diffuse reflectance infrared spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Powell, G.L. [Oak Ridge Y-12 Plant, TN (United States); Cox, R.L. [Oak Ridge National Lab., TN (United States); Barber, T.E. [Sam Houston State Univ., Huntsville, TX (United States); Neu, J.T. [Surface Optics Corp., San Diego, CA (United States)

    1996-07-08

    Diffuse reflectance infrared spectroscopy is a very useful tool for the determination of surface contamination and characterization of films in manufacturing applications. Spectral data from the surfaces of a host of practical materials may be obtained with sufficient insensitivity to characterize relatively thick films, such as paint, and the potential exists to detect very thin films, such as trace oil contamination on metals. The SOC 400 Surface Inspection Machine/InfraRed (SIMIR) has been developed as a nondestructive inspection tool to exploit this potential in practical situations. This SIMIR is a complete and ruggidized Fourier transform infrared spectrometer with a very efficient and robust barrel ellipse diffuse reflectance optical collection system and operating software system. The SIMIR weighs less than 8 Kg, occupies less than 14 L volume, and may be manipulated into any orientation during operation. The surface to be inspected is placed at the focal point of the SIMIR by manipulating the SIMIR or the surface. The SIMIR may or may not contact the surface being inspected. For flat or convex items, there are no size limits to items being inspected. For concave surfaces, the SIMIR geometry limits the surface to those having a radius of curvature greater than 0.2 m. For highly reflective metal surfaces, the SIMIR has a noise level approaching 1 {times} 10{sup {minus}4} absorbance units, which is sufficient for detecting nanometer thick organic film residues on metals. The use of this nondestructive inspection tool is demonstrated by the spatial mapping of organic stains on sand blasted metals in which organic stains such as silicone oils, mineral oils, and triglycerides are identified both qualitatively and quantitatively over the surface of the metal specimen.

  16. Multivariate modelling of prostate cancer combining magnetic resonance derived T2, diffusion, dynamic contrast-enhanced and spectroscopic parameters

    Energy Technology Data Exchange (ETDEWEB)

    Riches, S.F.; Payne, G.S.; Morgan, V.A.; DeSouza, N.M. [Royal Marsden NHS Foundation Trust and Institute of Cancer Research, CRUK and EPSRC Cancer Imaging Centre, Sutton, Surrey (United Kingdom); Dearnaley, D. [Royal Marsden NHS Foundation Trust and Institute of Cancer Research, Department of Urology and Department of Academic Radiotherapy, Sutton, Surrey (United Kingdom); Morgan, S. [The Ottawa Hospital Cancer Centre and the University of Ottawa, Division of Radiation Oncology, Ottawa, Ontario (Canada); Partridge, M. [The Institute of Cancer Research, Section of Radiotherapy and Imaging, Sutton, Surrey (United Kingdom); University of Oxford, The Gray Institute for Radiation Oncology and Biology, Oxford (United Kingdom); Livni, N. [Royal Marsden NHS Foundation Trust Chelsea, Department of Histopathology, London (United Kingdom); Ogden, C. [Royal Marsden NHS Foundation Trust Chelsea, Department of Urology, London (United Kingdom)

    2015-05-01

    The objectives are determine the optimal combination of MR parameters for discriminating tumour within the prostate using linear discriminant analysis (LDA) and to compare model accuracy with that of an experienced radiologist. Multiparameter MRIs in 24 patients before prostatectomy were acquired. Tumour outlines from whole-mount histology, T{sub 2}-defined peripheral zone (PZ), and central gland (CG) were superimposed onto slice-matched parametric maps. T{sub 2,} Apparent Diffusion Coefficient, initial area under the gadolinium curve, vascular parameters (K{sup trans},K{sub ep},V{sub e}), and (choline+polyamines+creatine)/citrate were compared between tumour and non-tumour tissues. Receiver operating characteristic (ROC) curves determined sensitivity and specificity at spectroscopic voxel resolution and per lesion, and LDA determined the optimal multiparametric model for identifying tumours. Accuracy was compared with an expert observer. Tumours were significantly different from PZ and CG for all parameters (all p < 0.001). Area under the ROC curve for discriminating tumour from non-tumour was significantly greater (p < 0.001) for the multiparametric model than for individual parameters; at 90 % specificity, sensitivity was 41 % (MRSI voxel resolution) and 59 % per lesion. At this specificity, an expert observer achieved 28 % and 49 % sensitivity, respectively. The model was more accurate when parameters from all techniques were included and performed better than an expert observer evaluating these data. (orig.)

  17. Spectroscopic Confirmation of the Existence of Large, Diffuse Galaxies in the Coma Cluster

    CERN Document Server

    van Dokkum, Pieter; Abraham, Roberto; Brodie, Jean; Conroy, Charlie; Geha, Marla; Merritt, Allison; Villaume, Alexa; Zhang, Jielai

    2015-01-01

    We recently identified a population of low surface brightness objects in the field of the z=0.023 Coma cluster, using the Dragonfly Telephoto Array. Here we present Keck spectroscopy of one of the largest of these "ultra-diffuse galaxies" (UDGs), confirming that it is a member of the cluster. The galaxy has prominent absorption features, including the Ca II H+K lines and the G-band, and no detected emission lines. Its radial velocity of cz=6280 +- 120 km/s is within the 1 sigma velocity dispersion of the Coma cluster. The galaxy has an effective radius of 4.3 +- 0.3 kpc and a Sersic index of 0.89 +- 0.06, as measured from Keck imaging. We find no indications of tidal tails or other distortions, at least out to a radius of ~2 r_e. We show that UDGs are located in a previously sparsely populated region of the size - magnitude plane of quiescent stellar systems, as they are ~6 magnitudes fainter than normal early-type galaxies of the same size. It appears that the luminosity distribution of large quiescent galax...

  18. Utilizing Diffuse Reflection to Increase the Efficiency of Luminescent Solar Concentrators

    Science.gov (United States)

    Bowser, Seth; Weible, Seth; Solomon, Joel; Schrecengost, Jonathan; Wittmershaus, Bruce

    A luminescent solar concentrator (LSC) consists of a high index solid plate containing a fluorescent material that converts sunlight into fluorescence. Utilizing total internal reflection, the LSC collects and concentrates the fluorescence at the plate's edges where it is converted into electricity via photovoltaic solar cells. The lower production costs of LSCs make them an attractive alternative to photovoltaic solar cells. To optimize an LSC's efficiency, a white diffusive surface (background) is positioned behind it. The background allows sunlight transmitted in the first pass to be reflected back through the LSC providing a second chance for absorption. Our research examines how the LSC's performance is affected by changing the distance between the white background and the LSC. An automated linear motion apparatus was engineered to precisely measure this distance and the LSC's electrical current, simultaneously. LSC plates, with and without the presence of fluorescent material and in an isolated environment, showed a maximum current at a distance greater than zero. Further experimentation has proved that the optimal distance results from the background's optical properties and how the reflected light enters the LSC. This material is based upon work supported by the National Science Foundation under Grant Number NSF-ECCS-1306157.

  19. Method to improve the performance of reflectance diffuse optical imaging based on polygonal optical fibers arrangement

    Institute of Scientific and Technical Information of China (English)

    Weitao Li; Zhiyu Qian; Ting Li

    2009-01-01

    In order to improve the performance of reflectance diffuse optical imaging(rDOI),a novel polynomial geometry(PG)of optical fibers arrangement is proposed.Polynomial geometry is based on the hexagonal geometry(HG)and multicentered double-density(MD)mode.The overlapping sensitivity matrix,area ratio(AR),reconstruction image,two-absorber model,arid contrast-to-noise ratio(CNR)in different depths are used to evaluate the performance of PG.The other three geometries including HG,rectangular geometry(RG),and MD mode are also compared with PG.The deformation of the reconstruction images is evaluted by circular ratio(CR).The results prove that the proposed PG has high performance and minimum deformation in quality of reconstruction image in rDOI.

  20. Experiment of Diffuse Reflection Laser Ranging to Space Debris and Data Analysis

    CERN Document Server

    Sun, Hao; Zhang, ZhongPing; Wu, Bin

    2014-01-01

    Space debris has been posing a serious threat to human space activities and is needed to be measured and cataloged. As a new technology of space target surveillance, the measurement accuracy of DRLR (Diffuse Reflection Laser Ranging) is much higher than that of microwave radar and electro-optical measurement. Based on laser ranging data of space debris from DRLR system collected at SHAO (Shanghai Astronomical Observatory) in March-April 2013, the characteristics and precision of the laser ranging data are analyzed and its applications in OD (Orbit Determination) of space debris are discussed in this paper, which is implemented for the first time in China. The experiment indicates that the precision of laser ranging data can reach 39cm-228cm. When the data is sufficient enough (4 arcs of 3 days), the orbit accuracy of space debris can be up to 50m.

  1. Polyimide analysis using diffuse reflectance-FTIR. [Fourier Transform IR Spectroscopy

    Science.gov (United States)

    Young, P. R.; Chang, A. C.

    1985-01-01

    The thermal imidization of a number of polyimide precursors in the form of powders, films, and prepregs was examined by an in situ diffuse reflectance-FTIR technique where infrared spectra were determined while the material was being heated. An analysis of these spectra revealed that, with the exception of one water soluble adhesive, each precursor developed an anhydride band around 1850 cm/cu during imidization. This band diminished in intensity during final stages of cure. Efforts were made to quantify the amount of anhydride in several samples. Evidence obtained could be interpreted to mean that poly(amic acid) resins undergo an initial reduction in molecular weight during imidization before recombining to achieve their ultimate molecular weights as polyimides. Several reports in the literature are cited to support this interpretation. This report serves both to document anhydride formation during imidization and to increase our fundamental understanding of how polyimides cure.

  2. Determination of optimal source-detector separation in measuring chromophores in layered tissue with diffuse reflectance

    Institute of Scientific and Technical Information of China (English)

    Yunhan Luo; Houxin Cui; Xiaoyu Gu; Rong Liu; Kexin Xu

    2005-01-01

    Based on analysis of the relation between mean penetration depth and source-detector separation in a threelayer model with the method of Monte-Carlo simulation, an optimal source-detector separation is derived from the mean penetration depth referring to monitoring the change of chromophores concentration of the sandwiched layer. In order to verify the separation, we perform Monte-Carlo simulations with varied absorption coefficient of the sandwiched layer. All these diffuse reflectances are used to construct a calibration model with the method of partial least square (PLS). High correlation coefficients and low root mean square error of prediction (RMSEP) at the optimal separation have confirmed correctness of the selection. This technique is expected to show light on noninvasive diagnosis of near-infrared spectroscopy.

  3. Diffuse reflectance imaging for non-melanoma skin cancer detection using laser feedback interferometry

    Science.gov (United States)

    Mowla, Alireza; Taimre, Thomas; Lim, Yah L.; Bertling, Karl; Wilson, Stephen J.; Prow, Tarl W.; Soyer, H. P.; Rakić, Aleksandar D.

    2016-04-01

    We propose a compact, self-aligned, low-cost, and versatile infrared diffuse-reflectance laser imaging system using a laser feedback interferometry technique with possible applications in in vivo biological tissue imaging and skin cancer detection. We examine the proposed technique experimentally using a three-layer agar skin phantom. A cylindrical region with a scattering rate lower than that of the surrounding normal tissue was used as a model for a non-melanoma skin tumour. The same structure was implemented in a Monte Carlo computational model. The experimental results agree well with the Monte Carlo simulations validating the theoretical basis of the technique. Results prove the applicability of the proposed technique for biological tissue imaging, with the capability of depth sectioning and a penetration depth of well over 1.2 mm into the skin phantom.

  4. Experimental estimation of the photons visiting probability profiles in time-resolved diffuse reflectance measurement.

    Science.gov (United States)

    Sawosz, P; Kacprzak, M; Weigl, W; Borowska-Solonynko, A; Krajewski, P; Zolek, N; Ciszek, B; Maniewski, R; Liebert, A

    2012-12-07

    A time-gated intensified CCD camera was applied for time-resolved imaging of light penetrating in an optically turbid medium. Spatial distributions of light penetration probability in the plane perpendicular to the axes of the source and the detector were determined at different source positions. Furthermore, visiting probability profiles of diffuse reflectance measurement were obtained by the convolution of the light penetration distributions recorded at different source positions. Experiments were carried out on homogeneous phantoms, more realistic two-layered tissue phantoms based on the human skull filled with Intralipid-ink solution and on cadavers. It was noted that the photons visiting probability profiles depend strongly on the source-detector separation, the delay between the laser pulse and the photons collection window and the complex tissue composition of the human head.

  5. A partial reconstruction scheme for continuous wave diffuse optical tomography with reflection geometry.

    Science.gov (United States)

    Patra, Rusha; Dutta, Pranab K

    2015-01-01

    Image quality and photon measurement with good SNR (signal to noise ratio) in continuous wave diffuse optical tomography depend on the source detector density and sensitivity of photo detector. For large volume objects, it is difficult to obtain detectable light intensity with good SNR over the whole boundary. As an alternative, instead of the full boundary, the measurements are taken over a semi circle as in reflection geometry and a partial reconstruction scheme for the same is proposed in this paper. The cross-sectional optical parameters are reconstructed for different half of the sample with modified boundary conditions and finally the average of all the reconstructions are considered as the final reconstructed image. Simulation and experimental results have been illustrated to validate the proposed method. The main advantage of this scheme is to improve signal to noise ratio which controls the quality of reconstruction in actual phantoms. The use of continuous wave measurement makes the system cost effective as well.

  6. 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.

  7. [Pretreatment method of near-infrared diffuse reflection spectra used for sugar content prediction of pears].

    Science.gov (United States)

    Wang, Wei-Ming; Dong, Da-Ming; Zheng, Wen-Gang; Zhao, Xian-De; Jiao, Lei-Zi; Wang, Ming-Fei

    2013-02-01

    The content of sugar is an important quality index for pears. However, the traditional sugar measurement methods are time-consuming and destructive. In the present study, the authors measured the sugar content of pears using visible and near infrared diffuse reflection spectroscopy. The pretreatment methods of multiplicative scatter correction (MSC), baseline correction, standard normal variate (SNV) transformation, and moving average algorithms were used on the original absorbance spectrum. Results indicate that the absorbance spectra after pretreatment are better than the original absorbance spectra for prediction. Partial least squares (PLS) regression was also used on the original absorbance spectrum and the absorbance spectrum after moving average and baseline correction. It follows that the forecast accuracy of the absorbance spectra after moving average is higher than that of the original absorbance spectra. The models gave good predictions of the sugar content of pears, with corresponding r values of 0.990 8, and standard errors of predictions of 0.019 0.

  8. Diffuse reflection imaging of sub-epidermal tissue haematocrit using a simple RGB camera

    Science.gov (United States)

    Leahy, Martin J.; O'Doherty, Jim; McNamara, Paul; Henricson, Joakim; Nilsson, Gert E.; Anderson, Chris; Sjoberg, Folke

    2007-05-01

    This paper describes the design and evaluation of a novel easy to use, tissue viability imaging system (TiVi). The system is based on the methods of diffuse reflectance spectroscopy and polarization spectroscopy. The technique has been developed as an alternative to current imaging technology in the area of microcirculation imaging, most notably optical coherence tomography (OCT) and laser Doppler perfusion imaging (LDPI). The system is based on standard digital camera technology, and is sensitive to red blood cells (RBCs) in the microcirculation. Lack of clinical acceptance of both OCT and LDPI fuels the need for an objective, simple, reproducible and portable imaging method that can provide accurate measurements related to stimulus vasoactivity in the microvasculature. The limitations of these technologies are discussed in this paper. Uses of the Tissue Viability system include skin care products, drug development, and assessment spatial and temporal aspects of vasodilation (erythema) and vasoconstriction (blanching).

  9. Inexpensive diffuse reflectance spectroscopy system for measuring changes in tissue optical properties

    Science.gov (United States)

    Glennie, Diana L.; Hayward, Joseph E.; McKee, Daniel E.; Farrell, Thomas J.

    2014-10-01

    The measurement of changes in blood volume in tissue is important for monitoring the effects of a wide range of therapeutic interventions, from radiation therapy to skin-flap transplants. Many systems available for purchase are either expensive or difficult to use, limiting their utility in the clinical setting. A low-cost system, capable of measuring changes in tissue blood volume via diffuse reflectance spectroscopy is presented. The system consists of an integrating sphere coupled via optical fibers to a broadband light source and a spectrometer. Validation data are presented to illustrate the accuracy and reproducibility of the system. The validity and utility of this in vivo system were demonstrated in a skin blanching/reddening experiment using epinephrine and lidocaine, and in a study measuring the severity of radiation-induced erythema during radiation therapy.

  10. NIR Monitoring of Ammonia in Anaerobic Digesters Using a Diffuse Reflectance Probe

    Directory of Open Access Journals (Sweden)

    Alastair J. Ward

    2012-02-01

    Full Text Available The feasibility of using a diffuse reflectance probe attached to a near infrared spectrometer to monitor the total ammonia nitrogen (TAN content in an anaerobic digester run on cattle manure was investigated; as a previous study has indicated that this probe can be easily attached to an anaerobic digester. Multivariate modelling techniques such as partial least squares regression and interval partial least squares methods were used to build models. Various data pre-treatments were applied to improve the models. The TAN concentrations measured were in the range of 1.5 to 5.5 g/L. An R2 of 0.91 with an RMSEP of 0.32 was obtained implying that the probe could be used for monitoring and screening purposes.

  11. Diffuse Reflectance Infrared Fourier Transform Spectroscopy for the Determination of Asbestos Species in Bulk Building Materials

    Directory of Open Access Journals (Sweden)

    Grazia Accardo

    2014-01-01

    Full Text Available Diffuse reflectance infrared Fourier transform (DRIFT spectroscopy is a well-known technique for thin film characterization. Since all asbestos species exhibit intense adsorptions peaks in the 4000–400 cm−1 region of the infrared spectrum, a quantitative analysis of asbestos in bulk samples by DRIFT is possible. In this work, different quantitative analytical procedures have been used to quantify chrysotile content in bulk materials produced by building requalification: partial least squares (PLS chemometrics, the Linear Calibration Curve Method (LCM and the Method of Additions (MoA. Each method has its own pros and cons, but all give affordable results for material characterization: the amount of asbestos (around 10%, weight by weight can be determined with precision and accuracy (errors less than 0.1.

  12. Band-gap determination from diffuse reflectance measurements of semiconductor films, and application to photoelectrochemical water-splitting

    Energy Technology Data Exchange (ETDEWEB)

    Murphy, A.B. [CSIRO Industrial Physics, P.O. Box 218, Lindfield, NSW 2070 (Australia); CSIRO Energy Transformed National Research Flagship, PO Box 330, Newcastle, NSW 2300 (Australia)

    2007-09-06

    Measurements of the diffuse reflectance of TiO{sub 2} semiconductor coatings, such as are used for water splitting, are analysed using the Kubelka-Munk radiative transfer model. The widely used practice of determining the band gap of the coating directly from the diffuse reflectance is found to be inaccurate, since the diffuse reflectance depends on parameters such as the thickness, refractive index and surface roughness of the coating. However, it is shown that the absorption coefficient can be derived from the diffuse reflectance using an inversion method; the band gap can then be obtained from the absorption coefficient. Finally, the diffuse reflectance of carbon-doped TiO{sub 2} presented by Khan et al. [Science 297 (2002) 2243-2245] is analysed; it is found that while the band-gap wavelength is extended into the visible region, it is overestimated. Moreover, light at visible wavelengths is only very weakly absorbed, and is expected to make only a minor contribution to the water-splitting efficiency. (author)

  13. A portable device for detecting fruit quality by diffuse reflectance Vis/NIR spectroscopy

    Science.gov (United States)

    Sun, Hongwei; Peng, Yankun; Li, Peng; Wang, Wenxiu

    2017-05-01

    Soluble solid content (SSC) is a major quality parameter to fruit, which has influence on its flavor or texture. Some researches on the on-line non-invasion detection of fruit quality were published. However, consumers desire portable devices currently. This study aimed to develop a portable device for accurate, real-time and nondestructive determination of quality factors of fruit based on diffuse reflectance Vis/NIR spectroscopy (520-950 nm). The hardware of the device consisted of four units: light source unit, spectral acquisition unit, central processing unit, display unit. Halogen lamp was chosen as light source. When working, its hand-held probe was in contact with the surface of fruit samples thus forming dark environment to shield the interferential light outside. Diffuse reflectance light was collected and measured by spectrometer (USB4000). ARM (Advanced RISC Machines), as central processing unit, controlled all parts in device and analyzed spectral data. Liquid Crystal Display (LCD) touch screen was used to interface with users. To validate its reliability and stability, 63 apples were tested in experiment, 47 of which were chosen as calibration set, while others as prediction set. Their SSC reference values were measured by refractometer. At the same time, samples' spectral data acquired by portable device were processed by standard normalized variables (SNV) and Savitzky-Golay filter (S-G) to eliminate the spectra noise. Then partial least squares regression (PLSR) was applied to build prediction models, and the best predictions results was achieved with correlation coefficient (r) of 0.855 and standard error of 0.6033° Brix. The results demonstrated that this device was feasible to quantitatively analyze soluble solid content of apple.

  14. 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.

  15. Detection of cervical lesions by multivariate analysis of diffuse reflectance spectra: a clinical study.

    Science.gov (United States)

    Prabitha, Vasumathi Gopala; Suchetha, Sambasivan; Jayanthi, Jayaraj Lalitha; Baiju, Kamalasanan Vijayakumary; Rema, Prabhakaran; Anuraj, Koyippurath; Mathews, Anita; Sebastian, Paul; Subhash, Narayanan

    2016-01-01

    Diffuse reflectance (DR) spectroscopy is a non-invasive, real-time, and cost-effective tool for early detection of malignant changes in squamous epithelial tissues. The present study aims to evaluate the diagnostic power of diffuse reflectance spectroscopy for non-invasive discrimination of cervical lesions in vivo. A clinical trial was carried out on 48 sites in 34 patients by recording DR spectra using a point-monitoring device with white light illumination. The acquired data were analyzed and classified using multivariate statistical analysis based on principal component analysis (PCA) and linear discriminant analysis (LDA). Diagnostic accuracies were validated using random number generators. The receiver operating characteristic (ROC) curves were plotted for evaluating the discriminating power of the proposed statistical technique. An algorithm was developed and used to classify non-diseased (normal) from diseased sites (abnormal) with a sensitivity of 72 % and specificity of 87 %. While low-grade squamous intraepithelial lesion (LSIL) could be discriminated from normal with a sensitivity of 56 % and specificity of 80 %, and high-grade squamous intraepithelial lesion (HSIL) from normal with a sensitivity of 89 % and specificity of 97 %, LSIL could be discriminated from HSIL with 100 % sensitivity and specificity. The areas under the ROC curves were 0.993 (95 % confidence interval (CI) 0.0 to 1) and 1 (95 % CI 1) for the discrimination of HSIL from normal and HSIL from LSIL, respectively. The results of the study show that DR spectroscopy could be used along with multivariate analytical techniques as a non-invasive technique to monitor cervical disease status in real time.

  16. Development of time-resolved reflectance diffuse optical tomography for breast cancer monitoring

    Science.gov (United States)

    Yoshimoto, Kenji; Ohmae, Etsuko; Yamashita, Daisuke; Suzuki, Hiroaki; Homma, Shu; Mimura, Tetsuya; Wada, Hiroko; Suzuki, Toshihiko; Yoshizawa, Nobuko; Nasu, Hatsuko; Ogura, Hiroyuki; Sakahara, Harumi; Yamashita, Yutaka; Ueda, Yukio

    2017-02-01

    We developed a time-resolved reflectance diffuse optical tomography (RDOT) system to measure tumor responses to chemotherapy in breast cancer patients at the bedside. This system irradiates the breast with a three-wavelength pulsed laser (760, 800, and 830 nm) through a source fiber specified by an optical switch. The light collected by detector fibers is guided to a detector unit consisting of variable attenuators and photomultiplier tubes. Thirteen irradiation and 12 detection points were set to a measurement area of 50 × 50 mm for a hand-held probe. The data acquisition time required to obtain the temporal profiles within the measurement area is about 2 minutes. The RDOT system generates topographic and tomographic images of tissue properties such as hemoglobin concentration and tissue oxygen saturation using two imaging methods. Topographic images are obtained from the optical properties determined for each source-detector pair using a curve-fitting method based on the photon diffusion theory, while tomographic images are reconstructed using an iterative image reconstruction method. In an experiment using a tissue-like solid phantom, a tumor-like cylindrical target (15 mm diameter, 15 mm high) embedded in a breast tissue-like background medium was successfully reconstructed. Preliminary clinical measurements indicated that the tumor in a breast cancer patient was detected as a region of high hemoglobin concentration. In addition, the total hemoglobin concentration decreased during chemotherapy. These results demonstrate the potential of RDOT for evaluating the effectiveness of chemotherapy in patients with breast cancer.

  17. 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.

  18. Diffuse near-infrared reflectance spectroscopy during heatstroke in a mouse model: pilot study

    Science.gov (United States)

    Abookasis, David; Zafrir, Elad; Nesher, Elimelech; Pinhasov, Albert; Sternklar, Shmuel; Mathews, Marlon S.

    2012-10-01

    Heatstroke, a form of hyperthermia, is a life-threatening condition characterized by an elevated core body temperature that rises above 40°C (104°F) and central nervous system dysfunction that results in delirium, convulsions, or coma. Without emergency treatment, the victim lapses into a coma and death soon follows. The study presented was conducted with a diffuse reflectance spectroscopy (DRS) setup to assess the effects of brain dysfunction that occurred during heatstroke in mice model (n=6). It was hypothesized that DRS can be utilized in small animal studies to monitor change in internal brain tissue temperature during heatstroke injury since it induces a sequence of pathologic changes that change the tissue composition and structure. Heatstroke was induced by exposure of the mice body under general anesthesia, to a high ambient temperature. A type of DRS in which the brain tissue was illuminated through the intact scalp with a broadband light source and diffuse reflected spectra was employed, taking in the spectral region between 650 and 1000 nm and acquired at an angle of 90 deg at a position on the scalp ˜12 mm from the illumination site. The temperature at the onset of the experiment was ˜34°C (rectal temperature) with increasing intervals of 1°C until mouse death. The increase in temperature caused optical scattering signal changes consistent with a structural alteration of brain tissue, ultimately resulting in death. We have found that the peak absorbance intensity and its second derivative at specific wavelengths correlate well with temperature with an exponential dependence. Based on these findings, in order to estimate the influence of temperature on the internal brain tissue a reflectance-temperature index was established and was seen to correlate as well with measured temperature. Overall, results indicate variations in neural tissue properties during heatstroke and the feasibility to monitor and assess internal temperature variations using

  19. Clinical system model for monitoring the physiological status of jaundice by extracting bilirubin components from skin diffuse reflectance spectra

    Science.gov (United States)

    Kumar, Alla S.; Clark, Joseph; Beyette, Fred R., Jr.

    2009-02-01

    Neonatal jaundice is a medical condition which occurs in newborns as a result of an imbalance between the production and elimination of bilirubin. The excess bilirubin in the blood stream diffuses into the surrounding tissue leading to a yellowing of the skin. As the bilirubin levels rise in the blood stream, there is a continuous exchange between the extra vascular bilirubin and bilirubin in the blood stream. Exposure to phototherapy alters the concentration of bilirubin in the vascular and extra vascular regions by causing bilirubin in the skin layers to be broken down. Thus, the relative concentration of extra vascular bilirubin is reduced leading to a diffusion of bilirubin out of the vascular region. Diffuse reflectance spectra from human skin contains physiological and structural information of the skin and nearby tissue. A diffuse reflectance spectrum must be captured before and after blanching in order to isolate the intravascular and extra vascular bilirubin. A new mathematical model is proposed with extra vascular bilirubin concentration taken into consideration along with other optical parameters in defining the diffuse reflectance spectrum from human skin. A nonlinear optimization algorithm has been adopted to extract the optical properties (including bilirubin concentration) from the skin reflectance spectrum. The new system model and nonlinear algorithm have been combined to enable extraction of Bilirubin concentrations within an average error of 10%.

  20. Spectroscopic analyses of subluminous B stars: observational constraints for the theory of stellar evolution, pulsation, and diffusion

    Science.gov (United States)

    Edelmann, Heinz

    2003-06-01

    This thesis deals with quantitative spectroscopic analyses of large samples of subluminous B stars in order to find constraints the theory of stellar evolution, pulsation, and diffusion. Subluminous B stars, also known as subdwarf B (sdB) stars, are very important in several respects: They dominate the population of faint blue stars in high galactic latitudes, and are found both in the field and in globular clusters. Therefore, sdB stars are important to understand the structure and evolution of our galaxy. From the cosmological point of view, they are candidate progenitors of supernovae of type Ia due to their membership in close binary systems. In the context of stellar astrophysics, subdwarf B stars play an important role because several of them are discovered to show non-radial pulsations, which allows to probe their interior by asteroseismology. Last but not least, sdB stars show very peculiar element abundance patterns, probably caused by diffusion processes. Subluminous B stars are generally considered to be core helium-burning stars with extremely thin hydrogen envelopes (clarified. Recently, several sdB stars have been found to show non-radial pulsations. We initiated a collaboration with two groups in Norway and Italy in 1999 to search for pulsating sdB stars in our sample. About one pulsator within ten observed sdB stars were found. With this discovery we enhanced the number of known pulsating sdB stars by about 50%. The surface metal abundance patterns of 16 sdB stars have been determined from high resolution, high S/N, optical spectra using equivalent widths measurements. This analysis almost quadruples the number of detailed metal abundance analyses of sdB stars. As typical for early B type stars, the metal lines are few and very weak. Three peculiar sdB stars have been found which show in addition to the absorption lines common in sdB stars many lines due to iron group elements (calcium, scandium, titanium, vanadium, manganese, and nickel) which have

  1. Light-induced autofluorescence and diffuse reflectance spectroscopy in clinical diagnosis of skin cancer

    Science.gov (United States)

    Borisova, E.; Pavlova, E.; Kundurjiev, T.; Troyanova, P.; Genova, Ts.; Avramov, L.

    2014-05-01

    We investigated more than 500 clinical cases to receive the spectral properties of basal cell (136 patients) and squamous cell carcinoma (28), malignant melanoma (41) and different cutaneous dysplastic and benign cutaneous lesions. Excitation at 365, 385 and 405 nm using LEDs sources is applied to obtain autofluorescence spectra, and broad-band illumination in the region of 400-900 nm is used to detect diffuse reflectance spectra of all pathologies investigated. USB4000 microspectrometer (Ocean Optics Inc, USA) is applied as a detector and fiber-optic probe is used for delivery of the light. In the case of in vivo tumor measurements spectral shape and intensity changes are observed that are specific for a given type of lesion. Autofluorescence origins of the signals coming from skin tissues are mainly due to proteins, such as collagen, elastin, keratin, their cross-links, co-enzimes - NADH and flavins and endogenous porphyrins. Spectral features significant into diffuse spectroscopy diagnosis are related to the effects of re-absorption of hemoglobin and its forms, as well as melanin and its concentration in different pathologies. We developed significant database and revealed specific features for a large class of cutaneous neoplasia, using about 30 different spectral peculiarities to differentiate cutaneous tumors. Sensitivity and specificity obtained exceed 90%, which make optical biopsy very useful tool for clinical practice. These results are obtained in the frames of clinical investigations for development of significant "spectral features" database for the most common cutaneous malignant, dysplastic and benign lesions. In the forthcoming plans, our group tries to optimize the existing experimental system for optical biopsy of skin, and to introduce it and the diagnostic algorithms developed into clinical practice, based on the high diagnostic accuracy achieved.

  2. Reflection thermal diffuse x-ray scattering for quantitative determination of phonon dispersion relations

    Science.gov (United States)

    Mei, A. B.; Hellman, O.; Schlepütz, C. M.; Rockett, A.; Chiang, T.-C.; Hultman, L.; Petrov, I.; Greene, J. E.

    2015-11-01

    Synchrotron reflection x-ray thermal diffuse scattering (TDS) measurements, rather than previously reported transmission TDS, are carried out at room temperature and analyzed using a formalism based upon second-order interatomic force constants and long-range Coulomb interactions to obtain quantitative determinations of MgO phonon dispersion relations ℏ ωj (q), phonon densities of states g (ℏ ω ), and isochoric temperature-dependent vibrational heat capacities cv(T ) . We use MgO as a model system for investigating reflection TDS due to its harmonic behavior as well as its mechanical and dynamic stability. Resulting phonon dispersion relations and densities of states are found to be in good agreement with independent reports from inelastic neutron and x-ray scattering experiments. Temperature-dependent isochoric heat capacities cv(T ) , computed within the harmonic approximation from ℏ ωj (q) values, increase with temperature from 0.4 ×10-4eV /atom K at 100 K to 1.4 ×10-4eV /atom K at 200 K and 1.9 ×10-4eV /atom K at 300 K, in excellent agreement with isobaric heat capacity values cp(T ) between 4 and 300 K. We anticipate that the experimental approach developed here will be valuable for determining vibrational properties of heteroepitaxial thin films since the use of grazing-incidence (θ ≲θc , where θc is the density-dependent critical angle) allows selective tuning of x-ray penetration depths to ≲10 nm .

  3. 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

  4. Characterization of Al2O3-Supported Manganese Oxides by Electron Spin Resonance and Diffuse Reflectance Spectroscopy

    NARCIS (Netherlands)

    Kijlstra, W.S.; Poels, E.K.; Bliek, A.; Weckhuysen, B.M.; Schoonheydt, R.A.

    1996-01-01

    Alumina-supported manganese oxides, used as catalysts for the selective catalytic reduction of NO, were characterized by combined electron spin resonance and diffuse reflectance spectroscopies. Upon impregnation of the acetate precursor solution, the [Mn(H2O)6]^2+ complex interacts strongly with

  5. Characterization of Al2O3-Supported Manganese Oxides by Electron Spin Resonance and Diffuse Reflectance Spectroscopy

    NARCIS (Netherlands)

    Kijlstra, W.S.; Poels, E.K.; Bliek, A.; Weckhuysen, B.M.; Schoonheydt, R.A.

    2001-01-01

    Alumina-supported manganese oxides, used as catalysts for the selective catalytic reduction of NO, were characterized by combined electron spin resonance and diffuse reflectance spectroscopies. Upon impregnation of the acetate precursor solution, the [Mn(H2O)6]^2+ complex interacts strongly with sur

  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. 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.

  8. Diffuse reflectance spectroscopy of neptunium ions in polycrystalline ceramics designed for immobilization of HLW

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Yingjie [Australian Nuclear Science and Technology Organisation, PMB 1, Menai, NSW 2234 (Australia)], E-mail: yzx@ansto.gov.au; Vance, Eric R.; Begg, Bruce D.; Li Huijun [Australian Nuclear Science and Technology Organisation, PMB 1, Menai, NSW 2234 (Australia)

    2007-10-11

    Diffuse reflectance spectra at room temperature have been collected on polycrystalline perovskite (CaTiO{sub 3}), zirconolite (CaZrTi{sub 2}O{sub 7}) and thorutite (ThTi{sub 2}O{sub 6}) samples doped with Np. The Np species give rise to a number of broad, unresolved intraconfigurational f-f electronic transition bands in the near-infrared and visible spectral regions. Both Np{sup 3+} and Np{sup 4+} can substitute in the Ca site of perovskite by the appropriate choice of charge compensation and sintering atmosphere. No detectable spectral differences were observed when Np{sup 4+} was targeted towards either the Ca or Zr sites in zirconolite. Np{sup 4+} but not Np{sup 5+} can be incorporated in the Th site of thorutite by sintering in air. Even in the most dilute [{<=} 0.03 formula units (f.u.)] Np{sup 4+} samples of the different titanates studied, there was only very approximate agreement with the Kubelka-Munk law.

  9. A wearable diffuse reflectance sensor for continuous monitoring of cutaneous blood content

    Energy Technology Data Exchange (ETDEWEB)

    Zakharov, P; Talary, M S; Caduff, A [Solianis Monitoring AG, Leutschenbachstrasse 46, CH-8050 Zuerich (Switzerland)], E-mail: andreas.caduff@solianis.com

    2009-09-07

    An optical diffuse reflectance sensor for characterization of cutaneous blood content and optimized for continuous monitoring has been developed as part of a non-invasive multisensor system for glucose monitoring. A Monte Carlo simulation of the light propagation in the multilayered skin model has been performed in order to estimate the optimal geometrical separation of the light source and detector for skin and underlying tissue. We have observed that the pathlength within the upper vascular plexus of the skin which defines the sensor sensitivity initially grows with increasing source-detector distance (SDD) before reaching a maximum at 3.5 mm and starts to decay with further increase. At the same time, for distances above 2.4 mm, the sensor becomes sensitive to muscle blood content, which decreases the specificity to skin perfusion monitoring. Thus, the SDDs in the range from 1.5 mm to 2.4 mm satisfy the requirements of sensor sensitivity and specificity. The hardware implementation of the system has been realized and tested in laboratory experiments with a venous occlusion procedure and in an outpatient clinical study in 16 patients with type 1 diabetes mellitus. For both testing procedures, the optical sensor demonstrated high sensitivity to perfusion change provoking events. The general build-up of cutaneous blood under the sensor has been observed which can be associated with pressure-induced vasodilation as a response to the sensor application.

  10. Detection of canine skin and subcutaneous tumors by visible and near-infrared diffuse reflectance spectroscopy

    Science.gov (United States)

    Cugmas, Blaž; Plavec, Tanja; Bregar, Maksimilijan; Naglič, Peter; Pernuš, Franjo; Likar, Boštjan; Bürmen, Miran

    2015-03-01

    Cancer is the main cause of canine morbidity and mortality. The existing evaluation of tumors requires an experienced veterinarian and usually includes invasive procedures (e.g., fine-needle aspiration) that can be unpleasant for the dog and the owner. We investigate visible and near-infrared diffuse reflectance spectroscopy (DRS) as a noninvasive optical technique for evaluation and detection of canine skin and subcutaneous tumors ex vivo and in vivo. The optical properties of tumors and skin were calculated in a spectrally constrained manner, using a lookup table-based inverse model. The obtained optical properties were analyzed and compared among different tumor groups. The calculated parameters of the absorption and reduced scattering coefficients were subsequently used for detection of malignant skin and subcutaneous tumors. The detection sensitivity and specificity of malignant tumors ex vivo were 90.0% and 73.5%, respectively, while corresponding detection sensitivity and specificity of malignant tumors in vivo were 88.4% and 54.6%, respectively. The obtained results show that the DRS is a promising noninvasive optical technique for detection and classification of malignant and benign canine skin and subcutaneous tumors. The method should be further investigated on tumors with common origin.

  11. In vivo inflammation mapping of periodontal disease based on diffuse reflectance spectral imaging: a clinical study

    Science.gov (United States)

    Prasanth, Chandra Sekhar; Betsy, Joseph; Jayanthi, Jayaraj L.; Nisha, Unni G.; Prasantila, Janam; Subhash, Narayanan

    2013-02-01

    Since conventional techniques using periodontal probes have inherent drawbacks in the diagnosis of different grades of gingival inflammation, development of noninvasive screening devices becomes significant. Diffuse reflectance (DR) spectra recorded with white light illumination is utilized to detect periodontal inflammation from the oxygenated hemoglobin absorption ratio R620/R575. A multispectral imaging system is utilized to record narrow-band DR images at 575 and 620 nm from the anterior sextant of the gingivia of 15 healthy volunteers and 25 patients (N=40). An experienced periodontist assesses the level of gingival inflammation at each site through periodontal probing and assigns diagnosis as healthy, mild, moderate, or severe inflammation. The DR image ratio R620/R575 computed for each pixel (8-μm resolution) from the monochrome images is pseudo-color-mapped to identify gingival inflammation sites. The DR image ratio values at each site are compared with clinical diagnosis to estimate the specificity and sensitivity of the DR imaging technique in inflammation mapping. The high diagnostic accuracy is utilized to detect underlying inflammation in six patients with a previous history of periodontitis.

  12. 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.

  13. Monitoring real time polymorphic transformation of sulfanilamide by diffuse reflectance visible spectroscopy

    Directory of Open Access Journals (Sweden)

    Tracy O. Ehiwe

    2016-06-01

    Full Text Available This study investigated the development of a novel approach to surface characterization of drug polymorphism and the extension of the capabilities of this method to perform ‘real time’ in situ measurements. This was achieved using diffuse reflectance visible (DRV spectroscopy and dye deposition, using the pH sensitive dye, thymol blue (TB. Two polymorphs, SFN-β and SFN-γ, of the drug substance sulfanilamide (SFN were examined. The interaction of adsorbed dye with polymorphs showed different behavior, and thus reported different DRV spectra. Consideration of the acid/base properties of the morphological forms of the drug molecule provided a rationalization of the mechanism of differential coloration by indicator dyes. The kinetics of the polymorphic transformation of SFN polymorphs was monitored using treatment with TB dye and DRV spectroscopy. The thermally-induced transformation fitted a first-order solid-state kinetic model (R2=0.992, giving a rate constant of 2.43×10−2 s−1.

  14. Simultaneous Determination of Amiloride and Hydrochlorothiazide in a Compound Tablet by Diffuse Reflectance Spectroscopy and Chemometrics

    Science.gov (United States)

    Tang, J.; Li, X.; Feng, Y.; Liang, B.

    2016-09-01

    This paper studies the simultaneous determination of amiloride hydrochloride (AMH) and hydrochlorothiazide (HCTZ) in amiloride hydrochloride tablets by ultraviolet-visible-shortwave near-infrared diffuse reflectance spectroscopy (UV-Vis-swNIR DRS) and chemometrics. Quantitative models for the two components were established by partial least squares (PLS) and support vector regression (SVR), respectively. For the PLS models of AMH and HCTZ, the determination coefficient R2 of the calibration set was 0.9503 and 0.9538, and the coefficient R2 of the prediction set was 0.8983 and 0.9260, respectively. The root mean square error of the calibration set (RMSEC) was 0.8 mg and 8.1 mg, while the root mean square error of the prediction set (RMSEP) was 1.0 mg and 8.7 mg, respectively. For the SVR models of AMH and HCTZ, the R2 of the calibration set was 0.9668 and 0.9609; the R2 of the prediction set was 0.9145 and 0.9446, respectively. The RMSEC was 0.7 and 7.5 mg, and the RMSEP was 0.9 and 8.9 mg, respectively. The results show that SVR modeling has a satisfactory prediction effect. The proposed method based on UV-vis-swNIR and chemometrics is efficient, nondestructive, and expected to be used for online quality monitoring in the production of drugs.

  15. [Rapid identification of Dendrobium plants based on near infrared diffuse reflection spectroscopy].

    Science.gov (United States)

    Ding, Chang-Chun; Fang, Xiang-Jing; Zhao, Yan-Li; Li, Gui-Xiang; Li, Tao; Wang, Yuan-Zhong; Xia, Nian-He

    2014-01-01

    Near infrared diffuse reflection spectra of 15 species' 171 samples of Dendrobium combined with chemometrics statistical analysis were used to build prediction model, in order to discriminate different species of Dendrobium quickly and nondestructively. Hotelling T2 was applied to stability analysis of spectrum of 5 random drawing samples, and the results showed that the samples spectrum possessed good stability. Orthogonal test L24 (2 x 4 x 3 x 8) was designed to optimize optical path type, spectral band, derivative and smooth. The result of orthogonal test was analyzed by principal component analysis, which revealed that when 6500-4000 cm(-1) spectral band was applied, and with multiplicative scatter correction, second derivative, Norris smooth, and the number of principal components 7, the spectrum distinguishing accuracy was 100%. With the optimized condition of orthogonal test as the input value of partial least squares discriminant analysis and random drawing 123 samples as calibration set to establish the prediction model, and the rest 48 samples as prediction set were use to assess the property of the prediction model, the results indicated that the accumulating contribution rate of the first 3 principal components of the model was 99.36%, the identification of the standard deviation was +/- 0.1, and the correct recognition rate of the model was 97.92%. The results were satisfied. The method provided a new way for the rapid identification of different species of Dendrobium, and also supplied a reference for the authentication of medicinal plants.

  16. Simultaneous diffuse reflectance infrared determination of clavulanic acid and amoxicillin using multivariate calibration techniques.

    Science.gov (United States)

    Müller, Aline Lima Hermes; Picoloto, Rochele Sogari; Ferrão, Marco Flores; da Silva, Fabiana Ernestina Barcellos; Müller, Edson Irineu; Flores, Erico Marlon de Moraes

    2012-06-01

    A method for simultaneous determination of clavulanic acid (CA) and amoxicillin (AMO) in commercial tablets was developed using diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and multivariate calibration. Twenty-five samples (10 commercial and 15 synthetic) were used as a calibration set and 15 samples (10 commercial and 5 synthetic) were used for a prediction set. Calibration models were developed using partial least squares (PLS), interval PLS (iPLS), and synergy interval PLS (siPLS) algorithms. The best algorithm for CA determination was siPLS model with spectra divided in 30 intervals and combinations of 2 intervals. This model showed a root mean square error of prediction (RMSEP) of 5.1 mg g(-1). For AMO determination, the best siPLS model was obtained with spectra divided in 10 intervals and combinations of 4 intervals. This model showed a RMSEP of 22.3 mg g(-1). The proposed method was considered as a suitable for the simultaneous determination of CA and AMO in commercial pharmaceuticals products.

  17. Evaluation of a multi-layer diffuse reflectance spectroscopy system using optical phantoms

    Science.gov (United States)

    Fredriksson, Ingemar; Saager, Rolf B.; Durkin, Anthony J.; Strömberg, Tomas

    2017-03-01

    A fiber probe-based device for assessing microcirculatory parameters, especially red blood cell (RBC) tissue fraction, their oxygen saturation and speed resolved perfusion, has been evaluated using state-of-the-art multi-layer tissue simulating phantoms. The device comprises both diffuse reflectance spectroscopy (DRS) at two source-detector separations (0.4 and 1.2 mm) and laser Doppler flowmetry (LDF) and use an inverse Monte Carlo method for identifying the parameters of a multi-layered tissue model. First, model parameters affecting scattering, absorption and geometrical parameters are fitted to measured DRS spectra, then speed parameters are fitted to LDF spectra. In this paper, the accuracy of the spectral parameters is evaluated. The measured spectral shapes at the two source-detector separations were in good agreement with forward calculated spectral shapes. In conclusion, the multi-layer skin model based on spectral features of the included chromophores, can reliably estimate the tissue fraction of RBC, its oxygen saturation and the reduced scattering coefficient spectrum of the tissue. Furthermore, it was concluded that some freedom in the relative intensity difference between the two DRS channels is necessary in order to compensate for non-modeled surface structure effects.

  18. Inverse Monte Carlo in a multilayered tissue model: merging diffuse reflectance spectroscopy and laser Doppler flowmetry

    Science.gov (United States)

    Fredriksson, Ingemar; Burdakov, Oleg; Larsson, Marcus; Strömberg, Tomas

    2013-12-01

    The tissue fraction of red blood cells (RBCs) and their oxygenation and speed-resolved perfusion are estimated in absolute units by combining diffuse reflectance spectroscopy (DRS) and laser Doppler flowmetry (LDF). The DRS spectra (450 to 850 nm) are assessed at two source-detector separations (0.4 and 1.2 mm), allowing for a relative calibration routine, whereas LDF spectra are assessed at 1.2 mm in the same fiber-optic probe. Data are analyzed using nonlinear optimization in an inverse Monte Carlo technique by applying an adaptive multilayered tissue model based on geometrical, scattering, and absorbing properties, as well as RBC flow-speed information. Simulations of 250 tissue-like models including up to 2000 individual blood vessels were used to evaluate the method. The absolute root mean square (RMS) deviation between estimated and true oxygenation was 4.1 percentage units, whereas the relative RMS deviations for the RBC tissue fraction and perfusion were 19% and 23%, respectively. Examples of in vivo measurements on forearm and foot during common provocations are presented. The method offers several advantages such as simultaneous quantification of RBC tissue fraction and oxygenation and perfusion from the same, predictable, sampling volume. The perfusion estimate is speed resolved, absolute (% RBC×mm/s), and more accurate due to the combination with DRS.

  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. Feasibility of quantitative diffuse reflectance spectroscopy for targeted measurement of renal ischemia during laparoscopic partial nephrectomy

    Science.gov (United States)

    Goel, Utsav O.; Maddox, Michael M.; Elfer, Katherine N.; Dorsey, Philip J.; Wang, Mei; McCaslin, Ian Ross; Brown, J. Quincy; Lee, Benjamin R.

    2014-10-01

    Reduction of warm ischemia time during partial nephrectomy (PN) is critical to minimizing ischemic damage and improving postoperative kidney function, while maintaining tumor resection efficacy. Recently, methods for localizing the effects of warm ischemia to the region of the tumor via selective clamping of higher-order segmental artery branches have been shown to have superior outcomes compared with clamping the main renal artery. However, artery identification can prolong operative time and increase the blood loss and reduce the positive effects of selective ischemia. Quantitative diffuse reflectance spectroscopy (DRS) can provide a convenient, real-time means to aid in artery identification during laparoscopic PN. The feasibility of quantitative DRS for real-time longitudinal measurement of tissue perfusion and vascular oxygenation in laparoscopic nephrectomy was investigated in vivo in six Yorkshire swine kidneys (n=three animals). DRS allowed for rapid identification of ischemic areas after selective vessel occlusion. In addition, the rates of ischemia induction and recovery were compared for main renal artery versus tertiary segmental artery occlusion, and it was found that the tertiary segmental artery occlusion trends toward faster recovery after ischemia, which suggests a potential benefit of selective ischemia. Quantitative DRS could provide a convenient and fast tool for artery identification and evaluation of the depth, spatial extent, and duration of selective tissue ischemia in laparoscopic PN.

  1. A wearable diffuse reflectance sensor for continuous monitoring of cutaneous blood content

    Science.gov (United States)

    Zakharov, P.; Talary, M. S.; Caduff, A.

    2009-09-01

    An optical diffuse reflectance sensor for characterization of cutaneous blood content and optimized for continuous monitoring has been developed as part of a non-invasive multisensor system for glucose monitoring. A Monte Carlo simulation of the light propagation in the multilayered skin model has been performed in order to estimate the optimal geometrical separation of the light source and detector for skin and underlying tissue. We have observed that the pathlength within the upper vascular plexus of the skin which defines the sensor sensitivity initially grows with increasing source-detector distance (SDD) before reaching a maximum at 3.5 mm and starts to decay with further increase. At the same time, for distances above 2.4 mm, the sensor becomes sensitive to muscle blood content, which decreases the specificity to skin perfusion monitoring. Thus, the SDDs in the range from 1.5 mm to 2.4 mm satisfy the requirements of sensor sensitivity and specificity. The hardware implementation of the system has been realized and tested in laboratory experiments with a venous occlusion procedure and in an outpatient clinical study in 16 patients with type 1 diabetes mellitus. For both testing procedures, the optical sensor demonstrated high sensitivity to perfusion change provoking events. The general build-up of cutaneous blood under the sensor has been observed which can be associated with pressure-induced vasodilation as a response to the sensor application.

  2. Smartphone spectrometer for non-invasive diffuse reflectance spectroscopy based hemoglobin sensing (Conference Presentation)

    Science.gov (United States)

    Edwards, Perry S.

    2016-10-01

    Fiber-optic based diffuse reflectance spectroscopy (DRS) is shown to be a highly specific and highly sensitive method for non-invasive detection of various cancers (e.g. cervical and oral) as well as many other diseases. Fiber-optic DRS diagnosis relies on non-invasive biomarker detection (e.g. oxy- and deoxy-hemoglobin) and can be done without the need for sophisticated laboratory analysis of samples. Thus, it is highly amenable for clinical adoption especially in resource scarce regions that have limited access to such developed laboratory infrastructure. Despite the demonstrated effectiveness of fiber-optic DRS, such systems remain cost prohibitive in many of these regions, mainly due to the use of bulky and expensive spectrometers. Here, a fiber-optic DRS system is coupled to a smartphone spectrometer and is proposed as a low-cost solution for non-invasive tissue hemoglobin sensing. The performance of the system is assessed by measuring tissue phantoms with varying hemoglobin concentrations. A DRS retrieval algorithm is used to extract hemoglobin parameters from the measurements and determine the accuracy of the system. The results are then compared with those of a previously reported fiber-optic DRS system which is based on a larger more expensive spectrometer system. The preliminary results are encouraging and indicate the potential of the smartphone spectrometer as a viable low-cost option for non-invasive tissue hemoglobin sensing.

  3. Fourier transform infrared spectroscopic analysis of spin-on dopant layers used in proximity rapid thermal diffusion

    Science.gov (United States)

    Romero-Borja, Fernando; Grabiec, Piotr B.; Zagozdzon-Wasik, Wanda; Wood, Lowell L.

    1994-01-01

    A new rapid thermal diffusion (proximity RTD) method, utilizing spin-on dopant (SOD) layers, was reported recently. This technique is based on an evaporation-gas phase diffusion- adsorption-surface reaction-diffusion in Si scheme. In this paper we use FTIR spectroscopy to investigate a relationship between the SOD layer structure/composition and its doping efficiency, as determined by sheet resistance (RS) measurements, for a phosphorus diffusion case.

  4. Assessing spatial variability of soil petroleum contamination using visible near-infrared diffuse reflectance spectroscopy.

    Science.gov (United States)

    Chakraborty, Somsubhra; Weindorf, David C; Zhu, Yuanda; Li, Bin; Morgan, Cristine L S; Ge, Yufeng; Galbraith, John

    2012-11-01

    Visible near-infrared (VisNIR) diffuse reflectance spectroscopy (DRS) is a rapid, non-destructive method for sensing the presence and amount of total petroleum hydrocarbon (TPH) contamination in soil. This study demonstrates the feasibility of VisNIR DRS to be used in the field to proximally sense and then map the areal extent of TPH contamination in soil. More specifically, we evaluated whether a combination of two methods, penalized spline regression and geostatistics could provide an efficient approach to assess spatial variability of soil TPH using VisNIR DRS data from soils collected from an 80 ha crude oil spill in central Louisiana, USA. Initially, a penalized spline model was calibrated to predict TPH contamination in soil by combining lab TPH values of 46 contaminated and uncontaminated soil samples and the first-derivative of VisNIR reflectance spectra of these samples. The r(2), RMSE, and bias of the calibrated penalized spline model were 0.81, 0.289 log(10) mg kg(-1), and 0.010 log(10) mg kg(-1), respectively. Subsequently, the penalized spline model was used to predict soil TPH content for 128 soil samples collected over the 80 ha study site. When assessed with a randomly chosen validation subset (n = 10) from the 128 samples, the penalized spline model performed satisfactorily (r(2) = 0.70; residual prediction deviation = 2.0). The same validation subset was used to assess point kriging interpolation after the remaining 118 predictions were used to produce an experimental semivariogram and map. The experimental semivariogram was fitted with an exponential model which revealed strong spatial dependence among soil TPH [r(2) = 0.76, nugget = 0.001 (log(10) mg kg(-1))(2), and sill 1.044 (log(10) mg kg(-1))(2)]. Kriging interpolation adequately interpolated TPH with r(2) and RMSE values of 0.88 and 0.312 log(10) mg kg(-1), respectively. Furthermore, in the kriged map, TPH distribution matched with the expected TPH variability of the study site. Since the

  5. Quantitative Analysis of Berberine in Processed Coptis by Near-Infrared Diffuse Reflectance Spectroscopy

    Institute of Scientific and Technical Information of China (English)

    ZHANG Yong; XIE Yun-fei; SONG Feng-rui; LIU Zhi-qiang; CONG Qian; ZHAO Bing

    2008-01-01

    The near-infrared(NIR) diffuse reflectance spectroscopy was used to study the content of Berberine in the processed Coptis.The allocated proportions of Coptis to ginger,yellow liquor or Evodia rutaecarpa changed according to the results of orthogonal design as well as the temperature.For as withdrawing the full and effective information from the spectral data as possible,the spectral data was preprocessed through first derivative and muitiplicative scatter correction(MSC) according to the optimization results of different preprocessing methods.Firstly,the model was established by partial least squares(PLS); the coefficient of determination(R2) of the prediction was 0.839,the root mean squared error of prediction(RMSEP) was 0.1422,and the mean relative error(RME) was 0.0276.Secondly,for reducing the dimension and removing noise,the spectral variables were highly effectively compressed via the wavelet transformation(WT) technology and the Haar wavelet was selected to decompose the spectral signals.After the wavelet coefficients from WT were input into the artificial neural network(ANN) instead of the spectra signal,the quantitative analysis model of Berberine in processed Coptis was established.The R2 of the model was 0.9153,the RMSEP was 0.0444,and the RME was 0.0091.The values of appraisal index,namely R2,RMSECV,and RME,indicate that the generalization ability and prediction precision of ANN are superior to those of PLS.The overall results show that NIR spectroscopy combined with ANN can be efficiently utilized for the rapid and accurate analysis of routine chemical compositions in Coptis.Accordingly,the result can provide technical support for the further analysis of Berberine and other components in processed Coptis.Simultaneously,the research can also offer the foundation of quantitative analysis of other NIR application.

  6. Diffuse reflectance near infrared-chemometric methods development and validation of amoxicillin capsule formulations

    Directory of Open Access Journals (Sweden)

    Ahmed Nawaz Khan

    2016-01-01

    Full Text Available Objective: The aim of present study was to establish near infrared-chemometric methods that could be effectively used for quality profiling through identification and quantification of amoxicillin (AMOX in formulated capsule which were similar to commercial products. In order to evaluate a large number of market products easily and quickly, these methods were modeled. Materials and Methods: Thermo Scientific Antaris II near infrared analyzer with TQ Analyst Chemometric Software were used for the development and validation of the identification and quantification models. Several AMOX formulations were composed with four excipients microcrystalline cellulose, magnesium stearate, croscarmellose sodium and colloidal silicon dioxide. Development includes quadratic mixture formulation design, near infrared spectrum acquisition, spectral pretreatment and outlier detection. According to prescribed guidelines by International Conference on Harmonization (ICH and European Medicine Agency (EMA developed methods were validated in terms of specificity, accuracy, precision, linearity, and robustness. Results: On diffuse reflectance mode, an identification model based on discriminant analysis was successfully processed with 76 formulations; and same samples were also used for quantitative analysis using partial least square algorithm with four latent variables and 0.9937 correlation of coefficient followed by 2.17% root mean square error of calibration (RMSEC, 2.38% root mean square error of prediction (RMSEP, 2.43% root mean square error of cross-validation (RMSECV. Conclusion: Proposed model established a good relationship between the spectral information and AMOX identity as well as content. Resulted values show the performance of the proposed models which offers alternate choice for AMOX capsule evaluation, relative to that of well-established high-performance liquid chromatography method. Ultimately three commercial products were successfully evaluated

  7. [Nondestructive measurement of sugar content of Hami melon based on diffuse reflectance hyperspectral imaging technique].

    Science.gov (United States)

    Ma, Ben-Xue; Xiao, Wen-Dong; Qi, Xiang-Xiang; He, Qing-Hai; Li, Feng-Xia

    2012-11-01

    The research on nondestructive test for detecting the sugar content of Hami melon by the technology of hyperspectral imaging was put forward. The research used the hyperspectral imaging system to get the diffuse reflective spectrum information (400 - 1 000 nm) of anilox class Hami melon sugar content, chose effective whole wavelength (500 - 820 nm)to do the modeling regression analysis the sugar content of Hami melon. The research compared the correction method of MSC and SNV, and also compared the influence of accuracy of modeling in terms of the spectrum pretreatment methods of original spectrum, first order differential, second order differential; Using the methods of PLS, SMLR and PCR, the comparative analysis of sugar content detection model effect with skin Hami melon and peel Hami melon was conducted. The results showed that after the original spectrum being processed by MSC and first order differential spectrum, modeling effect could be very good using the method of PLS and SMLR. Synthesizing correction set correlation coefficient and forecast modeling effect, it's feasible to detect the sugar content of skin Hami melon by the PLS method, with a correction sample correlation coefficient (R(c)) of 0.861 and the lower root mean square errors of correction (RMSEC) of 0.627, and a prediction sample correlation coefficient (R(p)) of 0.706 and root mean square errors of prediction (RMSEP) of 0.873. The best effect to detecti the sugar content of peel Hami melon was obtained by the SMLR method with a correction sample correlation coefficient (R(c)) of 0.928 and the lower root mean square errors of correction (RMSEC) of 0.458, with a Prediction sample correlation coefficient (R(p)) of 0.818 and root mean square errors of prediction (RMSEP) of 0.727. The results of this study indicate that the technology of hyperspectral imaging can be used to predict the sugar content of Hami melon.

  8. 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.

  9. 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

    2017-03-01

    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%).

  10. Impact of blood volume changes within the human skin on the diffuse reflectance measurements in visible and NIR spectral ranges

    Science.gov (United States)

    Zherebtsov, Evgeny; Bykov, Alexander; Popov, Alexey; Doronin, Alexander; Meglinski, Igor

    2017-03-01

    We consider changes in the volume of blood and oxygen saturation caused by a pulse wave and their influence on the diffuse reflectance spectra in the visible/NIR spectral range. CUDA-based Monte-Carlo model was used for routine simulation of detector depth sensitivity (sampling volume) and skin spectra, and their variations associated with physiological changes in the human skin. The results presented in the form of animated graphs of sampling volume changes for scaling of the parameters of the main human skin layers related to the results of experimental measurements are of particular interest for pulse oximetry, photoplethysmography, Doppler flowmetry, reflectance spectroscopy.

  11. Study on thermal diffusivity of materials by laser photothermal reflection technique

    Institute of Scientific and Technical Information of China (English)

    Peiji Wang(王培吉); Fengjun Zhang(张奉军); Xueren Dong(董学仁); Zhong Zhang(张仲); Suhua Fan(范素华)

    2003-01-01

    A method of measuring thermal diffusivity of materials at room temperature by photothermal reflectiontechnique is described. An intensity-modulated Ar+ laser beam is used as incident light. The beam isfocused to about 1 mm diameter spot and illuminates the sample surface. HgCdTe infrared detector isused to receive photothermal signal. Using this technique, the photothermal signals are experimentallymeasured as the function of different frequencies. The thermal diffusivities can be obtained by fittingthe experimental data. On the other hand, the thermal diffusivities of one-way composite and orthogonalsymmetric arranged composites A12O3/A1 are measured in transverse, longitudinal and arbitrary directions.The results show that the diffusivity of one-way material decreases with the increase of the measurementangle; the diffusivity of orthogonally arranged material almost keeps the same when measurement anglechanges.

  12. [Determination of isorhamnetin in Hippophae rhamnoides Linn from West Sichuan plateau using near infrared diffuse reflectance spectroscopy].

    Science.gov (United States)

    Ye, Li-Ming; Zhou, Min; Zhang, Hao; Chen, Chu; Li, Zhang-Wan; Chen, Cong; Wang, Yan-Ping

    2008-02-01

    The objective of this study was to develop a method for the determination of isorhamnetin in Hippophae rhamnoides Linn from West Sichuan plateau using near infrared diffuse reflectance spectroscopy. Applying the method of mixing with SiO2, the near infrared spectra (NIS) with the range of 12 000-4 000 cm(-1) were recorded for the Hippophae rhamnoides Linn containing isorhamnetin with the content of 0.1%-0.8%. Calibration models were established using the PLS (partial least squares). Different spectra pretreatments methods were compared. The study showed that spectral information can be extracted thoroughly by constant offset elimination (COE) pretreatments method with the correlation coefficient (r2) of 0.739 8, SEC of 0.107 (standard deviation of the calibration sets) and SEP of 0.073 (standard deviation of the prediction sets). The results indicate that near infrared diffuse reflectance spectroscopy is more rapid and convenient than conventional methods.

  13. Spatially resolved, diffuse reflectance imaging for subsurface pattern visualization toward development of a lensless imaging platform: phantom experiments

    Science.gov (United States)

    Schelkanova, Irina; Pandya, Aditya; Saiko, Guennadi; Nacy, Lidia; Babar, Hannan; Shah, Duoaud; Lilge, Lothar; Douplik, Alexandre

    2016-01-01

    A portable, spatially resolved, diffuse reflectance lensless imaging technique based on the charge-coupled device or complementary metal-oxide semiconductor sensor directly coupled to the fiber optic bundle is proposed for visualization of subsurface structures such as superficial microvasculature in the epithelium. We discuss an experimental method for emulating a lensless imaging setup via raster scanning a single fiber-optic cable over a microfluidic phantom containing periodic hemoglobin absorption contrast. To evaluate the ability of the technique to recover information about the subsurface linear structures, scattering layers formed of the Sylgard® 184 Silicone Elastomer and titanium dioxide were placed atop the microfluidic phantom. Thickness of the layers ranged from 0.2 to 0.7 mm, and the values of the reduced scattering coefficient (μs‧) were between 0.85 and 4.25 mm-1. The results demonstrate that fiber-optic, lensless platform can be used for two-dimensional imaging of absorbing inclusions in diffuse reflectance mode. In these experiments, it was shown that diffuse reflectance imaging can provide sufficient spatial sampling of the phantom for differentiation of 30 μm structural features of the embedded absorbing pattern inside the scattering media.

  14. Fiber-bundle microendoscopy with sub-diffuse reflectance spectroscopy and intensity mapping for multimodal optical biopsy of stratified epithelium.

    Science.gov (United States)

    Greening, Gage J; James, Haley M; Powless, Amy J; Hutcheson, Joshua A; Dierks, Mary K; Rajaram, Narasimhan; Muldoon, Timothy J

    2015-12-01

    Early detection of structural or functional changes in dysplastic epithelia may be crucial for improving long-term patient care. Recent work has explored myriad non-invasive or minimally invasive "optical biopsy" techniques for diagnosing early dysplasia, such as high-resolution microendoscopy, a method to resolve sub-cellular features of apical epithelia, as well as broadband sub-diffuse reflectance spectroscopy, a method that evaluates bulk health of a small volume of tissue. We present a multimodal fiber-based microendoscopy technique that combines high-resolution microendoscopy, broadband (450-750 nm) sub-diffuse reflectance spectroscopy (sDRS) at two discrete source-detector separations (374 and 730 μm), and sub-diffuse reflectance intensity mapping (sDRIM) using a 635 nm laser. Spatial resolution, magnification, field-of-view, and sampling frequency were determined. Additionally, the ability of the sDRS modality to extract optical properties over a range of depths is reported. Following this, proof-of-concept experiments were performed on tissue-simulating phantoms made with poly(dimethysiloxane) as a substrate material with cultured MDA-MB-468 cells. Then, all modalities were demonstrated on a human melanocytic nevus from a healthy volunteer and on resected colonic tissue from a murine model. Qualitative in vivo image data is correlated with reduced scattering and absorption coefficients.

  15. Spectroscopic evaluation of photodynamic therapy of the intraperitoneal cavity

    Science.gov (United States)

    Finlay, Jarod C.; Sandell, Julia L.; Zhu, Timothy C.; Lewis, Robert; Cengel, Keith A.; Hahn, Stephen M.

    2015-01-01

    We present the results of spectroscopic measurements of diffuse reflectance and fluorescence before and after photodynamic therapy of healthy canine peritoneal cavity. Animals were treated intra-operatively after iv injection of the benzoporphyrin derivative (BPD). The small bowel was treated using a uniform light field projected by a microlenstipped fiber. The cavity was then filled with scattering medium and the remaining organs were treated using a moving diffuser. Diffuse reflectance and fluorescence measurements were made using a multi-fiber optical probe positioned on the surface of various tissues within the cavity before and after illumination. The measured data were analyzed to quantify hemoglobin concentration and oxygenation and sensitizer concentration. PMID:26028798

  16. Spectroscopic evaluation of photodynamic therapy of the intraperitoneal cavity

    Science.gov (United States)

    Finlay, Jarod C.; Sandell, Julia L.; Zhu, Timothy C.; Lewis, Robert; Cengel, Keith A.; Hahn, Stephen M.

    2010-02-01

    We present the results of spectroscopic measurements of diffuse reflectance and fluorescence before and after photodynamic therapy of healthy canine peritoneal cavity. Animals were treated intra-operatively after iv injection of the benzoporphyrin derivative (BPD). The small bowel was treated using a uniform light field projected by a microlens-tipped fiber. The cavity was then filled with scattering medium and the remaining organs were treated using a moving diffuser. Diffuse reflectance and fluorescence measurements were made using a multi-fiber optical probe positioned on the surface of various tissues within the cavity before and after illumination. The measured data were analyzed to quantify hemoglobin concentration and oxygenation and sensitizer concentration.

  17. Time Evolution of Reflective Thermal Lenses and Measurement of Thermal Diffusivity in Bulk Solids

    Science.gov (United States)

    Doiron, Serge; Haché, Alain

    2004-07-01

    A simple method for optically measuring the thermal diffusivity of solids is demonstrated. The thermal displacement created on a substrate by a focused laser beam is determined from the divergence that it induces in a weak probe beam. The dynamics of the surface lens and the amplitude of the probe beam's divergence are then used to determine the thermal diffusivity of the substrate. Several materials that span a wide range of thermal properties are studied.

  18. Weak approximation of obliquely reflected diffusions in time-dependent domains

    OpenAIRE

    Önskog, Thomas; Nyström, Kaj

    2010-01-01

    In an earlier paper, we proved the existence of solutions to the Skorohod problem with oblique reflection in time-dependent domains and, subsequently, applied this result to the problem of constructing solutions, in time-dependent domains, to stochastic differential equations with oblique reflection. In this paper we use these results to construct weak approximations of solutions to stochastic differential equations with oblique reflection, in time-dependent domains in R^d, by means of a proj...

  19. In Situ Raman Spectroscopic Study of the Diffusion Coefficients and Solubility:Indicates to Carbon Dioxide Injection into Hexadecane

    Science.gov (United States)

    Wu, Dan; Lu, Wanjun

    2015-04-01

    Injecting CO2 into lean-oil reservoirs is not only a way to geological storage but also enhanced oil recovery. In the secondary displacements of oil reservoir by CO2-injection, diffusion coefficients and solubility of CO2 are key parameters to calculate the volume of CO2 injected and the time to achieve the desired viscosity in the numerical simulation. Unfortunately, the experimental data on the CO2 diffusion coefficient and solubility in liquid hydrocarbons under high pressure conditions are scarce. Hexadecane has properties similar to the average properties of Brazilian heavy oil. Experimental data on the diffusion coefficients and solubility of CO2 in hexadecane were reviewed by Nieuwoudt and Rand (2002), Rincon and Trejo (2001) and Breman et al (1994), indicating that the data in the literature were limited at relatively low temperatures and/or low pressures. In this paper, the diffusion coefficients of carbon dioxide in hexadecane at different temperature and pressure were determined with in situ Raman spectroscopy. A model was established to describe relationship among diffusion coefficients, temperature, and pressure. The solubility of CO2 in hexadecane was obtained from 298.15 to 473.15 K and 10 to 45 MPa. The experimental results show that:(1) Solubility of CO2 decreases with increasing temperature.(2) Increasing pressure increases the CO2 solubility. in terms of the degree of influence,100K is similar with 10MPa.(3) Diffusion coefficients of CO2 increases with increasing temperature. (4) Increasing pressure decreases the CO2 diffusion coefficients, whereas the pressure effect on CO2 diffusion coefficients is very weak. Compared with traditional sampling and analytical methods, the advantages of our method include: (1) the use of in situ Raman signals for solubility measurements eliminates possible uncertainty caused by sampling and ex situ analysis. (2) it is simple and efficient, and (3) high-pressure data can be obtained safely.

  20. Evaluation of Cesium, Strontium, and Lead Sorption, Desorption, and Diffusion in Volcanic Tuffs from Frenchman Flat, Nevada Test Site: Macroscopic and Spectroscopic Investigations

    Energy Technology Data Exchange (ETDEWEB)

    Charalambos Papelis; Wooyong Um

    2003-03-01

    The interaction of radionuclides and other contaminants with minerals and other aquifer materials controls the rate of migration of these contaminants in groundwater. The stronger these interactions, the more a radionuclide will be retarded. Processes such as sorption and diffusion often control the migration of inorganic compounds in aquifers. In addition, these processes are often controlled by the nature of ions of interest, the nature of the aquifer materials, and the specific geochemical conditions. Parameters describing sorption and diffusion of radionuclides and other inorganic ions on aquifer materials are used in transport codes to predict the potential for migration of these contaminants into the accessible environment. Sorption and diffusion studies can help reduce the uncertainty of radionuclide transport modeling on the Nevada Test Site (NTS) and other nuclear testing areas. For example, reliable sorption equilibrium constants, obtained under a variety of conditions, can be used to suggest a plausible sorption mechanism and to provide retardation parameters that can be used in transport models. In addition, these experiments, performed under a variety of conditions, can lead to models that can accommodate changing geochemical conditions. Desorption studies can probe the reversibility of reactions and test whether the reversibility assumed by equilibrium models is justified. Kinetic studies can be used to probe the time-dependent limitations of reactions and suggest whether an equilibrium or kinetic model may be more appropriate. Finally, spectroscopic studies can be used to distinguish between different sorption mechanisms, and provide further guidance with respect to model selection.

  1. A model for calculating specular and diffuse reflections in outdoor sound propagation

    NARCIS (Netherlands)

    Salomons, E.M.

    2006-01-01

    In many practical outdoor situations, the direct sound path between a noise source and a receiver is screened by an obstacle. In these situations indirect sound paths become important, in particular reflections of sound waves. Reflections may occur at objects such as a vertical wall, but also at the

  2. Mapping of healthy oral mucosal tissue using diffuse reflectance spectroscopy: ratiometric-based total hemoglobin comparative study.

    Science.gov (United States)

    Hafez, Razan; Hamadah, Omar; Bachir, Wesam

    2015-11-01

    The objective of this study is to clinically evaluate the diffuse reflectance spectroscopy (DRS) ratiometric method for differentiation of normal oral mucosal tissues with different histological natures and vascularizations in the oral cavity. Twenty-one healthy patients aged 20-44 years were diagnosed as healthy and probed with a portable DRS system. Diffuse reflectance spectra were recorded in vivo in the range (450-650 nm). In this study, the following three oral mucosal tissues were considered: masticatory mucosa, lining mucosa, and specialized mucosa. Spectral features based on spectral intensity ratios were determined at five specific wavelengths (512, 540, 558, 575, and 620 nm). Total hemoglobin based on spectral ratios for the three anatomical regions have also been evaluated. The three studied groups representing different anatomical regions in the oral cavity were compared using analysis of variance and post hoc least significant difference tests. Statistical analysis showed a significant difference in the mean of diffuse spectral ratios between the groups (P spectroscopy might be used for creating a DRS databank of normal oral mucosal tissue with specific spectral ratios featuring the total hemoglobin concentrations. That would further enhance the discrimination of oral tissue for examining the histological nature of oral mucosa and diagnosis of early precancerous changes in the oral cavity based on non-invasive monitoring of neovascularization.

  3. Diffuse reflectance infrared fourier transform spectroscopic (DRIFTS) investigation of E.coli, Staphylococcus aureus and Candida albicans

    Digital Repository Service at National Institute of Oceanography (India)

    DeSouza, L.; PrabhaDevi; Kamat, T.; Naik, C.G.

    & Labischinski H, Microbiological characterization by FT-IR spectroscopy. Nature, 351 (1991b) 81-82. 10 Van der Mei H C, Naumann D & Busscher H J, Grouping of oral streptococcal species using Fourier transform infrared spectroscopy in comparison... with classical microbiological identification. Arch Oral BioI, 38 (1993) 1013-1019. 11 Curk M C, Peladan F & Hubert J C, Fourier-transform infrared spectroscopy for identifying Lactobacillus sp. FEMS Microbiol Lett, 123 (1994) 241-248. 12 Holt C, Hirst D...

  4. 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

    2017-01-01

    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.

  5. Modelling the In Situ Infrared Reflection-Absorption Spectra of the Diffuse Layer

    Science.gov (United States)

    1989-05-01

    Absorption Spectra of the Diffuse Layer by P.W. Faguy, S. McCullough and W.R. Fawcett Prepared for Presentation at The Electrochemical Society Meeting Los...Research 800 N. Quincy Arlington, VA 22217-5000 ,a. IL bgm. Nme Prepared for Presentation at: The- Electrochemical Society Meeting, Los Angeles, CA, May

  6. Diffusion Weighted Callosal Integrity Reflects Interhemispheric Communication Efficiency in Multiple Sclerosis

    Science.gov (United States)

    Warlop, Nele P.; Achten, Eric; Debruyne, Jan; Vingerhoets, Guy

    2008-01-01

    We aimed to investigate the relation between damage in the corpus callosum and the performance on an interhemispheric communication task in patients with multiple sclerosis (MS). Relative callosal lesion load defined as the ratio between callosal area and the total lesion load in the total corpus callosum, and the diffusion tensor imaging (DTI)…

  7. Uniqueness of Gibbs state and exponential L~2-convergence for infinite-dimensional reflecting diffusion processes

    Institute of Scientific and Technical Information of China (English)

    王凤雨

    1995-01-01

    Let (M, g) be a compact Riemannian manifold with boundary M. By using Dobrushin’suniqueness condition and estimates of the first Neumann eigenvalue, some uniqueness conditions of Gibbs statefor stochastic Ising models with spin space MZd are obtained. Moreover, the L2-convergence of diffusion stochastic Ising models is also studied.

  8. Cyclic Correlation of Diffuse Reflected Signal with Glucose Concentration and scatterer size

    CERN Document Server

    Solanki, Jitendra; Andrews, Joseph Thomas; Thareja, Kamal Kishore; 10.4236/jmp.2012.31009

    2012-01-01

    The utility of optical coherence tomography signal intensity for measurement of glucose concentration has been analysed in tissue phantom and blood samples from human subjects. The diffusion equation based calculations as well as in-vivo OCT signal measurements confirms the cyclic correlation of signal intensity with glucose concentration and scatterer size.

  9. Resin characterization in cured graphite fiber reinforced composites using diffuse reflectance-FTIR. [Fourier transform infrared spectroscopy

    Science.gov (United States)

    Young, P. R.; Stein, B. A.; Chang, A. C.

    1983-01-01

    The feasibility of using diffuse reflectance in combination with Fourier transform infrared spectroscopy to obtain information on cured graphite fiber reinforced polymeric matrix resin composites was investigated. Several graphite/epoxy, polysulfone, and polyimide composites exposed to thermal or radiation environments were examined. An experimental polyimide-sulfone adhesive tape was also studied during processing. In each case, significant changes in resin molecular structure was observed due to environmental exposure. These changes in molecular structure were correlated with previously observed changes in material properties providing new insights into material behavior.

  10. In vivo preclinical verification of a multimodal diffuse reflectance and correlation spectroscopy system for sensing tissue perfusion

    Science.gov (United States)

    Pakela, Julia M.; Lee, Seung Yup; Hedrick, Taylor L.; Vishwanath, Karthik; Helton, Michael C.; Chung, Yooree G.; Kolodziejski, Noah J.; Staples, Christopher J.; McAdams, Daniel R.; Fernandez, Daniel E.; Christian, James F.; O'Reilly, Jameson; Farkas, Dana; Ward, Brent B.; Feinberg, Stephen E.; Mycek, Mary-Ann

    2017-02-01

    In reconstructive surgery, impeded blood flow in microvascular free flaps due to a compromise in arterial or venous patency secondary to blood clots or vessel spasms can rapidly result in flap failures. Thus, the ability to detect changes in microvascular free flaps is critical. In this paper, we report progress on in vivo pre-clinical testing of a compact, multimodal, fiber-based diffuse correlation and reflectance spectroscopy system designed to quantitatively monitor tissue perfusion in a porcine model's surgically-grafted free flap. We also describe the device's sensitivity to incremental blood flow changes and discuss the prospects for continuous perfusion monitoring in future clinical translational studies.

  11. 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.

  12. Some reflections on the diffusion of pellet heating systems in Sweden

    Energy Technology Data Exchange (ETDEWEB)

    Mahapatra, Krushna; Gustavsson, Leif [1Mid Sweden University, Ecotechnology, SE-831 25 Oestersund (Sweden); Madlener, Reinhard [CEPE - Centre for Energy Policy and Economics, Swiss Federal Institute of Technology, Zurich (Switzerland)

    2002-07-01

    In the context of global warming and dependence on fossil fuels, modern bioenergy systems have appeared as important sustainable energy solutions with a large untapped potential in Sweden and the rest of the European Union. Small-scale pellet heating systems for space heating of small houses is one of these solutions. In Sweden, such systems have relative advantages over oil- or electricity boiler systems both in terms of greenhouse gas emission reduction and total lifetime cost of equipment and fuel. However, so far the market diffusion process of this technology has been rather slow. This paper, by employing concepts and insights from the literature of evolutionary economics and sociology, studies the factors involved in the diffusion of such systems.

  13. Design and fabrication of SiO2/TiO2 and MgO/TiO2 based high selective optical filters for diffuse reflectance and fluorescence signals extraction.

    Science.gov (United States)

    Pimenta, S; Cardoso, S; Miranda, A; De Beule, P; Castanheira, E M S; Minas, G

    2015-08-01

    This paper presents the design, optimization and fabrication of 16 MgO/TiO2 and SiO2/TiO2 based high selective narrow bandpass optical filters. Their performance to extract diffuse reflectance and fluorescence signals from gastrointestinal tissue phantoms was successfully evaluated. The obtained results prove their feasibility to correctly extract those spectroscopic signals, through a Spearman's rank correlation test (Spearman's correlation coefficient higher than 0.981) performed between the original spectra and the ones obtained using those 16 fabricated optical filters. These results are an important step for the implementation of a miniaturized, low-cost and minimal invasive microsystem that could help in the detection of gastrointestinal dysplasia.

  14. Estimating the concentration of aluminum-substituted hematite and goethite using diffuse reflectance spectrometry and rock magnetism: Feasibility and limitations

    Science.gov (United States)

    Hu, Pengxiang; Jiang, Zhaoxia; Liu, Qingsong; Heslop, David; Roberts, Andrew P.; Torrent, José; Barrón, Vidal

    2016-06-01

    Hematite and goethite in soils are often aluminum (Al) substituted, which can dramatically change their reflectance and magnetic properties and bias abundance estimates using diffuse reflectance spectroscopy (DRS) and magnetic techniques. In this study, synthetic Al-substituted hematites and goethites and two Chinese loess/paleosol sequences were investigated to test the feasibility and limitations of estimating Al-hematite and Al-goethite concentration. When Al substitution is limited (Al/(Al + Fe) molar ratio ~8%) reduces DRS band intensity, which leads to biased estimates of mineral concentration. Al substitution and grain size exert a control on coercivity distributions of hematite and goethite and, thus, affect the hard isothermal remanent magnetization. By integrating DRS and magnetic methods, we suggest a way to constrain hematite and goethite Al substitution in natural loess. Results indicate that hematite and goethite in Chinese loess have Al contents lower than ~8% and, thus, that DRS can be used to trace hematite and goethite concentration variations.

  15. Quantitative spot-test analysis of metformin in pharmaceutical preparations using ultraviolet-visible diffuse reflectance spectroscopy.

    Science.gov (United States)

    Tubino, Matthieu; Bianchessi, Luís Francisco; Vila, Marta M D C

    2010-01-01

    A quantitative spot-test for the determination of metformin in pharmaceutical preparations using diffuse UV-visible reflectance is reported. The procedure is quite simple, involving in the formation of a metformin-nickel(II) complex on a glass filter membrane with a later measurement of the reflectance in the spectrophotometer using an integration sphere. The analytical results obtained with commercial products were statistically compared with those resulting from a method recommended by JP and by USP, where complete agreement was observed. The average RSD is 2.5% and the detection (0.009 mol L(-1)) and the quantitation (0.03 mol L(-1)) limits are quite adequate for pharmaceutical analysis.

  16. A simple and green analytical method for determination of glyphosate in commercial formulations and water by diffuse reflectance spectroscopy

    Science.gov (United States)

    da Silva, Aline Santana; Fernandes, Flávio Cesar Bedatty; Tognolli, João Olímpio; Pezza, Leonardo; Pezza, Helena Redigolo

    2011-09-01

    This article describes a simple, inexpensive, and environmentally friendly method for the monitoring of glyphosate using diffuse reflectance spectroscopy. The proposed method is based on reflectance measurements of the colored compound produced from the spot test reaction between glyphosate and p-dimethylaminocinnamaldehyde ( p-DAC) in acid medium, using a filter paper as solid support. Experimental designs were used to optimize the analytical conditions. All reflectance measurements were carried out at 495 nm. Under optimal conditions, the glyphosate calibration graphs obtained by plotting the optical density of the reflectance signal (A R) against the concentration were linear in the range 50-500 μg mL -1, with a correlation coefficient of 0.9987. The limit of detection (LOD) for glyphosate was 7.28 μg mL -1. The technique was successfully applied to the direct determination of glyphosate in commercial formulations, as well as in water samples (river water, pure water and mineral drinking water) after a previous clean-up or pre-concentration step. Recoveries were in the ranges 93.2-102.6% and 91.3-102.9% for the commercial formulations and water samples, respectively.

  17. Assessing saffron (Crocus sativus L.) adulteration with plant-derived adulterants by diffuse reflectance infrared Fourier transform spectroscopy coupled with chemometrics.

    Science.gov (United States)

    Petrakis, Eleftherios A; Polissiou, Moschos G

    2017-01-01

    Saffron, the dried red stigmas of the plant Crocus sativus L., is well-known as one of the most important and expensive spices worldwide. It is thus highly susceptible to fraudulent practices that employ, among others, plant-derived adulterants. This study presents an application of diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and chemometric techniques for evaluating adulteration of saffron with six characteristic adulterants of plant origin, i.e. C. sativus stamens, calendula, safflower, turmeric, buddleja, and gardenia. The proposed method involved a three-step process for the detection of adulteration as well as for the identification and quantification of adulterants. Partial least squares discriminant analysis (PLS-DA) was applied to perform authentication of saffron based on mid-infrared fingerprints (4000-600cm(-1)), resulting in 99% correct classification of pure saffron and saffron adulterated at 5-20% (w/w) levels. Adulterant identification in positive samples was performed with high sensitivity and specificity by a six-class PLS-DA model, with spectroscopic data from the region 2000-600cm(-1). Subsequently, partial least squares (PLS) regression models were built for the quantification of each adulterant. By using synergy interval PLS (siPLS) for variable selection, models with improved performance were developed, with detection limits ranging from 1.0% to 3.1% (w/w). The results obtained illustrate that this strategy based on DRIFTS has the potential to complement existing methodologies for the rapid and cost-effective assessment of typical saffron frauds.

  18. Surface structure of crystalline and amorphous chromia catalysts for the selective catalytic reduction of nitric oxide. 2. Diffuse reflectance FTIR study of thermal treatment and oxygen adsorption

    Energy Technology Data Exchange (ETDEWEB)

    Schraml-Marth, M.; Wokaun, A. (Univ. of Bayreuth (Germany)); Curry-Hyde, H.E.; Baiker, A. (Swiss Federal Inst. of Tech., Zuerich (Switzerland))

    1992-02-01

    The activation of crystalline and amorphous chromia surfaces by thermal pretreatment in argon and oxygen adsorption at 473 K has been studied by diffuse reflectance FTIR and Raman spectroscopy. The formation of coordinatively unsaturated chromium sites during thermal activation is monitored by observing the evolution of Cr{double bond}O stretching absorptions both in the fundamental and overtone regions of the FTIR spectrum. On {alpha}-Cr{sub 2}O{sub 3}, labile surface oxygen species are largely removed at 498 K, whereas on the amorphous chromia surface, labile oxygen is more tightly bound. As a consequence, coordinatively unsaturated chromium sites are generated on amorphous chromia to a lesser extent than on {alpha}-Cr{sub 2}O{sub 3}. Upon high-temperature oxygen treatment, O{sub 2} is dissociatively adsorbed. Coordinatively unsaturated sites are occupied by the added oxygen, as manifested by an increase in the number of Cr{double bond}O oscillators. Fine structure in the Cr{double bond}O absorptions of the amorphous chromia is observed for the first time, and is tentatively assigned to various types of surface sites. Raman spectroscopic characterization of the amorphous chromia surface reveals laser-induced dehydration and creation of coordinatively unsaturated surface Cr{double bond}O sites, accompanied by progressive crystallization of the amorphous substrate. Differences between crystalline and amorphous chromia with respect to their SCR activity are correlated with the higher density of labile oxygen species available on the surface of amorphous chromia under SCR reaction conditions (423-473 K).

  19. ADHD Performance Reflects Inefficient but not Impulsive Information Processing : A Diffusion Model Analysis

    NARCIS (Netherlands)

    Metin, Baris; Roeyers, Herbert; Wiersema, Jan R.; van der Meere, Jaap J.; Thompson, Margaret; Sonuga-Barke, Edmund

    2013-01-01

    Objective: Attention-deficit/hyperactivity disorder (ADHD) is associated with performance deficits across a broad range of tasks. Although individual tasks are designed to tap specific cognitive functions (e.g., memory, inhibition, planning, etc.), these deficits could also reflect general effects r

  20. Highlighting the impact of aging on type I collagen: label-free investigation using confocal reflectance microscopy and diffuse reflectance spectroscopy in 3D matrix model.

    Science.gov (United States)

    Guilbert, Marie; Roig, Blandine; Terryn, Christine; Garnotel, Roselyne; Jeannesson, Pierre; Sockalingum, Ganesh D; Manfait, Michel; Perraut, François; Dinten, Jean-Marc; Koenig, Anne; Piot, Olivier

    2016-02-23

    During aging, alterations of extracellular matrix proteins contribute to various pathological phenotypes. Among these alterations, type I collagen cross-linking and associated glycation products accumulation over time detrimentally affects its physico-chemical properties, leading to alterations of tissue biomechanical stability. Here, different-age collagen 3D matrices using non-destructive and label-free biophotonic techniques were analysed to highlight the impact of collagen I aging on 3D constructs, at macroscopic and microscopic levels. Matrices were prepared with collagens extracted from tail tendons of rats (newborns, young and old adults) to be within the physiological aging process. The data of diffuse reflectance spectroscopy reveal that aging leads to an inhibition of fibril assembly and a resulting decrease of gel density. Investigations by confocal reflectance microscopy highlight poor-fibrillar structures in oldest collagen networks most likely related to the glycation products accumulation. Complementarily, an infrared analysis brings out marked spectral variations in the Amide I profile, specific of the peptidic bond conformation and for carbohydrates vibrations as function of collagen-age. Interestingly, we also highlight an unexpected behavior for newborn collagen, exhibiting poorly-organized networks and microscopic features close to the oldest collagen. These results demonstrate that changes in collagen optical properties are relevant for investigating the incidence of aging in 3D matrix models.

  1. 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.

  2. Alternative Diffuse Lighting and Specular Reflection Approach Using YIQ Color Space for 3D Scene Visualization Using Programmable HLSL Shaders

    Directory of Open Access Journals (Sweden)

    Y. Kotsarenko

    2012-10-01

    Full Text Available In this work an alternative approach for diffuse lighting and specular reflections is presented that uses YIQ color spaceinstead of traditional RGB color space. The classical illumination algorithms that rely on RGB color space may lead tounrealistic results either due to the fact that they cannot make the original color brighter (inherent limitation imposedby using the RGB color space or produce incorrect shades when viewed from certain angles because in thecalculation of the specular reflection the original texture color is not taken into account.The approach proposed in this work gets around the problem by applying illumination in YIQ color space using its“luma” component (Y. In this novel approach the diffuse lighting is capable of increasing the perceived brightness ofthe source texture and the resulting color is always dependant on the surface’s texture and produces reasonablyrealistic results when viewed from any possible angle. The algorithm and its HLSL shader code are described in thiswork along with the experiments that illustrate the problem and the solution. The performance benchmarks are alsoprovided, showing that the proposed approach is a viable and realistic solution for applications running in real-time.

  3. 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.

  4. Surface photochemistry: Diffuse reflectance studies of thioketones included into p-tert-butylcalix[6 and 8]arenes

    Science.gov (United States)

    Vieira Ferreira, L. F.; Ferreira Machado, I.; Oliveira, A. S.; Da Silva, J. P.; Krawczyk, A.; Sikorski, M.

    2007-02-01

    This paper presents time resolved laser induced luminescence (LIL) and diffuse reflectance laser flash-photolysis (DRLFP) studies of solid powdered samples of xanthione (XT) and 4H-1-benzopyran-4-thione (BPT). These thioketones form inclusion complexes with p-tert-butylcalix[6]arene (CLX[6]) and p-tert-butylcalix[8]arene (CLX[8]). Room temperature air equilibrated LIL studies for XT/CLX[8] inclusion complex have shown the existence of both fluorescence and delayed fluorescence emission (S 2 → S 0 emissions in the nanosecond and microsecond time ranges, respectively) peaking at ca. 460 nm while phosphorescence peaks at about 670 nm with a half life of about 4 μs. For the BPT/CLX[8] inclusion complex, the emissions now peak at ca. 450 and 630 nm, respectively. When these two thioketones are included into the CLX[6] nanocavities similar luminescence spectra were detected. The phosphorescence spectra in all cases present a clear vibrational structure characteristic of non-polar environments, in accordance with the non-polar character of the calixarene's cavities. Diffuse reflectance transient absorption spectra revealed in all cases the presence of the triplet state of the thioketones and also of longer lived species. The use of chromatographic methods (GC-MS) allowed us to identify the formation of xanthone, chromone and hydroxy-thioketones following laser irradiation at 355 or 337 nm.

  5. Hybrid method for fast Monte Carlo simulation of diffuse reflectance from a multilayered tissue model with tumor-like heterogeneities.

    Science.gov (United States)

    Zhu, Caigang; Liu, Quan

    2012-01-01

    We present a hybrid method that combines a multilayered scaling method and a perturbation method to speed up the Monte Carlo simulation of diffuse reflectance from a multilayered tissue model with finite-size tumor-like heterogeneities. The proposed method consists of two steps. In the first step, a set of photon trajectory information generated from a baseline Monte Carlo simulation is utilized to scale the exit weight and exit distance of survival photons for the multilayered tissue model. In the second step, another set of photon trajectory information, including the locations of all collision events from the baseline simulation and the scaling result obtained from the first step, is employed by the perturbation Monte Carlo method to estimate diffuse reflectance from the multilayered tissue model with tumor-like heterogeneities. Our method is demonstrated to shorten simulation time by several orders of magnitude. Moreover, this hybrid method works for a larger range of probe configurations and tumor models than the scaling method or the perturbation method alone.

  6. Diffuse reflectance spectroscopy from 400-1600 nm to evaluate tumor resection margins during head and neck surgery (Conference Presentation)

    Science.gov (United States)

    Brouwer de Koning, Susan G.; Baltussen, E. J. M.; Karakullukcu, M. Baris; Smit, L.; van Veen, R. L. P.; Hendriks, Benno H. W.; Sterenborg, H. J. C. M.; Ruers, Theo J. M.

    2017-02-01

    This ex vivo study evaluates the feasibility of diffuse reflectance spectroscopy (DRS) for discriminating tumor from healthy oral tissue, with the aim to develop a technique that can be used to determine a complete excision of tumor through intraoperative margin assessment. DRS spectra were acquired on fresh surgical specimens from patients with an oral squamous cell carcinoma. The spectra represent a measure of diffuse light reflectance (wavelength range of 400-1600 nm), detected after illuminating tissue with a source fiber at 1.0 and 2.0 mm distances from a detection fiber. Spectra were obtained from 23 locations of tumor tissue and 16 locations of healthy muscle tissue. Biopsies were taken from all measured locations to facilitate an optimal correlation between spectra and pathological information. The area under the spectrum was used as a parameter to classify spectra of tumor and healthy tissue. Next, a receiver operating characteristics (ROC) analysis was performed to provide the area under the receiver operating curve (AUROC) as a measure for discriminative power. The area under the spectrum between 650 and 750 nm was used in the ROC analysis and provided AUROC values of 0.99 and 0.97, for distances of 1 mm and 2 mm between source and detector fiber, respectively. DRS can discriminate tumor from healthy oral tissue in an ex vivo setting. More specimens are needed to further evaluate this technique with component analyses and classification methods, prior to in vivo patient measurements.

  7. Nonlinear reconstruction of absorption and fluorescence contrast from measured diffuse transmittance and reflectance of a compressed-breast-simulating phantom.

    Science.gov (United States)

    Ziegler, Ronny; Nielsen, Tim; Koehler, Thomas; Grosenick, Dirk; Steinkellner, Oliver; Hagen, Axel; Macdonald, Rainer; Rinneberg, Herbert

    2009-08-20

    We report on the nonlinear reconstruction of local absorption and fluorescence contrast in tissuelike scattering media from measured time-domain diffuse reflectance and transmittance of laser as well as laser-excited fluorescence radiation. Measurements were taken at selected source-detector offsets using slablike diffusely scattering and fluorescent phantoms containing fluorescent heterogeneities. Such measurements simulate in vivo data that would be obtained employing a scanning, time-domain fluorescence mammograph, where the breast is gently compressed between two parallel glass plates, and source and detector optical fibers scan synchronously at various source-detector offsets, allowing the recording of laser and fluorescence mammograms. The diffusion equations modeling the propagation of the laser and fluorescence radiation were solved in frequency domain by the finite element method simultaneously for several modulation frequencies using Fourier transformation and preprocessed experimental data. To reconstruct the concentration of the fluorescent contrast agent, the Born approximation including higher-order reconstructed photon densities at the excitation wavelength was used. Axial resolution was determined that can be achieved by various detection schemes. We show that remission measurements increase the depth resolution significantly.

  8. 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.…

  9. In-Plane Thermal Diffusivity Measurement of Thin Films Based on the Alternating-Current Calorimetric Method Using an Optical Reflectivity Technique

    Institute of Scientific and Technical Information of China (English)

    黄正兴; 唐祯安; 许自强; 丁海涛; 顾毓沁

    2004-01-01

    An advanced ac calorimetric method to measure thermal diffusivity of a thin sample is developed by using an optical reflectivity technique. A modulated infrared laser is used to heat the front surface ofa foil specimen. The reflectivity of a continuous-wave He-Ne laser at the rear surface of the specimen is detected by a photoreceiver.According to the temperature dependence of reflectivity, the ac temperature response is obtained. Thermal diffusivity is deduced from a one-dimensional heat conduction equation. A stainless-steel foil and a copper foil are chosen as the samples. The present results agree well with the data in the literature.

  10. Diffuse reflectance spectroscopy for field-scale assessment of winter wheat yield

    Science.gov (United States)

    Šestak, Ivana; Mesić, Milan; Zgorelec, Željka; Perčin, Aleksandra

    2017-04-01

    The objective was to evaluate the ability of visible and near infrared spectroscopy to predict winter wheat grain yield, and to compare different prediction models according to the spatial variability. Research was conducted on experimental field in Western Pannonian subregion of Croatia. Reflectance measurements (350-1050 nm) were acquired from winter wheat flag leaves grown under nine mineral N fertilization treatments ranging from 0 to 300 kg N ha-1, during the stem extension stage of the year 2010. Linear statistical models (MLR - multiple linear regression, PLSR - partial least squares regression) and non-linear pattern analysis (ANN - artificial neural networks) were generated to estimate grain yield, based on the first derivative of reflectance in form of principal components (PC) and vegetation indices (VI). ANN models were the most efficient in capturing the complex link between yield and leaf reflectance spectra (train and test dataset with r = 0.95 and r = 0.92, RMSEC = 2.57 dt ha-1 and RMSEP = 4.41 dt ha-1, respectively) compared to corresponding VIs, MLR and PLSR models. Performance of the 8 factor PLSR model indicated the highest consistency due to the small difference between RMSEC (4.10 dt ha-1) and RMSEP (4.61 dt ha-1) besides high prediction ability (validation R2 = 0.84). Correlations between measured and predicted data were found to be significantly very strong and complete with the highest correlation coefficient obtained for ANN model (r = 0.94, p wheat yield was mapped using ordinary kriging for both measured and predicted values to explore within-field and intra-treatment differences in crop productivity needed for assessing good calibration model. Results indicated similarities between the maps generated from the equations and the one generated from field measurements, which is in agreement with high portion of yield variability explained by spectral data (p wheat yield spatial prediction was assessed by comparing the cross

  11. Investigation of applicability of a mid-infrared spectroscopic method using an attenuated total reflection accessory and a new near-infrared transmission method for determination of faecal fat

    NARCIS (Netherlands)

    Volmer, M; Kingma, AW; Borsboom, PCF; Wolthers, BG; Kema, IP

    2001-01-01

    In many laboratories, the titrimetric method of Van de Kamer is used for the analysis of faecal fat content of patients suspected of steatorrhoea. We investigated the applicability of a mid-infrared (MIR) spectroscopic method, using an attenuated total reflection (ATR) accessory, and a new near-infr

  12. Investigation of applicability of a mid-infrared spectroscopic method using an attenuated total reflection accessory and a new near-infrared transmission method for determination of faecal fat

    NARCIS (Netherlands)

    Volmer, M; Kingma, AW; Borsboom, PCF; Wolthers, BG; Kema, IP

    In many laboratories, the titrimetric method of Van de Kamer is used for the analysis of faecal fat content of patients suspected of steatorrhoea. We investigated the applicability of a mid-infrared (MIR) spectroscopic method, using an attenuated total reflection (ATR) accessory, and a new

  13. Dye analysis of Shosoin textiles using excitation-emission matrix fluorescence and ultraviolet-visible reflectance spectroscopic techniques.

    Science.gov (United States)

    Nakamura, Rikiya; Tanaka, Yoko; Ogata, Atsuhiko; Naruse, Masakazu

    2009-07-15

    The dyes of 8th century textiles, treasured for more than 1250 years in the Shosoin treasure repository in Japan, were analyzed by nondestructive methods, i.e., excitation-emission matrix (EEM) fluorescence and ultraviolet-visible (UV-vis) reflectance spectrometry, in combination with natural dye references extracted from plants, which have been widely used from ancient times. In this analysis, five dyes were found in the following objects: embroidered shoes dedicated to Great Buddha of the Todaiji temple by the empress of that time, the cloth lining for a case holding a mirror belonging to the emperor of that time, two rolls of yellow and light green plain-weave silks, and a sleeveless coat used for a musical in a Buddhist ceremony in 752 A.D. EEM fluorescence spectrometry distinguished kihada yellow (Amur cork tree), kariyasu yellow (eulalia), and akane red (Japanese madder). UV-vis spectrometry also distinguished kariyasu yellow, ai blue (knotweed), akane red, and shikon purple (murasaki); the characteristic peaks of these dyes were detected by a second derivatization. The results show that although the dyes used easily degrade with age, EEM fluorescence and UV-vis reflectance spectrometry are useful for distinguishing dyes used in the Shosoin textiles, which had been stored for more than 1250 years.

  14. Revealing the Nature and Distribution of Metal Carboxylates in Jackson Pollock's Alchemy (1947) by Micro-Attenuated Total Reflection FT-IR Spectroscopic Imaging.

    Science.gov (United States)

    Gabrieli, Francesca; Rosi, Francesca; Vichi, Alessandra; Cartechini, Laura; Pensabene Buemi, Luciano; Kazarian, Sergei G; Miliani, Costanza

    2017-01-17

    Protrusions, efflorescence, delamination, and opacity decreasing are severe degradation phenomena affecting oil paints with zinc oxide, one of the most common white pigments of the 20th century. Responsible for these dramatic alterations are the Zn carboxylates (also known as Zn soaps) originated by the interaction of the pigment and the fatty acids resulting from the hydrolysis of glycerides in the oil binding medium. Despite their widespread occurrence in paintings and the growing interest of the scientific community, the process of formation and evolution of Zn soaps is not yet fully understood. In this study micro-attenuated total reflection (ATR)-FT-IR spectroscopic imaging was required for the investigation at the microscale level of the nature and distribution of Zn soaps in the painting Alchemy by J. Pollock (1947, Peggy Guggenheim Collection, Venice) and for comparison with artificially aged model samples. For both actual samples and models, the role of AlSt(OH)2, a jellifying agent commonly added in 20th century paint tube formulations, proved decisive for the formation of zinc stearate-like (ZnSt2) soaps. It was observed that ZnSt2-like soaps first form around the added AlSt(OH)2 particles and then eventually grow within the whole painting stratigraphy as irregularly shaped particles. In some of the Alchemy samples, and diversely from the models, a peculiar distribution of ZnSt2 aggregates arranged as rounded and larger particles was also documented. Notably, in one of these samples, larger agglomerates of ZnSt2 expanding toward the support of the painting were observed and interpreted as the early stage of the formation of internal protrusions. Micro-ATR-FT-IR spectroscopic imaging, thanks to a very high chemical specificity combined with high spatial resolution, was proved to give valuable information for assessing the conservation state of irreplaceable 20th century oil paintings, revealing the chemical distribution of Zn soaps within the paint

  15. The joined use of n.i. spectroscopic analyses - FTIR, Raman, visible reflectance spectrometry and EDXRF - to study drawings and illuminated manuscripts

    Energy Technology Data Exchange (ETDEWEB)

    Bruni, S.; Guglielmi, V. [Universita degli Studi di Milano, Dipartimento di Chimica Inorganica, Metallorganica e Analitica, Milano (Italy); Caglio, S. [Dipartimento di analisi scientifiche, Open Care, Milano (Italy); Poldi, G. [Dipartimento di analisi scientifiche, Open Care, Milano (Italy); LAM, Universita degli Studi di Bergamo, Bergamo (Italy)

    2008-07-15

    Some art objects being small and very precious prevents conservators and conservation scientists from whatever kind of sampling, so that only completely non-invasive (n.i.) studies are permitted. Besides, also moving the object is sometimes forbidden: this happens for jewels as well as for manuscripts, illuminated codices, drawings and paintings. Some important physical n.i. analyses, such as PIXE and PIGE, therefore cannot be used in many cases. With these limitations, only imaging techniques in X, UV, Visible and IR bands, and a few spectroscopic methods that can be carried out with portable instruments can be applied, i.e. molecular spectroscopies like Fourier transform infrared (FTIR), Raman, UV visible and near IR reflectance spectrometry (UV-Vis-NIR RS) and atomic spectroscopy like energy dispersive X-ray fluorescence (EDXRF). The use of only one or two of these techniques is usually far from giving all the information required to achieve a full characterization of materials used by the artist or during restorations, and to understand some conservative problems of the object. On the contrary, a joined use of n.i. analyses can supply a larger set of data, allowing for cross checks. With this aim we show a fully integrated spectroscopic approach to polychrome objects, and, in particular, to drawings and illuminated manuscripts, using portable instruments, specifically {mu}-FTIR, {mu}-Raman, Vis-RS and EDXRF, where also the Raman signal does not suffer fluorescence caused by varnish coating and from binder. We propose the joined use of all these four physical analyses to characterize materials - support, pigments, dyes, binders, etc. - on a complex case: a painted and drawn parchment of the late 15th century, or the beginning of the 16th, partly attributed to Andrea Mantegna. The collected spectroscopic data have been compared to proper spectral databases, some of which specifically realized in our laboratories. Also, mixtures of pigments and their

  16. Quantum dynamics of adsorbed H2 in the microporous framework MOF-5 analyzed using diffuse reflectance infrared spectroscopy

    Science.gov (United States)

    Fitzgerald, S. A.; Allen, K.; Landerman, P.; Hopkins, J.; Matters, J.; Myers, R.; Rowsell, J. L. C.

    2008-06-01

    Diffuse reflectance infrared spectroscopy is used to measure the quantum dynamics of molecular hydrogen adsorbed in the microporous material MOF-5. Low-temperature spectra reveal at least three distinct binding sites. The induced redshifts in the vibrational mode frequencies allow the estimation of site-specific binding energies ranging from 2.5 to 4 kJ/mol. Splittings in the rovibrational sidebands are consistent with the existing theories and indicate that H2 is relatively freely rotating even at temperatures as low as 10 K. Ortho to para conversion of the adsorbed H2 is observed to occur over the course of several hours. A translational sideband of 84cm-1 arises from the center-of-mass motion of H2 at the primary adsorption site and indicates that the zero-point energy is a substantial fraction of the binding energy of this site.

  17. Parameterization using Fourier series expansion of the diffuse reflectance of human skin to vary the concentration of the melanocytes

    Science.gov (United States)

    Narea, J. Freddy; Muñoz, Aarón A.; Castro, Jorge; Muñoz, Rafael A.; Villalba, Caroleny E.; Martinez, María. F.; Bravo, Kelly D.

    2013-11-01

    Human skin has been studied in numerous investigations, given the interest in knowing information about physiology, morphology and chemical composition. These parameters can be determined using non invasively optical techniques in vivo, such as the diffuse reflectance spectroscopy. The human skin color is determined by many factors, but primarily by the amount and distribution of the pigment melanin. The melanin is produced by the melanocytes in the basal layer of the epidermis. This research characterize the spectral response of the human skin using the coefficients of Fourier series expansion. Simulating the radiative transfer equation for the Monte Carlo method to vary the concentration of the melanocytes (fme) in a simplified model of human skin. It fits relating the Fourier series coefficient a0 with fme. Therefore it is possible to recover the skin biophysical parameter.

  18. 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.

  19. [Discriminant analysis of near infrared diffuse reflectance spectra to detect adulteration of non-ruminant meat and bone meal].

    Science.gov (United States)

    Li, Qiong-Fei; Yang, Zeng-Ling; Han, Lu-Jia

    2008-03-01

    In order to study the feasibility of using near infrared (NIR) diffuse reflectance spectroscopy to discriminate adultera tion of non-ruminant meat and bone meal (MBM) with ruminant MBM, a total of 39 MBM samples made up of 15 from pig, 15 from poultry, 5 from cattle and 4 from sheep produced in different areas in China were chosen. The MBM samples were ground with 0. 5 mm sieve. 252 specimens were prepared by non-ruminant MBM deliberately adulterated with different proportion of ruminant MBM. The specimens were scanned by FOSS NIRSystem 6500. A calibration set of 180 specimens and an independent validation set of 72 specimens were randomly selected by the WINISI software. Discriminant analysis model was developed by partial least squares (PLS) on the calibration set and validated with independent validation set. The best discriminant model was obtained using standard normal variate and detrend (SNVD) and second derivative for spectrum pretreatment; this model had a coefficient of determination (R2(CV)) of 0.83 and a standard error of cross-validation (SECV) of 0. 147 1. For the independent validation set, the correct classification rate is 90%. There were a false negative specimen (0.5%) and two uncertain specimens (1%, 1.5%) in validation set. Results showed that it is feasible to use NIR diffuse reflectance spectroscopy to discriminate adulteration of non-ruminant MBM with ruminant MBM, but for specimens adulterated with ruminant MBM at less than 2%, the accuracy of calibration model needs to be improved. NIR was a rapid and non-destructive approach to discriminating adulteration of non-ruminant MBM with ruminant MIBM.

  20. Self-consistent iteration procedure in analyzing reflectivity and spectroscopic ellipsometry data of multilayered materials and their interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Asmara, T. C.; Rusydi, A., E-mail: phyandri@nus.edu.sg [NUSNNI-NanoCore, Singapore Synchrotron Light Source, and Department of Physics, National University of Singapore, Singapore 117576 (Singapore); Santoso, I. [NUSNNI-NanoCore, Singapore Synchrotron Light Source, and Department of Physics, National University of Singapore, Singapore 117576 (Singapore); Jurusan Fisika, FMIPA, Universitas Gadjah Mada, BLS 21 Yogyakarta 55281 (Indonesia)

    2014-12-15

    For multilayered materials, reflectivity depends on the complex dielectric function of all the constituent layers, and a detailed analysis is required to separate them. Furthermore, for some cases, new quantum states can occur at the interface which may change the optical properties of the material. In this paper, we discuss various aspects of such analysis, and present a self-consistent iteration procedure, a versatile method to extract and separate the complex dielectric function of each individual layer of a multilayered system. As a case study, we apply this method to LaAlO{sub 3}/SrTiO{sub 3} heterostructure in which we are able to separate the effects of the interface from the LaAlO{sub 3} film and the SrTiO{sub 3} substrate. Our method can be applied to other complex multilayered systems with various numbers of layers.

  1. 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.

  2. Optical properties of normal and thermally coagulated chicken liver tissue measured ex-vivo with diffuse reflectance

    Science.gov (United States)

    Hafeez-Ullah; Atif, M.; Firdous, S.; Mehmood, M. S.; Hamza, M. Y.; Imran, M.; Hussain, G.; Ikram, M.

    2011-02-01

    The purpose of the present study is to determine the optical properties of normal and thermally coagulated chicken liver at 720, 740, 770, 810, 825 and 840 nm wavelengths of laser irradiation. So, we were able to evaluate these optical properties (absorption and scattering coefficients) with ex-vivo study using Kubelka Munk Model (KMM) from the radial dependence of the diffuse reflectance with femtosecond pulsed laser in near IR region. These coefficients were significantly increased with coagulation. The penetration depths of the diffused light have been reported to a maximum value of 8.12 ± 0.36 mm in normal liver and 2.49 ± 0.17 mm in coagulated liver at 840 nm showing increasing behavior towards IR region. The Monte Carlo simulation was used to check the theoretical validation of measured optical properties of the tissue that showed a good match with our experimental results. We believe that these differences in optical properties will be helpful for the understanding arid optimal use of laser applications in medicine and differential diagnosis of tissues by using different optical methods. Especially for the investigation of biological tissue for photodynamic therapy (PDT), the knowledge of the specific optical properties and their thermo-induced changes is important.

  3. Callosal function in MS patients with mild and severe callosal damage as reflected by diffusion tensor imaging.

    Science.gov (United States)

    Warlop, Nele P; Fieremans, Els; Achten, Eric; Debruyne, Jan; Vingerhoets, Guy

    2008-08-21

    In this study, callosal function was behaviourally tested in MS patients with a redundant stimuli task. Reaction times to uni- and bilateral visual stimuli are recorded. Normal subjects respond faster to bilateral than to unilateral stimuli. This effect is called the redundancy gain effect. In patients with agenesis of the corpus callosum, the redundancy gain exceeds that predicted by probability summation, suggesting a mediating influence of the corpus callosum in healthy controls. The aim of this study is to investigate the effect of callosal damage on the redundancy gain in MS patients by investigating the probability summation model. Seventeen MS patients and as many matched healthy controls performed the redundancy gain task. In order to objectify callosal damage in our MS group, diffusion tensor imaging (DTI) derived measures such as fractional anisotropy (FA) and mean diffusivity (MD) in the corpus callosum were obtained. Callosal FA and MD significantly differed in our MS group compared to the healthy controls, indicating pathological callosal involvement. Since the amount of callosal damage was highly variable within the MS group, the MS cohort was split into a low and a high callosal-injured group as quantified by FA. The high FA group performed like the healthy controls, whereas violations of the probability (race) model were found for the low FA group. We conclude that behavioural measures obtained by the redundancy gain paradigm reflect callosal pathology in MS as measured by DTI.

  4. Ultrafast charge separation dynamics in opaque, operational dye-sensitized solar cells revealed by femtosecond diffuse reflectance spectroscopy

    Science.gov (United States)

    Ghadiri, Elham; Zakeeruddin, Shaik M.; Hagfeldt, Anders; Grätzel, Michael; Moser, Jacques-E.

    2016-04-01

    Efficient dye-sensitized solar cells are based on highly diffusive mesoscopic layers that render these devices opaque and unsuitable for ultrafast transient absorption spectroscopy measurements in transmission mode. We developed a novel sub-200 femtosecond time-resolved diffuse reflectance spectroscopy scheme combined with potentiostatic control to study various solar cells in fully operational condition. We studied performance optimized devices based on liquid redox electrolytes and opaque TiO2 films, as well as other morphologies, such as TiO2 fibers and nanotubes. Charge injection from the Z907 dye in all TiO2 morphologies was observed to take place in the sub-200 fs time scale. The kinetics of electron-hole back recombination has features in the picosecond to nanosecond time scale. This observation is significantly different from what was reported in the literature where the electron-hole back recombination for transparent films of small particles is generally accepted to occur on a longer time scale of microseconds. The kinetics of the ultrafast electron injection remained unchanged for voltages between +500 mV and -690 mV, where the injection yield eventually drops steeply. The primary charge separation in Y123 organic dye based devices was clearly slower occurring in two picoseconds and no kinetic component on the shorter femtosecond time scale was recorded.

  5. X-ray reflectivity and diffuse studies of lipid bilayer stacks on solid substrates

    Science.gov (United States)

    Chen, Gang; Mukhopadhyay, M.; Ma, Y.; Sinha, Sunil K.; Decaro, C.; Berry, J.; Lurio, Laurence B.; Jiang, Z.; Brozell, A.; Bricarello, D.; Parikh, Atul N.

    2010-03-01

    Recently, major efforts have been made to study model lipid membranes supported on a solid substrate. A typical bilayer is characterized by its static structure and dynamic thermal fluctuations which are described by three physical quantities, the bending modulus, the surface tension, and the external potential due to a nearby surface or neighboring bilayers. The solid substrate affects both the static and dynamic behaviors of the bilayer deposited on its top. We have carried out a systematic study of 1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine (DPPE) bilayer stacks up to five bilayers prepared with Langmuir-Blodgett (LB) and Langmuir-Schaeffer (LS) methods. A complete picture of the static bilayer structure, both in-plane and out of plane, and the dynamic fluctuations as a function of temperature and the number of stacks, i.e., the distance from the substrate, is obtained with x-ray reflectivity, Grazing Incidence Small Angle X-ray Scattering (GISAXS), and rocking scans. (Work supported by NSF, DMR0706369)

  6. A Quantitative Diffuse Reflectance Imaging (QDRI) System for Comprehensive Surveillance of the Morphological Landscape in Breast Tumor Margins.

    Science.gov (United States)

    Nichols, Brandon S; Schindler, Christine E; Brown, Jonathon Q; Wilke, Lee G; Mulvey, Christine S; Krieger, Marlee S; Gallagher, Jennifer; Geradts, Joseph; Greenup, Rachel A; Von Windheim, Jesko A; Ramanujam, Nirmala

    2015-01-01

    In an ongoing effort to address the clear clinical unmet needs surrounding breast conserving surgery (BCS), our group has developed a next-generation multiplexed optical-fiber-based tool to assess breast tumor margin status during initial surgeries. Specifically detailed in this work is the performance and clinical validation of a research-grade intra-operative tool for margin assessment based on diffuse optical spectroscopy. Previous work published by our group has illustrated the proof-of-concept generations of this device; here we incorporate a highly optimized quantitative diffuse reflectance imaging (QDRI) system utilizing a wide-field (imaging area = 17 cm(2)) 49-channel multiplexed fiber optic probe, a custom raster-scanning imaging platform, a custom dual-channel white LED source, and an astronomy grade imaging CCD and spectrograph. The system signal to noise ratio (SNR) was found to be greater than 40 dB for all channels. Optical property estimation error was found to be less than 10%, on average, over a wide range of absorption (μa = 0-8.9 cm(-1)) and scattering (μs' = 7.0-9.7 cm(-1)) coefficients. Very low inter-channel and CCD crosstalk was observed (2% max) when used on turbid media (including breast tissue). A raster-scanning mechanism was developed to achieve sub-pixel resolution and was found to be optimally performed at an upsample factor of 8, affording 0.75 mm spatially resolved diffuse reflectance images (λ = 450-600 nm) of an entire margin (area = 17 cm(2)) in 13.8 minutes (1.23 cm(2)/min). Moreover, controlled pressure application at the probe-tissue interface afforded by the imaging platform reduces repeated scan variability, providing maps of the ratio of the β-carotene concentration to the reduced scattering coefficient. An empirical cumulative distribution function (eCDF) analysis is used to reduce optical property maps to quantitative distributions representing the morphological landscape of breast tumor margins. The optimizations

  7. A Quantitative Diffuse Reflectance Imaging (QDRI System for Comprehensive Surveillance of the Morphological Landscape in Breast Tumor Margins.

    Directory of Open Access Journals (Sweden)

    Brandon S Nichols

    Full Text Available In an ongoing effort to address the clear clinical unmet needs surrounding breast conserving surgery (BCS, our group has developed a next-generation multiplexed optical-fiber-based tool to assess breast tumor margin status during initial surgeries. Specifically detailed in this work is the performance and clinical validation of a research-grade intra-operative tool for margin assessment based on diffuse optical spectroscopy. Previous work published by our group has illustrated the proof-of-concept generations of this device; here we incorporate a highly optimized quantitative diffuse reflectance imaging (QDRI system utilizing a wide-field (imaging area = 17 cm(2 49-channel multiplexed fiber optic probe, a custom raster-scanning imaging platform, a custom dual-channel white LED source, and an astronomy grade imaging CCD and spectrograph. The system signal to noise ratio (SNR was found to be greater than 40 dB for all channels. Optical property estimation error was found to be less than 10%, on average, over a wide range of absorption (μa = 0-8.9 cm(-1 and scattering (μs' = 7.0-9.7 cm(-1 coefficients. Very low inter-channel and CCD crosstalk was observed (2% max when used on turbid media (including breast tissue. A raster-scanning mechanism was developed to achieve sub-pixel resolution and was found to be optimally performed at an upsample factor of 8, affording 0.75 mm spatially resolved diffuse reflectance images (λ = 450-600 nm of an entire margin (area = 17 cm(2 in 13.8 minutes (1.23 cm(2/min. Moreover, controlled pressure application at the probe-tissue interface afforded by the imaging platform reduces repeated scan variability, providing <1% variation across repeated scans of clinical specimens. We demonstrate the clinical utility of this device through a pilot 20-patient study of high-resolution optical parameter maps of the ratio of the β-carotene concentration to the reduced scattering coefficient. An empirical cumulative

  8. 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.

  9. The discrimination potential of diffuse-reflectance ultraviolet-visible-near infrared spectrophotometry for the forensic analysis of paper.

    Science.gov (United States)

    Causin, Valerio; Casamassima, Rosario; Marruncheddu, Gaia; Lenzoni, Gioia; Peluso, Giuseppe; Ripani, Luigi

    2012-03-10

    The application of diffuse reflectance UV-VIS-NIR spectroscopy is proposed to differentiate 20 office paper samples, which had been deemed similar by a preliminary visual examination under several different lighting sources. The samples were firstly screened on the basis of the qualitative appearance of their spectra. A further discrimination was obtained by taking into account three parameters: the average reflectivity of the paper samples in the range 680-900nm, and the integrated intensity of the absorption peak in the UV range at 272nm and at 360nm. The homogeneity of these parameters on both sides of the paper sheets was assessed, detecting a very uniform distribution of the optical brighteners. A special focus was posed on the determination of the discriminative power, in order to give a quantitative parameter on the proposed procedure, which is important when reporting results to the Court. The remarkable achievement of differentiating all the examined samples was obtained by UV-VIS spectroscopy, a very less expensive technique which is readily available in practically all forensic laboratories.

  10. 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

    2016-01-01

    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. PMID:27721398

  11. Infrared reflection absorption spectroscopic study on the adsorption structures of acrylonitrile on Ag(111) and Ag(110) surfaces

    Science.gov (United States)

    Osaka, Naoki; Akita, Masato; Hiramoto, Shuji; Itoh, Koichi

    1999-06-01

    Infrared reflection-absorption spectra in CN stretching, CH 2 out-of-plane wagging and CH 2 twisting vibration regions were measured for acrylonitrile (CH 2CHCN) exposed to Ag(111) and Ag(110) in increasing amounts at 77 K. The adsorbate on Ag(111) takes on a series of discrete adsorption states; i.e., an isolated state, associated states, and ordered and amorphous multilayer states. The adsorbate on Ag(110) at lower exposures is in a state with the CN group weakly coordinated to a silver atom (or silver atoms). The adsorbate on Ag(110) takes the associated state and the amorphous multilayer at larger exposures. On raising the temperature to 96 K, the amorphous states on both Ag(111) and Ag(110) are converted to the ordered multilayer. The desorption temperature of the ordered multilayer is below 99 K for Ag(110), while the temperature is above 107 K for Ag(111); the result indicates the effect of the surface morphology on the stability of the ordered state.

  12. Limitations of the commonly used simplified laterally uniform optical fiber probe-tissue interface in Monte Carlo simulations of diffuse reflectance.

    Science.gov (United States)

    Naglič, Peter; Pernuš, Franjo; Likar, Boštjan; Bürmen, Miran

    2015-10-01

    Light propagation models often simplify the interface between the optical fiber probe tip and tissue to a laterally uniform boundary with mismatched refractive indices. Such simplification neglects the precise optical properties of the commonly used probe tip materials, e.g. stainless steel or black epoxy. In this paper, we investigate the limitations of the laterally uniform probe-tissue interface in Monte Carlo simulations of diffuse reflectance. In comparison to a realistic probe-tissue interface that accounts for the layout and properties of the probe tip materials, the simplified laterally uniform interface is shown to introduce significant errors into the simulated diffuse reflectance.

  13. Improving the accuracy of a solid spherical source radius and depth estimation using the diffusion equation in fluorescence reflectance mode

    Directory of Open Access Journals (Sweden)

    Stuker Florian

    2010-06-01

    Full Text Available Abstract Background Non-invasive planar fluorescence reflectance imaging (FRI is used for accessing physiological and molecular processes in biological tissue. This method is efficiently used to detect superficial fluorescent inclusions. FRI is based on recording the spatial radiance distribution (SRD at the surface of a sample. SRD provides information for measuring structural parameters of a fluorescent source (such as radius and depth. The aim of this article is to estimate the depth and radius of the source distribution from SRD, measured at the sample surface. For this reason, a theoretical expression for the SRD at the surface of a turbid sample arising from a spherical light source embedded in the sample, was derived using a steady-state solution of the diffusion equation with an appropriate boundary condition. Methods The SRD was approximated by solving the diffusion equation in an infinite homogeneous medium with solid spherical sources in cylindrical geometry. Theoretical predications were verified by experiments with fluorescent sources of radius 2-6 mm embedded at depths of 2-4 mm in a tissue-like phantom. Results The experimental data were compared with the theoretical values which shows that the root mean square (RMS error in depth measurement for nominal depth values d = 2, 2.5, 3, 3.5, 4 mm amounted to 17%, 5%, 2%, 1% and 5% respectively. Therefore, the average error in depth estimation was ≤ 4% for depths larger than the photon mean free path. Conclusions An algorithm is proposed that allows estimation of the location and radius of a spherical source in a homogeneous tissue-like phantom by accounting for anisotropic light scattering effect using FRI modality. Surface SRD measurement enabled accurate estimates of fluorescent depth and radius in FRI modality, and can be used as an element of a more general tomography reconstruction algorithm.

  14. Visible and Near-Infrared Diffuse Reflectance Spectroscopy for Prediction of Soil Properties near a Copper Smelter

    Institute of Scientific and Technical Information of China (English)

    XIE Xian-Li; PAN Xian-Zhang; SUN Bo

    2012-01-01

    Spatial and temporal monitoring of soil properties in smelting regions requires collection of a large number of samples followed by laboratory cumbersome and time-consuming measurements.Visible and near-infrared diffuse reflectance spectroscopy (VNIR-DRS) provides a rapid and inexpensive tool to predict various soil properties simultaneously.This study evaluated the suitability of VNIR-DRS for predicting soil properties,including organic matter (OM),pH,and heavy metals (Cu,Pb,Zn,Cd,and Fe),using a total of 254 samples collected in soil profiles near a large copper smelter in China.Partial least square regression (PLSR) with cross-validation was used to relate soil property data to the reflectance spectral data by applying different preprocessing strategies.The performance of VNIR-DRS calibration models was evaluated using the coefficient of determination in cross-validation (Rcv2) and the ratio of standard deviation to the root mean standard error of cross-validation (SD/RMSEcv).The models provided fairly accurate predictions for OM and Fe (Rcv2 > 0.80,SD/RMSEcv > 2.00),less accurate but acceptable for screening purposes for pH,Cu,Pb,and Cd (050 < Rcv2 < 0.80,1.40 < SD/RMSEcv < 2.00),and poor accuracy for Zn (Rcv2< 0.50,SD/RMSEcv < 1.40).Because soil properties in contaminated areas generally show large variation,a comparative large number of calibrating samples,which are variable enough and uniformly distributed,are necessary to create more accurate and robust VNIR-DRS calibration models.This study indicated that VNIR-DRS technique combined with continuously enriched soil spectral library could be a nondestructive alternative for soil environment monitoring.

  15. Comparison of ultraviolet Bi-directional Reflectance Distribution Function (BRDF) measurements of diffusers used in the calibration of the Total Ozone Mapping Spectrometer (TOMS)

    NARCIS (Netherlands)

    Butler, J.J.; Park, H.; Barnes, P.Y.; Early, E.A.; Eijk-Olij, C. van; Zoutman, A.E.; Buller-Leeuwen, S. van; Groote Schaarsberg, J.

    2002-01-01

    The measurement and long-term monitoring of global total ozone by ultraviolet albedo measuring satellite instruments require accurate and precise determination of the Bi-directional Reflectance Distribution Function (BRDF) of laboratory-based diffusers used in the pre-launch calibration of those ins

  16. Comparison of ultraviolet Bi-directional Reflectance Distribution Function (BRDF) measurements of diffusers used in the calibration of the Total Ozone Mapping Spectrometer (TOMS)

    NARCIS (Netherlands)

    Butler, J.J.; Park, H.; Barnes, P.Y.; Early, E.A.; Eijk-Olij, C. van; Zoutman, A.E.; Buller-Leeuwen, S. van; Groote Schaarsberg, J.

    2002-01-01

    The measurement and long-term monitoring of global total ozone by ultraviolet albedo measuring satellite instruments require accurate and precise determination of the Bi-directional Reflectance Distribution Function (BRDF) of laboratory-based diffusers used in the pre-launch calibration of those

  17. Political Entrepreneurialism: Reflections of a Civil Servant on the Role of Political Institutions in Technology Innovation and Diffusion in Kenya

    Directory of Open Access Journals (Sweden)

    Elijah Bitange Ndemo

    2015-03-01

    Full Text Available This paper narrates how an innovative political institution in Kenya gained support from private sector players in the Information and Communications Technology (ICT sector. The paper is centered on the reflections of a top civil servant who leveraged Lewin’s theoretical foundations and leadership to propel Kenya from obscurity to global renown in the ICT arena. The paper details the leadership of key players in the political system explaining on how their tolerance for risk encouraged ICT diffusion and innovation in Kenya. The paper delves into the details of executive decision making and how those decisions influence different stakeholders. The analysis reveals why Kenya succeeded where its neighbours did not. It shows that Kenya’s continued success in ICTs depends upon its stability – endemic corruption and previous political decisions could threaten this. The paper will also highlight the emergence of a new crop of innovators developing new applications across all sectors including education, health, agriculture and financial services.

  18. 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.

  19. Benefits of applying combined diffuse reflectance FTIR spectroscopy and principal component analysis for the study of blue tempera historical painting.

    Science.gov (United States)

    Navas, Natalia; Romero-Pastor, Julia; Manzano, Eloisa; Cardell, Carolina

    2008-12-23

    This paper explores the application of diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) to the examination of historic blue pigments and blue tempera paintings commonly found on works of art. The discussion is mainly focused on the practical benefits of using this technique joined to principal component analysis (PCA), a powerful multivariate analysis tool. Thanks to the study of several replica samples that contain either pure blue pigments (azurite, lapis lazuli and smalt), or pure binder (rabbit glue) and mixtures of each of the pigments with the binder (tempera samples), different aspects of these benefits are highlighted. Comparative results of direct spectra and multivariate analysis using transmittance-Fourier transform infrared spectroscopy (T-FTIR) are discussed throughout this study. Results showed an excellent ability of PCA on DRIFT spectra for discriminating replica samples according to differing composition. Several IR regions were tested with this aim; the fingerprint IR region exhibited the best ability for successfully clustering the samples. The presence of the binder was also discriminated. Only using this approach it was possible to completely separate all the studied replica samples. This demonstrates the potential benefits of this approach in identifying historical pigments and binders for conservation and restoration purposes in the field of Cultural Heritage.

  20. Ecological risk assessment on heavy metals in soils: Use of soil diffuse reflectance mid-infrared Fourier-transform spectroscopy

    Science.gov (United States)

    Wang, Cheng; Li, Wei; Guo, Mingxing; Ji, Junfeng

    2017-02-01

    The bioavailability of heavy metals in soil is controlled by their concentrations and soil properties. Diffuse reflectance mid-infrared Fourier-transform spectroscopy (DRIFTS) is capable of detecting specific organic and inorganic bonds in metal complexes and minerals and therefore, has been employed to predict soil composition and heavy metal contents. The present study explored the potential of DRIFTS for estimating soil heavy metal bioavailability. Soil and corresponding wheat grain samples from the Yangtze River Delta region were analyzed by DRIFTS and chemical methods. Statistical regression analyses were conducted to correlate the soil spectral information to the concentrations of Cd, Cr, Cu, Zn, Pb, Ni, Hg and Fe in wheat grains. The principal components in the spectra influencing soil heavy metal bioavailability were identified and used in prediction model construction. The established soil DRIFTS-based prediction models were applied to estimate the heavy metal concentrations in wheat grains in the mid-Yangtze River Delta area. The predicted heavy metal concentrations of wheat grain were highly consistent with the measured levels by chemical analysis, showing a significant correlation (r2 > 0.72) with acceptable root mean square error RMSE. In conclusion, DRIFTS is a promising technique for assessing the bioavailability of soil heavy metals and related ecological risk.

  1. 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.

  2. Ecological risk assessment on heavy metals in soils: Use of soil diffuse reflectance mid-infrared Fourier-transform spectroscopy

    Science.gov (United States)

    Wang, Cheng; Li, Wei; Guo, Mingxing; Ji, Junfeng

    2017-01-01

    The bioavailability of heavy metals in soil is controlled by their concentrations and soil properties. Diffuse reflectance mid-infrared Fourier-transform spectroscopy (DRIFTS) is capable of detecting specific organic and inorganic bonds in metal complexes and minerals and therefore, has been employed to predict soil composition and heavy metal contents. The present study explored the potential of DRIFTS for estimating soil heavy metal bioavailability. Soil and corresponding wheat grain samples from the Yangtze River Delta region were analyzed by DRIFTS and chemical methods. Statistical regression analyses were conducted to correlate the soil spectral information to the concentrations of Cd, Cr, Cu, Zn, Pb, Ni, Hg and Fe in wheat grains. The principal components in the spectra influencing soil heavy metal bioavailability were identified and used in prediction model construction. The established soil DRIFTS-based prediction models were applied to estimate the heavy metal concentrations in wheat grains in the mid-Yangtze River Delta area. The predicted heavy metal concentrations of wheat grain were highly consistent with the measured levels by chemical analysis, showing a significant correlation (r2 > 0.72) with acceptable root mean square error RMSE. In conclusion, DRIFTS is a promising technique for assessing the bioavailability of soil heavy metals and related ecological risk. PMID:28198802

  3. Evaluation of Diffuse Reflection Infrared Spectrometry for End-of-Shift Measurement of α-quartz in Coal Dust Samples.

    Science.gov (United States)

    Miller, Arthur L; Murphy, Nathaniel C; Bayman, Sean J; Briggs, Zachary P; Kilpatrick, Andrew D; Quinn, Courtney A; Wadas, Mackenzie R; Cauda, Emanuele G; Griffiths, Peter R

    2015-01-01

    The inhalation of toxic substances is a major threat to the health of miners, and dust containing respirable crystalline silica (α-quartz) is of particular concern, due to the recent rise in cases of coal workers' pneumoconiosis and silicosis in some U.S. mining regions. Currently, there is no field-portable instrument that can measure airborne α-quartz and give miners timely feedback on their exposure. The U.S. National Institute for Occupational Safety and Health (NIOSH) is therefore conducting studies to investigate technologies capable of end-of-shift or real-time measurement of airborne quartz. The present study focuses on the potential application of Fourier transform infrared (FT-IR) spectrometry conducted in the diffuse reflection (DR) mode as a technique for measuring α-quartz in respirable mine dust. A DR accessory was used to analyze lab-generated respirable samples of Min-U-Sil 5 (which contains more than 90% α-quartz) and coal dust, at mass loadings in the ranges of 100-600 μg and 600-5300 μg, respectively. The dust samples were deposited onto three different types of filters, borosilicate fiberglass, nylon, and polyvinyl chloride (PVC). The reflectance, R, was calculated by the ratio of a blank filter and a filter with deposited mine dust. Results suggest that for coal and pure quartz dusts deposited on 37 mm PVC filters, measurements of -log R correlate linearly with known amounts of quartz on filters, with R(2) values of approximately 0.99 and 0.94, respectively, for samples loaded up to ∼4000 μg. Additional tests were conducted to measure quartz in coal dusts deposited onto the borosilicate fiberglass and nylon filter media used in the NIOSH-developed Personal Dust Monitor (PDM). The nylon filter was shown to be amenable to DR analysis, but quantification of quartz is more accurate when the filter is "free," as opposed to being mounted in the PDM filter holder. The borosilicate fiberglass filters were shown to produce excessive

  4. On-orbit calibration of Visible Infrared Imaging Radiometer Suite reflective solar bands and its challenges using a solar diffuser.

    Science.gov (United States)

    Sun, Junqiang; Wang, Menghua

    2015-08-20

    The reflective solar bands (RSBs) of the Visible Infrared Imaging Radiometer Suite (VIIRS) on board the Suomi National Polar-Orbiting Partnership satellite are calibrated by a solar diffuser (SD) panel whose performance is itself monitored by an accompanying solar diffuser stability monitor (SDSM). In this comprehensive work we describe the SD-based calibration algorithm of the RSBs, analyze the calibration data, and derive the performance results-the RSB calibration coefficients or F-factors-for the current three and a half years of mission. The application of the newly derived product of the SD bidirectional reflectance factor and the vignetting function for the SD screen and the newly derived SD degradation, so-called H-factors, effectively minimizes the artificial seasonal patterns in the RSB calibration coefficients due to the errors of these ingredient inputs. The full illumination region, the "sweet spot," during calibration events for SD view is carefully examined and selected to ensure high data quality and to reduce noise owing to non-fully illuminated samples. A time-dependent relative spectral response (RSR), coming from the large out-of-band contribution and the VIIRS optical system wavelength-dependent degradation, is derived from an iterative approach and applied in the SD calibration for each RSB. The result shows that VIIRS RSBs degrade much faster at near-infrared (NIR) and shortwave-infrared (SWIR) wavelength ranges due to the faster degradation of the rotating telescope assembly against the remaining part of the system. The gains of the VIIRS RSBs have degraded 2.0% (410 nm, Band M1), 0.2% (443 nm, Band M2), -0.3% (486 nm, Band M3), 0.2% (551 nm, Band M4), 6.2% (640 nm, Band I1), 11.0% (671 nm, Band M5), 21.3% (745 nm, Band M6), 35.8% (862 nm, Band I2), and 35.8% (862 nm, Band M7), respectively, since launch and 24.8% (1238 nm, Band M8), 18.5% (1378 nm, Band M9), 11.5% (1610 nm, Band I3), 11.5% (1610, Band M10), and 4.0% (2250

  5. Classification and quantification analysis of peach kernel from different origins with near-infrared diffuse reflection spectroscopy

    Directory of Open Access Journals (Sweden)

    Wei Liu

    2014-01-01

    Full Text Available Background: Peach kernels which contain kinds of fatty acids play an important role in the regulation of a variety of physiological and biological functions. Objective: To establish an innovative and rapid diffuse reflectance near-infrared spectroscopy (DR-NIR analysis method along with chemometric techniques for the qualitative and quantitative determination of a peach kernel. Materials and Methods: Peach kernel samples from nine different origins were analyzed with high-performance liquid chromatography (HPLC as a reference method. DR-NIR is in the spectral range 1100-2300 nm. Principal component analysis (PCA and partial least squares regression (PLSR algorithm were applied to obtain prediction models, The Savitzky-Golay derivative and first derivative were adopted for the spectral pre-processing, PCA was applied to classify the varieties of those samples. For the quantitative calibration, the models of linoleic and oleinic acids were established with the PLSR algorithm and the optimal principal component (PC numbers were selected with leave-one-out (LOO cross-validation. The established models were evaluated with the root mean square error of deviation (RMSED and corresponding correlation coefficients (R2 . Results: The PCA results of DR-NIR spectra yield clear classification of the two varieties of peach kernel. PLSR had a better predictive ability. The correlation coefficients of the two calibration models were above 0.99, and the RMSED of linoleic and oleinic acids were 1.266% and 1.412%, respectively. Conclusion: The DR-NIR combined with PCA and PLSR algorithm could be used efficiently to identify and quantify peach kernels and also help to solve variety problem.

  6. Noninvasive Phosphorus Magnetic Resonance Spectroscopic Imaging Predicts Outcome to First-line Chemotherapy in Newly Diagnosed Patients with Diffuse Large B-Cell Lymphoma

    NARCIS (Netherlands)

    Arias-Mendoza, F.; Payne, G.S.; Zakian, K.; Stubbs, M.; O'Connor, O.A.; Mojahed, H.; Smith, M.R.; Schwarz, A.J.; Shukla-Dave, A.; Howe, F.; Poptani, H.; Lee, S.-C.; Pettengel, R.; Schuster, S.J.; Cunningham, D.; Heerschap, A.; Glickson, J.D.; Griffiths, J.R.; Koutcher, J.A.; Leach, M.O.; Brown, T.R.

    2013-01-01

    Based on their association with malignant proliferation, using noninvasive phosphorus MR spectroscopic imaging ((31)P MRSI), we measured the tumor content of the phospholipid-related phosphomonoesters (PME), phosphoethanolamine and phospholcholine, and its correlation with treatment outcome in newly

  7. Measurements of diagnostic examination performance using quantitative apparent diffusion coefficient and proton MR spectroscopic imaging in the preoperative evaluation of tumor grade in cerebral gliomas

    Energy Technology Data Exchange (ETDEWEB)

    Server, Andres, E-mail: a.s.alonso@medisin.uio.no [Section of Neuroradiology, Department of Radiology and Nuclear Medicine, Oslo University Hospital-Ullevaal and University of Oslo, Kirkeveien 166, NO-0407 Oslo (Norway); Kulle, Bettina, E-mail: b.k.andreassen@medisin.uio.no [Department of Biostatistics, University of Oslo, Oslo (Norway); Gadmar, Oystein B., E-mail: gays@uus.no [Interventional Centre, Oslo University Hospital and Institute for Hospital Medicine, University of Oslo, Oslo (Norway); Josefsen, Roger, E-mail: roos@uus.no [Department of Neurosurgery, Oslo University Hospital-Ullevaal, Oslo (Norway); Kumar, Theresa, E-mail: thku@uus.no [Department of Pathology, Oslo University Hospital-Ullevaal, Oslo (Norway); Nakstad, Per H., E-mail: pena@uus.no [Section of Neuroradiology, Department of Radiology and Nuclear Medicine, Oslo University Hospital-Ullevaal and University of Oslo, Kirkeveien 166, NO-0407 Oslo (Norway)

    2011-11-15

    Purpose: Tumor grading is very important both in treatment decision and evaluation of prognosis. While tissue samples are obtained as part of most therapeutic approaches, factors that may result in inaccurate grading due to sampling error (namely, heterogeneity in tissue sampling, as well as tumor-grade heterogeneity within the same tumor specimen), have led to a desire to use imaging better to ascertain tumor grade. The purpose in our study was to evaluate the sensitivity, specificity, positive predictive value (PPV), negative predictive value (NPV), area under the curve (AUC), and accuracy of diffusion-weighted MR imaging (DWI), proton MR spectroscopic imaging (MRSI) or both in grading primary cerebral gliomas. Materials and methods: We performed conventional MR imaging (MR), DWI, and MRSI in 74 patients with newly diagnosed brain gliomas: 59 patients had histologically verified high-grade gliomas: 37 glioblastomas multiform (GBM) and 22 anaplastic astrocytomas (AA), and 15 patients had low-grade gliomas. Apparent diffusion coefficient (ADC) values of tumor and peritumoral edema, and ADC ratios (ADC in tumor or peritumoral edema to ADC of contralateral white matter, as well as ADC in tumor to ADC in peritumoral edema) were determined from three regions of interest. The average of the mean, maximum, and minimum for ADC variables was calculated for each patient. The metabolite ratios of Cho/Cr and Cho/NAA at intermediate TE were assessed from spectral maps in the solid portion of tumor, peritumoral edema and contralateral normal-appearing white matter. Tumor grade determined with the two methods was then compared with that from histopathologic grading. Logistic regression and receiver operating characteristic (ROC) curve analysis were performed to determine optimum thresholds for tumor grading. Measures of diagnostic examination performance, such as sensitivity, specificity, PPV, NPV, AUC, and accuracy for identifying high-grade gliomas were also calculated

  8. Adding diffuse reflectance infrared Fourier transform spectroscopy capability to extended x-ray-absorption fine structure in a new cell to study solid catalysts in combination with a modulation approach

    Science.gov (United States)

    Chiarello, Gian Luca; Nachtegaal, Maarten; Marchionni, Valentina; Quaroni, Luca; Ferri, Davide

    2014-07-01

    We describe a novel cell used to combine in situ transmission X-ray absorption spectroscopy (XAS) with diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) in a single experiment. The novelty of the cell design compared to current examples is that both radiations are passed through an X-ray and IR transparent window in direct contact with the sample. This innovative geometry also offers a wide surface for IR collection. In order to avoid interference from the crystalline IR transparent materials (e.g., CaF2, MgF2, diamond) a 500 μm carbon filled hole is laser drilled in the center of a CaF2 window. The cell is designed to represent a plug flow reactor, has reduced dead volume in order to allow for fast exchange of gases and is therefore suitable for experiments under fast transients, e.g., according to the concentration modulation approach. High quality time-resolved XAS and DRIFTS data of a 2 wt.% Pt/Al2O3 catalyst are obtained in concentration modulation experiments where CO (or H2) pulses are alternated to O2 pulses at 150 °C. We show that additional information can be obtained on the Pt redox dynamic under working conditions thanks to the improved sensitivity given by the modulation approach followed by Phase Sensitive Detection (PSD) analysis. It is anticipated that the design of the novel cell is likely suitable for a number of other in situ spectroscopic and diffraction methods.

  9. Fluorescence Effect of SrAl2O4:Eu and Diffuse Reflectivity of SrAl2O4:Eu Based Ceramics

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    SrAl2O4:Eu was adopted as main phase to prepare the ceramic pumping cavity material with ultraviolet(UV) converting function in order to match with laser absorption spectra. The relationship between SrAl2O4:Eu powder processing and fluorescence effect was studied. The glass material with lower refractive index was added to the SrAl2O4:Eu based ceramics. The diffusive reflectivity and the influence of fluorescence effect on reflection spectra of the ceramics were investigated. Some experimental results can be used for evaluating technical feasibility of the SrAl2O4:Eu based ceramics used for laser reflectors.

  10. XRD and UV-Vis diffuse reflectance analysis of CeO2-ZrO2 solid solutions synthesized by combustion method

    Indian Academy of Sciences (India)

    G Ranga Rao; H Ranjan Sahu

    2001-10-01

    A series of ceria-incorporated zirconia (Ce1-ZrO2, = 0 to 1) solid solutions were prepared by employing the solution combustion synthesis route. The products were characterized by XRD and UV-Vis-NIR diffuse reflectance spectroscopy. The materials are crystalline in nature and the lattice parameters of the solid solution series follow Vegard’s law. Diffuse reflectance spectra of the solid solutions in the UV region show two intense bands at 250 and 297 nm which are assigned respectively to Ce3+ ← O2- and Ce4+ ← O2- charge transfer transitions. The two vibrational bands in 6960 cm-1 and 5168 cm-1 in the NIR region indicate the presence of surface hydroxyl groups on these materials.

  11. 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.

  12. Application of VNIR diffuse reflectance spectroscopy for mapping of organic matter redistribution due to erosion and deposition processes

    Science.gov (United States)

    Klement, Ales; Brodsky, Lukas; Jaksik, Ondrej; Fer, Miroslav; Kodesova, Radka

    2014-05-01

    Visible and near-infrared (VNIR) diffuse reflectance spectroscopy is cost- and time-effective and environmentally friendly techniques method used for prediction of soil properties. Study was performed on the soils from the agricultural land from the municipalities of Brumovice (209 samples), Sedlcany (67 samples), Vidim (74 samples) and Zelezna (32 samples). In Brumovice original soil type was Haplic Chernozem on loess, which was due to erosion changed into Regosol (steep parts) and Colluvial soil (base slope and the tributary valley). A similar process has been described at other three locations Sedlcany, Vidim and Zelezna where the original soil types were Haplic Cambisol on gneiss, Haplic Luvisol on loess and Haplic Cambisol on shales, respectively. The goal of the study was to evaluate relationship between soil spectra curves and organic matter content to provide an efficient tool for mapping of organic matter redistribution (i.e. soil degradation) due to erosion and deposition processes. Samples were taken from the topsoil within regular grid covering studied areas. The soil spectra curves (of air dry soil and sieved using 0.2 mm sieve) were measured in the laboratory using spectrometer FieldSpec®3 (350 - 2 500 nm). Partial least squares regression (PLSR) was used for modeling of the relationship between spectra and measured organic matter content. Prediction ability was evaluated using the R2, root mean square error (RMSE). The results showed the best prediction of the organic matter content was obtained for soil samples from Brumovice (R2 = 0.78, RMSE = 0.15) and decreased as follows: Zelezna (R2 = 0.68, RMSE = 0.23), Sedlcany (R2 = 0.64, RMSE = 0.18) and Vidim (R2 = 0.61, RMSE = 0.12). In general, the results confirmed that the measurement of soil spectral characteristics is a promising technology for a digital soil mapping and predicting studied soil properties. Acknowledgment: Authors acknowledge the financial support of the Ministry of Agriculture of

  13. The apparent diffusion coefficient does not reflect cytotoxic edema on the uninjured side after traumatic brain injury

    Institute of Scientific and Technical Information of China (English)

    Hong Lu; Xiaoyan Lei

    2014-01-01

    After traumatic brain injury, vasogenic and cytotoxic edema appear sequentially on the in-volved side. Neuroimaging investigations of edema on the injured side have employed apparent diffusion coefficient measurements in diffusion tensor imaging. We investigated the changes occurring on the injured and uninjured sides using diffusion tensor imaging/apparent diffusion coefficient and histological samples in rats. We found that, on the injured side, that vasogen-ic edema appeared at 1 hour and intracellular edema appeared at 3 hours. Mixed edema was observed at 6 hours, worsening until 12-24 hours post-injury. Simultaneously, microglial cells proliferated at the trauma site. Apparent diffusion coefficient values increased at 1 hour, decreased at 6 hours, and increased at 12 hours. The uninjured side showed no significant pathological change at 1 hour after injury. Cytotoxic edema appeared at 3 hours, and vasogen-ic edema was visible at 6 hours. Cytotoxic edema persisted, but vasogenic edema tended to decrease after 12-24 hours. Despite this complex edema pattern on the uninjured side with associated pathologic changes, no significant change in apparent diffusion coefficient values was detected over the first 24 hours. Apparent diffusion coefficient values accurately detected the changes on the injured side, but did not detect the changes on the uninjured side, giving a false-negative result.

  14. Effect of diffuse roof cover with anti-reflection coating for roses; Effect van diffuus kasdek met Anti Reflectie coating bij Roos

    Energy Technology Data Exchange (ETDEWEB)

    Garcia Victoria, N.; Kempkes, F.

    2012-10-15

    The rose Red Naomi was cultivated in two greenhouses at Wageningen UR Greenhouse Horticulture in Bleiswijk, Netherlands (August 2010 - September 2011). One greenhouse covered with normal float glass; the other with AR coated diffuse glass (70% haze). This Anti-Reflection coating on both glass sides compensated for the loss in light transmission caused by the diffusing structure in the glass. The diffuse AR glass lead to a 5.2% higher production (>6.1% fresh weight). Sunscreens were necessary in spring and summer to avoid high light levels on the flower buds, as they cause very high bud temperatures leading to quality problems (blue petal edges and burnt leaf tips). The diffuse greenhouse cover allowed a 100 W/m{sup 2} higher screening threshold than the reference glass. This caused a 2.7% higher daily light integral, able to explain part of the extra production obtained. Part of the extra production achieved can not be explained by the measured factors as no differences were found in the amount of light intercepted by the crop or in leaf photosynthesis under both cover types. The light under the diffuse AR cover was nevertheless much smoother, so the crop seemed to suffer less (lower bud temperatures and less burned leaf tips), and this should provide an explanation for the rest of the extra production. The cover properties did not influence disease development (powdery mildew). The obtained extra production makes the tempered, diffuse glass with Anti Reflection coating on both sides economically feasible [Dutch] Tussen augustus 2010 en september 2011 is bij Wageningen UR Glastuinbouw het effect van diffuus glas, met dubbelzijdige AR coating, op de productie en energiegebruik van roos 'Red Naomi' onderzocht. Onder het diffuse glas werden 5,2% meer bloemtakken geproduceerd, deze rozen waren ook iets langer en zwaarder (6,1% meer versgewicht). Dit verschil kan deels verklaard worden doordat er onder het diffuse glas pas bij hogere stralingsniveau

  15. Fourier Transform Infrared Spectroscopic Studies in Flotation

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Fourier transform infrared (FTIR) spectroscopy has been extensively employed in flotation research.The work done by the author and co-workers has been reported.A comparison has been made among the different FTIR spectroscopic techniques,e.g.,transmission FTIR spectroscopy,diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy,and attenuated total reflectance (ATR) FTIR spectroscopy.FTIR spectroscopy has been used to study the mechanism of interaction between the collector and the surfaces of different minerals,the mechanism of action of the depressant in improving the selectivity of flotation,and the mechanism of adsorption of the polymeric modifying reagent on mineral surfaces.The interaction between particles in mineral suspension has also been studied by FTIR spectroscopy.

  16. Diffuse Spectral Reflectance Records from the Northeast Pacific Oxygen Minimum Zone: Evidence for Rapid Shifts in Carbonate and Organic Carbon throughout the Holocene

    Science.gov (United States)

    Delvisico, J. G.; OConnell, S.; Ortiz, J. D.

    2002-05-01

    Sediment cores collected within the Oxygen Minimum Zone (O2 Soledad Basin, desirable for its high sedimentation rates (100-120cm/kyr) and its 200 m sill depth. We maintain the hypothesis that variations in carbonate and organic carbon seen through the Diffuse Spectral Reflectance (DSR) will preferentially show the effects of local production on the spatial/temporal extent of the Oxygen Minimum Zone due to the circulation restrictions imposed on the basin by its shallow sill depth. The summer's work involved compiling a composite proxy record of variations in organic carbon through R-mode factor analysis of the Diffuse Spectral Reflectance signal, which was then further constrained through coulometry to provide confidence points for reflectance-derived proxy values. Through the compilation of the five piston core records, a continuous, high frequency climatic proxy record of changes in productivity was constructed over the past 15 Ka. Organic carbon shifts within the Soledad record also contain a periodicity within the time scale bounds of the present day Pacific Decadal Oscillation (20-50 year quasi-cyclicity) discerned initially from various forms of autospectral time series analysis, suggesting a connection between the two processes. The Soledad DSR record has also shown strong positive correlations to other high-resolution global paleoclimate proxy records, through which we hope to further elucidate rapid climate teleconnections between high and low latitude climate instability during the past 15 Ka.

  17. Application of the specular and diffuse reflection analysis for in vitro diagnostics of dental erosion: correlation with enamel softening, roughness, and calcium release

    Science.gov (United States)

    Rakhmatullina, Ekaterina; Bossen, Anke; Höschele, Christoph; Wang, Xiaojie; Beyeler, Barbara; Meier, Christoph; Lussi, Adrian

    2011-10-01

    We present assembly and application of an optical reflectometer for the analysis of dental erosion. The erosive procedure involved acid-induced softening and initial substance loss phases, which are considered to be difficult for visual diagnosis in a clinic. Change of the specular reflection signal showed the highest sensitivity for the detection of the early softening phase of erosion among tested methods. The exponential decrease of the specular reflection intensity with erosive duration was compared to the increase of enamel roughness. Surface roughness was measured by optical analysis, and the observed tendency was correlated with scanning electron microscopy images of eroded enamel. A high correlation between specular reflection intensity and measurement of enamel softening (r2 >= -0.86) as well as calcium release (r2 >= -0.86) was found during erosion progression. Measurement of diffuse reflection revealed higher tooth-to-tooth deviation in contrast to the analysis of specular reflection intensity and lower correlation with other applied methods (r2 = 0.42-0.48). The proposed optical method allows simple and fast surface analysis and could be used for further optimization and construction of the first noncontact and cost-effective diagnostic tool for early erosion assessment in vivo.

  18. Application of the specular and diffuse reflection analysis for in vitro diagnostics of dental erosion: correlation with enamel softening, roughness, and calcium release

    Science.gov (United States)

    Rakhmatullina, Ekaterina; Bossen, Anke; Höschele, Christoph; Wang, Xiaojie; Beyeler, Barbara; Meier, Christoph; Lussi, Adrian

    2011-01-01

    We present assembly and application of an optical reflectometer for the analysis of dental erosion. The erosive procedure involved acid-induced softening and initial substance loss phases, which are considered to be difficult for visual diagnosis in a clinic. Change of the specular reflection signal showed the highest sensitivity for the detection of the early softening phase of erosion among tested methods. The exponential decrease of the specular reflection intensity with erosive duration was compared to the increase of enamel roughness. Surface roughness was measured by optical analysis, and the observed tendency was correlated with scanning electron microscopy images of eroded enamel. A high correlation between specular reflection intensity and measurement of enamel softening (r2 ≥ −0.86) as well as calcium release (r2 ≥ −0.86) was found during erosion progression. Measurement of diffuse reflection revealed higher tooth-to-tooth deviation in contrast to the analysis of specular reflection intensity and lower correlation with other applied methods (r2 = 0.42–0.48). The proposed optical method allows simple and fast surface analysis and could be used for further optimization and construction of the first noncontact and cost-effective diagnostic tool for early erosion assessment in vivo. PMID:22029364

  19. Application of the specular and diffuse reflection analysis for in vitro diagnostics of dental erosion: correlation with enamel softening, roughness, and calcium release.

    Science.gov (United States)

    Rakhmatullina, Ekaterina; Bossen, Anke; Höschele, Christoph; Wang, Xiaojie; Beyeler, Barbara; Meier, Christoph; Lussi, Adrian

    2011-10-01

    We present assembly and application of an optical reflectometer for the analysis of dental erosion. The erosive procedure involved acid-induced softening and initial substance loss phases, which are considered to be difficult for visual diagnosis in a clinic. Change of the specular reflection signal showed the highest sensitivity for the detection of the early softening phase of erosion among tested methods. The exponential decrease of the specular reflection intensity with erosive duration was compared to the increase of enamel roughness. Surface roughness was measured by optical analysis, and the observed tendency was correlated with scanning electron microscopy images of eroded enamel. A high correlation between specular reflection intensity and measurement of enamel softening (r(2) ≥ -0.86) as well as calcium release (r(2) ≥ -0.86) was found during erosion progression. Measurement of diffuse reflection revealed higher tooth-to-tooth deviation in contrast to the analysis of specular reflection intensity and lower correlation with other applied methods (r(2) = 0.42-0.48). The proposed optical method allows simple and fast surface analysis and could be used for further optimization and construction of the first noncontact and cost-effective diagnostic tool for early erosion assessment in vivo.

  20. ACA-Pro: calibration protocol for quantitative diffuse reflectance spectroscopy. Validation on contact and noncontact probe- and CCD-based systems

    Science.gov (United States)

    Sorgato, Veronica; Berger, Michel; Emain, Charlotte; Vever-Bizet, Christine; Dinten, Jean-Marc; Bourg-Heckly, Geneviève; Planat-Chrétien, Anne

    2016-06-01

    We have developed an adaptive calibration algorithm and protocol (ACA-Pro) that corrects from the instrumental response of various spatially resolved diffuse reflectance spectroscopy (DRSsr) systems to enable the quantification of absorption and scattering properties based on a Monte Carlo-based look-up-table approach. The protocol involves the use of a calibration reference base built with measurements of a range of different diffusive intralipid phantoms. Moreover, an advanced strategy was established to take into account the experimental variations with an additional measurement of a common solid material, allowing the use of a single calibration reference base for all experiments. The ACA-Pro is validated in contact and noncontact probe-based DRSsr systems. Furthermore, the first results of a setup replacing the probe with a CCD detector are shown to confirm the robustness of the approach.

  1. Spectroscopic Detection of Caries Lesions

    Directory of Open Access Journals (Sweden)

    Mika Ruohonen

    2013-01-01

    Full Text Available Background. A caries lesion causes changes in the optical properties of the affected tissue. Currently a caries lesion can be detected only at a relatively late stage of development. Caries diagnosis also suffers from high interobserver variance. Methods. This is a pilot study to test the suitability of an optical diffuse reflectance spectroscopy for caries diagnosis. Reflectance visible/near-infrared spectroscopy (VIS/NIRS was used to measure caries lesions and healthy enamel on extracted human teeth. The results were analysed with a computational algorithm in order to find a rule-based classification method to detect caries lesions. Results. The classification indicated that the measured points of enamel could be assigned to one of three classes: healthy enamel, a caries lesion, and stained healthy enamel. The features that enabled this were consistent with theory. Conclusions. It seems that spectroscopic measurements can help to reduce false positives at in vitro setting. However, further research is required to evaluate the strength of the evidence for the method’s performance.

  2. Determination of the pigments present in a wallpaper of the middle nineteenth century: the combination of mid-diffuse reflectance and far infrared spectroscopies.

    Science.gov (United States)

    Arrizabalaga, Iker; Gómez-Laserna, Olivia; Aramendia, Julene; Arana, Gorka; Madariaga, Juan Manuel

    2014-04-24

    In this work the determination of the pigments present in a decorative wallpaper of the middle nineteenth century from the Santa Isabel factory (Vitoria-Gasteiz, Basque Country, Spain) has been performed by a combination of mid-Diffuse Reflectance Infrared Spectroscopy (DRIFT) and Far Infrared Spectroscopy (FIR) in transmission mode. The DRIFT is a powerful infrared technique that is not widely used in the analyses of artworks in spite of being especially adequate for powdered samples. In this mode, sample pretreatment is not required and the obtained spectra are easier to solve than those obtained in transmittance mode. Those pigments which are not active in the mid-infrared region may be determined easily by FIR. In the last decade, in the field of painted materials very few studies performed by far infrared spectroscopy and mid infrared spectroscopy in diffuse reflectance mode can be found. In most of them the researchers have used one of these techniques, but in no case the combination of both. As we demonstrate in this work, combining these two techniques a complete characterization of the wallpaper can be carried out. Small samples were collected from the wallpaper for the analysis of the rose, brown, yellow and blue colours. In this way, minium (Pb3O4), calcite (CaCO3), barium sulphate (BaSO4), prussian blue (Fe7C18N18), iron oxide yellow (α-FeOOH), vermillion (HgS) and carbon black pigment from organic origen were detected. Finally, the validation was carried out by XRF and Raman spectroscopy getting the same results as with the combination of diffuse reflectance infrared spectroscopy and far infrared spectroscopy.

  3. Determination of diffusion coefficients of carbon dioxide in water between 268 and 473 K in a high-pressure capillary optical cell with in situ Raman spectroscopic measurements

    Science.gov (United States)

    Lu, Wanjun; Guo, Huirong; Chou, I.-Ming; Burruss, R.C.; Li, Lanlan

    2013-01-01

    Accurate values of diffusion coefficients for carbon dioxide in water and brine at reservoir conditions are essential to our understanding of transport behavior of carbon dioxide in subsurface pore space. However, the experimental data are limited to conditions at low temperatures and pressures. In this study, diffusive transfer of carbon dioxide in water at pressures up to 45 MPa and temperatures from 268 to 473 K was observed within an optical capillary cell via time-dependent Raman spectroscopy. Diffusion coefficients were estimated by the least-squares method for the measured variations in carbon dioxide concentration in the cell at various sample positions and time. At the constant pressure of 20 MPa, the measured diffusion coefficients of carbon dioxide in water increase with increasing temperature from 268 to 473 K. The relationship between diffusion coefficient of carbon dioxide in water [D(CO2) in m2/s] and temperature (T in K) was derived with Speedy–Angell power-law approach as: D(CO2)=D0[T/Ts-1]m where D0 = 13.942 × 10−9 m2/s, Ts = 227.0 K, and m = 1.7094. At constant temperature, diffusion coefficients of carbon dioxide in water decrease with pressure increase. However, this pressure effect is rather small (within a few percent).

  4. 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.

  5. Study of roughness-induced diffuse and specular reflectance at silver-air and silver-liquid interfaces. Final report, July 1, 1979-August 31, 1980

    Energy Technology Data Exchange (ETDEWEB)

    Sari, S.O.

    1980-07-01

    Results of an extended investigation of surface plasma-wave absorption and roughness-induced optical scattering from an interface of silver and air are described. In particular, the position of the surface plasma resonance minimum in reflectivity for a stochastically roughened metal silver surface has been studied as a function of a number of distinct roughness perturbations. In the case of a transparent liquid-silver boundary the frequency red shift of the resonance minimum has been determined and the location of the surface plasmon dip for various liquids is shown to agree well with a simple roughness theory. The additional interfacial properties due to the formation of a thin inhomogeneous oxide layer occurring either spontaneously or due to application of a small interfacial electrical potential are more complex. However, the optical constants of the interlayer have been determined from differential specular reflectance measurements at the boundary. Nodule size parameters determined from scattering and absorption measurements and features of both polarized and depolarized diffuse reflectance give further information on the state of the interface. Reflectance of ordered-corrugated surfaces are also described.

  6. Adding diffuse reflectance infrared Fourier transform spectroscopy capability to extended x-ray-absorption fine structure in a new cell to study solid catalysts in combination with a modulation approach

    Energy Technology Data Exchange (ETDEWEB)

    Chiarello, Gian Luca [Dipartimento di Chimica, Università degli Studi di Milano, Via C. Golgi 19, I-20133 Milano, Italy and Empa, Swiss Federal Laboratories for Materials Science and Technology, Lab. for Solid State Chemistry and Catalysis, Ueberlandstrasse 129, CH-8600 Dübendorf (Switzerland); Nachtegaal, Maarten; Marchionni, Valentina; Quaroni, Luca; Ferri, Davide, E-mail: davide.ferri@psi.ch [Paul Scherrer Institut, CH-5232 Villigen PSI (Switzerland)

    2014-07-15

    We describe a novel cell used to combine in situ transmission X-ray absorption spectroscopy (XAS) with diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) in a single experiment. The novelty of the cell design compared to current examples is that both radiations are passed through an X-ray and IR transparent window in direct contact with the sample. This innovative geometry also offers a wide surface for IR collection. In order to avoid interference from the crystalline IR transparent materials (e.g., CaF{sub 2}, MgF{sub 2}, diamond) a 500 μm carbon filled hole is laser drilled in the center of a CaF{sub 2} window. The cell is designed to represent a plug flow reactor, has reduced dead volume in order to allow for fast exchange of gases and is therefore suitable for experiments under fast transients, e.g., according to the concentration modulation approach. High quality time-resolved XAS and DRIFTS data of a 2 wt.% Pt/Al{sub 2}O{sub 3} catalyst are obtained in concentration modulation experiments where CO (or H{sub 2}) pulses are alternated to O{sub 2} pulses at 150 °C. We show that additional information can be obtained on the Pt redox dynamic under working conditions thanks to the improved sensitivity given by the modulation approach followed by Phase Sensitive Detection (PSD) analysis. It is anticipated that the design of the novel cell is likely suitable for a number of other in situ spectroscopic and diffraction methods.

  7. Effect of simulated precompression, compression pressure and tableting speed on an offline diffuse transmittance and reflectance near-infrared spectral information of model intact caffeine tablets.

    Science.gov (United States)

    Vranic, Branko Z; Vandamme, Thierry F

    2015-01-01

    Near-infrared spectroscopy (NIRS) is used in the pharmaceutical industry for monitoring drug content during the tablet manufacturing process. It is of critical importance to understand the effect of process factors on NIRS performance. Design of Experiments (DoE) methodology was applied in this work for the systematic study of the effects of compression pressure, precompression pressure and tableting speed on an average Euclidean distance (AED), which reflects spectral features of the tablets, and root mean-squared error of prediction (RMSEP) as key performance indicator of NIRS calibration models. Caffeine tablets were manufactured in 17 experimental runs in accordance with D-optimal design. Developed diffuse transmittance (DT) and diffuse reflectance (DR) calibration models were tested on five independent test sets to confirm the conclusions of the DoE. Compression pressure and tableting speed have shown significant effect on the studied responses in DT mode, whereas all three studied factors have shown a significant effect in DR mode. Significant factors were considered in the development of the global calibration models. The authors suggest further study of RMSEP and AED responses to draw reliable conclusions on the effects of tableting process factors. The global calibration model in DT mode has shown superior performance compared to DR mode.

  8. Green method by diffuse reflectance infrared spectroscopy and spectral region selection for the quantification of sulphamethoxazole and trimethoprim in pharmaceutical formulations

    Directory of Open Access Journals (Sweden)

    Fabiana E.B. da Silva

    2016-03-01

    Full Text Available An alternative method for the quantification of sulphametoxazole (SMZ and trimethoprim (TMP using diffuse reflectance infrared Fourier-transform spectroscopy (DRIFTS and partial least square regression (PLS was developed. Interval Partial Least Square (iPLS and Synergy Partial Least Square (siPLS were applied to select a spectral range that provided the lowest prediction error in comparison to the full-spectrum model. Fifteen commercial tablet formulations and forty-nine synthetic samples were used. The ranges of concentration considered were 400 to 900 mg g-1SMZ and 80 to 240 mg g-1 TMP. Spectral data were recorded between 600 and 4000 cm-1 with a 4 cm-1 resolution by Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS. The proposed procedure was compared to high performance liquid chromatography (HPLC. The results obtained from the root mean square error of prediction (RMSEP, during the validation of the models for samples of sulphamethoxazole (SMZ and trimethoprim (TMP using siPLS, demonstrate that this approach is a valid technique for use in quantitative analysis of pharmaceutical formulations. The selected interval algorithm allowed building regression models with minor errors when compared to the full spectrum PLS model. A RMSEP of 13.03 mg g-1for SMZ and 4.88 mg g-1 for TMP was obtained after the selection the best spectral regions by siPLS.

  9. Diffusion-weighted magnetic resonance imaging reflects activation of signal transducer and activator of transcription 3 during focal cerebral ischemia/reperfusion

    Directory of Open Access Journals (Sweden)

    Wen-juan Wu

    2017-01-01

    Full Text Available Signal transducer and activator of transcription (STAT is a unique protein family that binds to DNA, coupled with tyrosine phosphorylation signaling pathways, acting as a transcriptional regulator to mediate a variety of biological effects. Cerebral ischemia and reperfusion can activate STATs signaling pathway, but no studies have confirmed whether STAT activation can be verified by diffusion-weighted magnetic resonance imaging (DWI in rats after cerebral ischemia/reperfusion. Here, we established a rat model of focal cerebral ischemia injury using the modified Longa method. DWI revealed hyperintensity in parts of the left hemisphere before reperfusion and a low apparent diffusion coefficient. STAT3 protein expression showed no significant change after reperfusion, but phosphorylated STAT3 expression began to increase after 30 minutes of reperfusion and peaked at 24 hours. Pearson correlation analysis showed that STAT3 activation was correlated positively with the relative apparent diffusion coefficient and negatively with the DWI abnormal signal area. These results indicate that DWI is a reliable representation of the infarct area and reflects STAT phosphorylation in rat brain following focal cerebral ischemia/reperfusion.

  10. Study of magnetic thin films by polarized neutron reflectivity. Off-specular diffusion on periodical structures; Etude de couches minces magnetiques par reflectivite de neutrons polarises. Diffusion non speculaire sur des structures periodiques

    Energy Technology Data Exchange (ETDEWEB)

    Ott, F

    1998-11-26

    Theoretical (Zeeman energy effects) and experimental (beam polarisation problems) progress have been made in the understanding of polarized neutron reflectivity with polarisation analysis. It has been shown that modelization and numerical simulations makes it possible to avoid to have to systematically measure a full set of reflectivity curves for each field and temperature condition. It has been possible to determine a magnetic profile as a function of the field in a magnetic bilayer system by using only a few points in the reciprocal space. This technique allows to considerable reduce the experiment time. In single nickel layer systems, we have shown that it is possible to induce magnetic rotation inhomogeneities when these systems are subjects to deformation strains. The effect are related to magneto-elastic constants gradients. In trilayer systems, with a ME constant modulation, we have been able to induce large magnetic rotation gradients. A new magneto-optic technique to measure the magnetization direction without rotating the magnetic field has been developed. The field of neutron reflectivity has been extended to off-specular studies. It has been possible to account quantitatively of the off-specular diffusion on 2-D model systems (prepared by optical lithography). This new technique should make it possible in the future to determine magnetic structures with a in-depth as well as lateral resolution. (author)

  11. Mid-infrared diffuse reflectance spectroscopic examination of charred pine wood, bark, cellulose, and lignin: Implications for the quantitative determination of charcoal in soils

    Science.gov (United States)

    Reeves, J. B.; McCarty, G.W.; Rutherford, D.W.; Wershaw, R. L.

    2008-01-01

    Fires in terrestrial ecosystems produce large amounts of charcoal that persist in the environment and represent a substantial pool of sequestered carbon in soil. The objective of this research was to investigate the effect of charring on mid-infrared spectra of materials likely to be present in forest fires in order to determine the feasibility of determining charred organic matter in soils. Four materials (cellulose, lignin, pine bark, and pine wood) and char from these materials, created by charring for various durations (1 to 168 h) and at various temperatures (200 to 450 ??C), were studied. Mid-infrared spectra and measures of acidity (total acids, carboxylic acids, lactones, and phenols as determined by titration) were determined for 56 different samples (not all samples were charred at all temperatures/durations). Results showed spectral changes that varied with the material, temperature, and duration of charring. Despite the wide range of spectral changes seen with the differing materials and length/temperature of charring, partial least squares calibrations for total acids, carboxylic acids, lactones, and phenols were successfully created (coefficient of determination and root mean squared deviation of 0.970 and 0.380; 0.933 and 0.227; 0.976 and 0.120; and 0.982 and 0.101 meq/g, respectively), indicating that there is a sufficient commonality in the changes to develop calibrations without the need for unique calibrations for each specific material or condition of char formation. ?? 2008 Society for Applied Spectroscopy.

  12. Investigation of applicability of a mid-infrared spectroscopic method using an attenuated total reflection accessory and a new near-infrared transmission method for determination of faecal fat.

    Science.gov (United States)

    Volmer, M; Kingma, A W; Borsboom, P C; Wolthers, B G; Kema, I P

    2001-05-01

    In many laboratories, the titrimetric method of Van de Kamer is used for the analysis of faecal fat content of patients suspected of steatorrhoea. We investigated the applicability of a mid-infrared (MIR) spectroscopic method, using an attenuated total reflection (ATR) accessory, and a new near-infrared (NIR) spectroscopic method. For the NIR method, sealed plastic bags containing the stool samples were used as transmission cells. Standardization was obtained using a previously described MIR method, with a NaCl flow-cell, as reference method. Partial least-squares regression was used for the calibration of each method. Full cross-validation of the calibration set was used for the internal validation of each method. Fifteen per cent of the stool samples could not be estimated with the ATR method within reasonable accuracy limits compared with the reference. The standard error of prediction of the NIR method was 1.1 g/dL. We conclude that the new NIR method is a promising technique for routine use. However, further experiments need to be done with triplicate measurements of each sample and the use of an external validation set.

  13. An Approach to Biochemical Imaging of Heterogeneity in the Bio-tissue Simultaneously Using the Data of Reflectance and Transmittance of Diffuse-Photon Density Waves

    Institute of Scientific and Technical Information of China (English)

    DONG Guang-Jiong; HAN Ru-Shan; HUANG Yun; Kaoru Sakatani; HUANG Feng-Yuan

    2001-01-01

    An algorithm for the biochemical imaging of heterogeneity in the bio-tissue with finite parallel-plane geometry simultaneously using the data of reflectance and transmittance of diffuse-photon density waves is presented.In this algorithm, the priori knowledge of heterogeneity is not needed. This algorithm is suitable for the imaging of heterogeneity in the large volume tissue and in small organs. To reduce the errors produced by the algorithm, it is suggested that the experiment should be performed in two steps, at first step the light source should be placed at one boundary to measure the data of reflectance and transmittance, and these data are used to construct the heterogeneous function in the haff space close to the light source; at the second step the light source should be placed at another boundary to measure the data of reflectance and transmittance, these data are used to construct the heterogeneous function in another half space closed to the light source; after taking above two steps the heterogeneous function in the whole space is constructed.

  14. An investigation of the coordination number of Ni 2+ in nickel bearing phyllosilicates using diffuse reflectance spectroscopy

    Science.gov (United States)

    Tejedor-Tejedor, M. Isabel; Anderson, Marc A.; Herbillon, Adrien J.

    1983-11-01

    Visible region reflectance spectroscopy and nonlinear regression analysis of spectral data have been used to present qualitative and semiquantitative evidence that some tetrahedral Ni 2+ is present in all six phyllosilicates examined. Highly crystalline willemseite and chrysotile, poorly crystalline nepouite as well as two natural minerals, and a mixture of poorly crystalline nepouite and nickel hydroxide all showed the presence of tetrahedral Ni 2+ as well as octahedral nickel. Chemical analysis of willemseite confirmed quantitatively the presence of excess Ni lending further support for the presence of tetrahedral nickel.

  15. Ultraviolet Survey of CO and H_2 in Diffuse Molecular Clouds: The Reflection of Two Photochemistry Regimes in Abundance Relationships

    CERN Document Server

    Sheffer, Y; Federman, S R; Abel, N P; Gredel, R; Lambert, D L; Shaw, G

    2008-01-01

    (Abridged) We carried out a comprehensive far-ultraviolet (UV) survey of ^12CO and H_2 column densities along diffuse molecular Galactic sight lines in order to explore in detail the relationship between CO and H_2. We measured new CO abundances from HST spectra, new H_2 abundances from FUSE data, and new CH, CH^+, and CN abundances from the McDonald and European Southern Observatories. A plot of log N(CO) versus log N(H_2) shows that two power-law relationships are needed for a good fit of the entire sample, with a break located at log N(CO, cm^-2) = 14.1 and log N(H_2) = 20.4, corresponding to a change in production route for CO in higher-density gas. Similar logarithmic plots among all five diatomic molecules allow us to probe their relationships, revealing additional examples of dual slopes in the cases of CO versus CH (break at log N = 14.1, 13.0), CH^+ versus H_2 (13.1, 20.3), and CH^+ versus CO (13.2, 14.1). These breaks are all in excellent agreement with each other, confirming the break in the CO ver...

  16. Incorporation of Co(II) in dealuminated BEA zeolite at lattice tetrahedral sites evidenced by XRD, FTIR, diffuse reflectance UV-Vis, EPR, and TPR.

    Science.gov (United States)

    Dzwigaj, S; Che, M

    2006-06-29

    A CoSiBEA zeolite is prepared by a two-step postsynthesis method that consists of first creating vacant T-sites with associated silanol groups by dealumination of TEABEA zeolite with nitric acid and then impregnating the resulting SiBEA zeolite with an aqueous solution of Co(NO3)2. The incorporation of Co into lattice sites of SiBEA is evidenced by XRD. The consumption of OH groups is monitored by FTIR. The presence of Co in its II oxidation state and in tetrahedral coordination is evidenced by diffuse reflectance UV-vis and EPR spectroscopy. The very high reduction temperature (1120 K) of cobalt in CoSiBEA zeolite determined by TPR confirms that Co interacts strongly with the zeolite support, consistent with lattice tetrahedral (T(d)) coordination.

  17. In situ diffuse reflectance infrared Fourier transform spectroscopy study of formaldehyde adsorption and reactions on nano γ-Fe2O3 films

    Science.gov (United States)

    Huang, Kaijin; Kong, Lingcong; Yuan, Fangli; Xie, Changsheng

    2013-04-01

    The nano γ-Fe2O3 films gas sensor was fabricated by the screen printing technology. The phase structures and morphologies of nano γ-Fe2O3 films were characterized by X-ray diffraction (XRD) and field-emission scanning electron microscopy (FESEM), respectively. The gas sensitivity of the films to 100 ppm formaldehyde was investigated. The surface adsorption and reaction process between nano γ-Fe2O3 films and formaldehyde was studied by in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) method at different temperatures. DRIFTS results showed that dioxymethylene, formate ions, polyoxymethylene and molecularly formaldehyde surface species were detected when the nano γ-Fe2O3 films exposed to 100 ppm formaldehyde at different temperatures. A possible mechanism of the reaction process was discussed.

  18. In situ diffuse reflectance Fourier transform infrared spectroscopy (DRIFTS) study of formaldehyde adsorption and reactions on Pd-doped nano-γ-Fe₂O₃ films.

    Science.gov (United States)

    Huang, Kaijin; Kong, Lingcong; Yuan, Fangli; Xie, Changsheng

    2013-08-01

    Palladium-doped nano-γ-Fe₂O₃ films were printed on Al₂O₃ substrates by screen printing-injecting hybrid technology. X-ray diffraction and scanning electron microscopy techniques were used to characterize the phase structures and morphologies of the films, respectively. The sensitivity of the films to 100 ppm formaldehyde in air was investigated. The surface adsorption and reaction process between Pd-doped nano-γ-Fe₂O₃ films and formaldehyde was studied by in situ diffuse reflectance Fourier transform infrared spectroscopy (DRIFTS) at different temperatures. Dioxymethylene, formate ions, polyoxymethylene, and adsorbed formaldehyde were detected when the Pd-doped nano-γ-Fe₂O₃ films were exposed to 100 ppm formaldehyde at different temperatures. A possible mechanism of the reaction process is discussed.

  19. Stand-off detection of solid targets with diffuse reflection spectroscopy using a high-power mid-infrared supercontinuum source.

    Science.gov (United States)

    Kumar, Malay; Islam, Mohammed N; Terry, Fred L; Freeman, Michael J; Chan, Allan; Neelakandan, Manickam; Manzur, Tariq

    2012-05-20

    We measure the diffuse reflection spectrum of solid samples such as explosives (TNT, RDX, PETN), fertilizers (ammonium nitrate, urea), and paints (automotive and military grade) at a stand-off distance of 5 m using a mid-infrared supercontinuum light source with 3.9 W average output power. The output spectrum extends from 750-4300 nm, and it is generated by nonlinear spectral broadening in a 9 m long fluoride fiber pumped by high peak power pulses from a dual-stage erbium-ytterbium fiber amplifier operating at 1543 nm. The samples are distinguished using unique spectral signatures that are attributed to the molecular vibrations of the constituents. Signal-to-noise ratio (SNR) calculations demonstrate the feasibility of increasing the stand-off distance from 5 to ~150 m, with a corresponding drop in SNR from 28 to 10 dB.

  20. Diffuse Reflectance Infrared Fourier Transform Study of NOx Adsorption on CGO10 Impregnated with K2O or BaO

    DEFF Research Database (Denmark)

    Traulsen, Marie Lund; Härelind Ingelsten, H.; Kammer Hansen, Kent

    2012-01-01

    In the present work Diffuse Reflectance Infrared Fourier Transform (DRIFT) spectroscopy is applied to study the adsorption of NOx at 300-500 °C in different atmospheres on gadolinium doped ceria (CGO), an important material in electrodes investigated for electrochemical NOx removal. Furthermore......, the effect on the NOx adsorption when adding K2O or BaO to the CGO is investigated. The DRIFT study shows mainly the presence of nitrate species at 500 °C, while at lower temperature a diversity of adsorbed NOx species exists on the CGO. Presence of O2 is shown to have a strong effect on the adsorption of NO......, but no effect on the adsorption of NO2. Addition of K2O and BaO dramatically affects the NOx adsorption and the results also show that the adsorbed NOx species are mobile and capable of changing adsorption state in the investigated temperature range....

  1. Gas-Phase Photodegradation of Decane and Methanol on TiO2: Dynamic Surface Chemistry Characterized by Diffuse Reflectance FTIR

    Directory of Open Access Journals (Sweden)

    William Balcerski

    2008-01-01

    Full Text Available Diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS was used to study illuminated TiO2 surfaces under both vacuum conditions, and in the presence of organic molecules (decane and methanol. In the presence of hole scavengers, electrons are trapped at Ti(III–OH sites, and free electrons are generated. These free electrons are seen to decay by exposure either to oxygen or to heat; in the case of heating, reinjection of holes into the lattice by loss of sorbed hole scavenger leads to a decrease in Ti(III–OH centers. Decane adsorption experiments lend support to the theory that removal of surficial hydrocarbon contaminants is responsible for superhydrophilic TiO2 surfaces. Oxidation of decane led to a mixture of surface-bound organics, while oxidation of methanol leads to the formation of surface-bound formic acid.

  2. Noninvasive evaluation of collagen and hemoglobin contents and scattering property of in vivo keloid scars and normal skin using diffuse reflectance spectroscopy: pilot study

    Science.gov (United States)

    Tseng, Sheng-Hao; Hsu, Chao-Kai; Yu-Yun Lee, Julia; Tzeng, Shih-Yu; Chen, Wan-Rung; Liaw, Yu-Kai

    2012-07-01

    Collagen is a rich component in skin that provides skin structure integrity; however, its contribution to the absorption and scattering properties of various types of skin has not been extensively studied. We considered the contribution of the collagen to the absorption spectrum of in vivo normal skin and keloids of 12 subjects derived from our diffuse reflectance spectroscopy (DRS) system in the wavelength range from 550 to 860 nm. It was found that the collagen concentration, the hemoglobin oxygen saturation, and the reduced scattering coefficient of keloids were remarkably different from that of normal skin. Our results suggest that our DRS system could assist clinicians in understanding the functional and structural condition of keloid scars. In the future, we will evaluate the accuracy of our system in the keloid diagnosis and investigate the applicability of our system for other skin-collagen-related studies.

  3. 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.

  4. Near-infrared diffuse reflectance imaging of infarct core and peri-infarct depolarization in a rat middle cerebral artery occlusion model

    Science.gov (United States)

    Kawauchi, Satoko; Nishidate, Izumi; Nawashiro, Hiroshi; Sato, Shunichi

    2014-03-01

    To understand the pathophysiology of ischemic stroke, in vivo imaging of the brain tissue viability and related spreading depolarization is crucial. In the infarct core, impairment of energy metabolism causes anoxic depolarization (AD), which considerably increases energy consumption, accelerating irreversible neuronal damage. In the peri-infarct penumbra region, where tissue is still reversible despite limited blood flow, peri-infarct depolarization (PID) occurs, exacerbating energy deficit and hence expanding the infarct area. We previously showed that light-scattering signal, which is sensitive to cellular/subcellular structural integrity, was correlated with AD and brain tissue viability in a rat hypoxia-reoxygenation model. In the present study, we performed transcranial NIR diffuse reflectance imaging of the rat brain during middle cerebral artery (MCA) occlusion and examined whether the infarct core and PIDs can be detected. Immediately after occluding the left MCA, light scattering started to increase focally in the occlusion site and a bright region was generated near the occlusion site and spread over the left entire cortex, which was followed by a dark region, showing the occurrence of PID. The PID was generated repetitively and the number of times of occurrence in a rat ranged from four to ten within 1 hour after occlusion (n=4). The scattering increase in the occlusion site was irreversible and the area with increased scattering expanded with increasing the number of PIDs, indicating an expansion of the infarct core. These results suggest the usefulness of NIR diffuse reflectance signal to visualize spatiotemporal changes in the infarct area and PIDs.

  5. Diffuse reflectance spectroscopy: diagnostic accuracy of a non-invasive screening technique for early detection of malignant changes in the oral cavity

    Science.gov (United States)

    Jayanthi, J L; Nisha, G U; Manju, S; Philip, E K; Jeemon, P; Baiju, K V; Beena, V T

    2011-01-01

    Background Strong proof-of-principle for utilisation of diffuse reflectance spectroscopy, a non-invasive tool for early detection of malignant changes, has emerged recently. The potential of this technique in distinguishing normal tissue from hyperplastic and dysplastic tissues was explored. Methods Diffuse reflectance (DR) spectra in the 400–700 nm region were obtained from the buccal mucosa of 96 patients and 34 healthy volunteers. The DR spectral data were compared against the gold standard biopsy and histopathology results. A principal-component analysis was performed for dimensional reduction in the normalised spectral data with linear discriminant analysis as the classifying technique. The receiver operator characteristic curve technique was employed for evaluating the performance of the diagnostic test. Results DR spectral features for different lesions, such as normal/healthy, hyperplastic, dysplastic and squamous cell carcinoma (SCC), varied significantly according to the intensity of oxygenated haemoglobin absorption. While the classification based on discriminant scores provided an overall sensitivity of 98.5% and specificity of 96.0% for distinguishing SCC from dysplasia, they were 100.0% and 95.0%, respectively, for distinguishing dysplasia from hyperplasia. Similarly, the analysis yielded a sensitivity of 95.0% and specificity of 100.0% for distinguishing hyperplasia from healthy tissue. The areas under the receiver operator characteristic curves were 0.98 (95% CI 0.95 to 1.00) and 0.95 (95% CI 0.90 to 1.00) for distinguishing dysplasia from SCC and hyperplasia from dysplasia, respectively. Conclusion DR spectral data efficiently discriminate healthy tissue from oral malignant lesions. Diagnostic accuracies obtained in this study highlight the potential use of this method for routine clinical practice. PMID:22021749

  6. Detection limits for blood on four fabric types using infrared diffuse reflection spectroscopy in mid- and near-infrared spectral windows.

    Science.gov (United States)

    DeJong, Stephanie A; Lu, Zhenyu; Cassidy, Brianna M; O'Brien, Wayne L; Morgan, Stephen L; Myrick, Michael L

    2015-09-01

    Detection limits (DL) for blood on four fabric types were estimated for calibrations derived using partial least squares regression applied to infrared (IR) diffuse reflection spectra. Samples were prepared by dip-coating acrylic, cotton, nylon, and polyester fabrics from solutions of diluted rat blood. While DLs often appear in terms of dilution factor in the forensic community, mass percentage, coverage (mass per unit area), or film thickness are often more relevant when comparing experimental methods. These alternate DL units are related to one another and presented here. The best IR diffuse reflection DLs for blood on acrylic and cotton fabrics were in the mid-IR spectral window corresponding to the protein Amide I/II absorption bands. These DLs were dilution by a factor of 2300 (0.019% w/w blood solids) for acrylic and a factor of 610 (0.055% w/w blood solids) for cotton. The best DL for blood on polyester was found in the mid-IR spectral window corresponding to the protein Amide A absorption band at dilution by a factor of 900 (0.034% w/w blood solids). Because of the similarity between the IR spectra of blood solids and nylon fabrics, no satisfactory IR DLs were determined for the calibration of blood on nylon. We compare our values to DLs reported for blood detection using the standard luminol method. The most commonly reported luminol DLs are of the order of 1000-fold dilution, which we estimate are a factor of 2-7 lower than our reported IR DLs on a coverage basis.

  7. Application of Near Infrared Diffuse Reflectance Spectroscopy with Radial Basis Function Neural Network to Determination of Rifampincin Isoniazid and Pyrazinamide Tablets

    Institute of Scientific and Technical Information of China (English)

    DU Lin-na; WU Li-hang; LU Jia-hui; GUO Wei-liang; MENG Qing-fan; JIANG Chao-jun; SHEN Si-le; TENG Li-rong

    2007-01-01

    Partial least squares(PLS), back-propagation neural network (BPNN) and radial basis function neural network(RBFNN) were respectively used for estalishing quantative analysis models with near infrared(NIR) diffuse reflectance spectra for determining the contents of rifampincin(RMP), isoniazid(INH) and pyrazinamide(PZA) in rifampicin isoniazid and pyrazinamide tablets. Savitzky-Golay smoothing, first derivative, second derivative, fast Fourier transform(FFT) and standard normal variate(SNV) transformation methods were applied to pretreating raw NIR diffuse reflectance spectra. The raw and pretreated spectra were divided into several regions, depending on the average spectrum and RSD spectrum. Principal component analysis(PCA) method was used for analyzing the raw and pretreated spectra in different regions in order to reduce the dimensions of input data. The optimum spectral regions and the models' parameters were chosen by comparing the root mean square error of cross-validation(RMSECV) values which were obtained by leave-one-out cross-validation method. The RMSECV values of the RBFNN models for determining the contents of RMP, INH and PZA were 0.00288, 0.00226 and 0.00341, respectively. Using these models for predicting the contents of INH, RMP and PZA in prediction set, the RMSEP values were 0.00266, 0.00227 and 0.00411, respectively. These results are better than those obtained from PLS models and BPNN models. With additional advantages of fast calculation speed and less dependence on the initial conditions, RBFNN is a suitable tool to model complex systems.

  8. Measurement of drug and macromolecule diffusion across atherosclerotic rabbit aorta ex vivo by attenuated total reflection-Fourier transform infrared imaging

    Science.gov (United States)

    Palombo, Francesca; Danoux, Charlène B.; Weinberg, Peter D.; Kazarian, Sergei G.

    2009-07-01

    Diffusion of two model drugs-benzyl nicotinate and ibuprofen-and the plasma macromolecule albumin across atherosclerotic rabbit aorta was studied ex vivo by attenuated total reflection-Fourier transform infrared (ATR-FTIR) imaging. Solutions of these molecules were applied to the endothelial surface of histological sections of the aortic wall that were sandwiched between two impermeable surfaces. An array of spectra, each corresponding to a specific location in the section, was obtained at various times during solute diffusion into the wall and revealed the distribution of the solutes within the tissue. Benzyl nicotinate in Ringer's solution showed higher affinity for atherosclerotic plaque than for apparently healthy tissue. Transmural concentration profiles for albumin demonstrated its permeation across the section and were consistent with a relatively low distribution volume for the macromolecule in the middle of the wall. The ability of albumin to act as a drug carrier for ibuprofen, otherwise undetected within the tissue, was demonstrated by multivariate subtraction image analysis. In conclusion, ATR-FTIR imaging can be used to study transport processes in tissue samples with high spatial and temporal resolution and without the need to label the solutes under study.

  9. [Determination of Alcoholysis Degree and Volatile Matter of Poly-Vinyl Alcohol Using Diffuse-Reflection Near Infrared Spectroscopy].

    Science.gov (United States)

    Xie, Jin-chun; Yuan, Hong-fu; Yan, Xiang-jun; Zhao, Xin-liang; Song, Chun-feng; Wang, Xiao-ming; Li, Xiao-yu

    2016-01-01

    A new method using reflection NIR technology was developed to determine the alcoholysis degree and volatile matter of Poly-vinyl alcohol (PVA). 120 samples were used in this research. NIR spectra of the sample were scanned by the spectrometer from 1 000 to 1 800 nm. The alcoholysis degree and volatile matter were determined by the national standard method of volumetric and gravimetric method respectivily. Partial least squares (PLS1) was used to establish the quantitative correction model of alcoholysis degree and volatile matter of PVA. The corrected relationship (Rc) of alcoholysis degree and volatile matter was 0.976 and 0.981 respectively. The corrected standard deviation(SEC) was 0.176 and 0.197. The predicted relationship (R(p)) was 0.967 and 0.969. The predicted deviation(SEP) was 0.202 and 0.193. The test for actual samples showed that the NIR method was fitted for the requirement of PVA analysis.

  10. Provenance of Holocene sediment on the Chukchi-Alaskan margin based on combined diffuse spectral reflectance and quantitative X-Ray Diffraction analysis

    Science.gov (United States)

    Ortiz, J.D.; Polyak, L.; Grebmeier, J.M.; Darby, D.; Eberl, D.D.; Naidu, S.; Nof, D.

    2009-01-01

    Sediment clay and silt mineral assemblages provide an excellent means of assessing the provenance of fine-grained Arctic sediment especially when a unique mineral assemblage can be tied to specific source areas. The diffuse spectral reflectance (DSR) first derivative measurements and quantitative X-Ray Diffraction (qXRD) on a high-resolution sediment core from the continental slope north of Alaska constrain the sediment mineralogy. DSR results are augmented by measurements on several adjacent cores and compared to surface sediment samples from the northern Alaskan shelf and slope. Using Principal Component Analysis (PCA), we infer that the three leading DSR modes relate to mixtures of smectite + dolomite, illite + goethite, and chlorite + muscovite. This interpretation is consistent with the down core qXRD results. While the smectite + dolomite, and illite + goethite factors show increased variability down core, the chlorite + muscovite factor had highest positive loadings in the middle Holocene, between ca. 6.0 and 3.6??ka. Because the most likely source of the chlorite + muscovite suite in this vicinity lies in the North Pacific, we argue that the oscillations in chlorite + muscovite values likely reflect an increase in the inflow of Pacific water to the Arctic through the Bering Strait. The time interval of this event is associated in other parts of the globe with a non-linear response of the climate system to the decrease in insolation, which may be related to changes in water exchange between the Pacific and Arctic Ocean. ?? 2009 Elsevier B.V.

  11. An approach by using near-infrared diffuse reflectance spectroscopy and resin adsorption for the determination of copper, cobalt and nickel ions in dilute solution.

    Science.gov (United States)

    Sheng, Nan; Cai, Wensheng; Shao, Xueguang

    2009-07-15

    Near-infrared spectroscopy (NIRS) has been proved to be a powerful analytical tool and used in various fields, it is seldom, however, used in the analysis of metal ions in solutions. A method for quantitative determination of metal ions in solution is developed by using resin adsorption and near-infrared diffuse reflectance spectroscopy (NIRDRS). The method makes use of the resin adsorption for gathering the analytes from a dilute solution, and then NIRDRS of the adsorbate is measured. Because both the information of the metal ions and their interaction with the functional group of resin can be reflected in the spectrum, quantitative determination is achieved by using multivariate calibration technique. Taking copper (Cu(2+)), cobalt (Co(2+)) and nickel (Ni(2+)) as the analyzing targets and D401 resin as the adsorbent, partial least squares (PLS) model is built from the NIRDRS of the adsorbates. The results show that the concentrations that can be quantitatively detected are as low as 1.00, 1.98 and 1.00 mg L(-1) for Cu(2+), Co(2+) and Ni(2+), respectively, and the coexistent ions do not influence the determination.

  12. [Study of the last glacial loess-like deposits in the coastal area of South China with diffuse reflectance spectroscopy and laser particle size analysis].

    Science.gov (United States)

    Wang, Jing; Chen, Zhen; Chen, Guo-neng

    2014-11-01

    Newly discovered yellow silt widely distributed in the coastal area of south China was analyzed using diffuse reflectance spectroscopy (DRS) and laser particle size (LPS) methods in the present paper. The authors take the lead in trying to synthetically judge the depositional environment, transporting agent and forming mechanism of the yellow silt from angles of output forms of iron minerals as well as grain size distribution features of the samples chose from three representative sections and a drill core. The DRS first derivative curves show the peak height of iron minerals decreasing from hematite (565 nm) to goethite (505 and 435 nm), which reflects a relatively dry, cold climate that coincides with the aeolian loess widely distributed in the northwest China, but reverses of the fluvial and marine deposits which experienced a well hydration in humid conditions over a long period of time in study area. LPS analysis show that grain size from top to bottom of the sections and drill core are homogeneous and typical of aeolian sediments. The grain size distribution in the yellow silt is characterized by double peaks with main peak of 10-50 μm and a secondary peak of landforms and buried topographies in the coastal area of south China have this kind of sediments, the yellow silt is considered to represent an aeolian deposit formed during the last glacial period, which is called "loess-like deposits" in our study.

  13. Evaluation of light scattering properties and chromophore concentrations in skin tissue based on diffuse reflectance signals at isosbestic wavelengths of hemoglobin

    Science.gov (United States)

    Yokokawa, Takumi; Nishidate, Izumi

    2016-04-01

    We investigate a method to evaluate light-scattering properties and chromophore concentrations in human skin tissue through diffuse reflectance spectroscopy using the reflectance signals acquired at isosbestic wavelengths of hemoglobin (420, 450, 500, and 585 nm). In the proposed method, Monte Carlo simulation-based empirical formulas are used to specify the scattering parameters of skin tissue, such as the scattering amplitude a and the scattering power b, as well as the concentration of melanin C m and the total blood concentration C tb. The use of isosbestic wavelengths of hemoglobin enables the values of C m, C tb, a, and b to be estimated independently of the oxygenation of hemoglobin. The spectrum of the reduced scattering coefficient is reconstructed from the scattering parameters. Experiments using in vivo human skin tissues were performed to confirm the feasibility of the proposed method for evaluating the changes in scattering properties and chromophore concentrations in skin tissue. The experimental results revealed that light scattering is significantly reduced by the application of a glycerol solution, which indicates an optical clearing effect due to osmotic dehydration and the matching of the refractive indices of scatterers in the epidermis.

  14. An attenuated total reflection Fourier transform infrared (ATR FT-IR) spectroscopic study of gas adsorption on colloidal stearate-capped ZnO catalyst substrate.

    Science.gov (United States)

    Silverwood, Ian P; Keyworth, Colin W; Brown, Neil J; Shaffer, Milo S P; Williams, Charlotte K; Hellgardt, Klaus; Kelsall, Geoff H; Kazarian, Sergei G

    2014-01-01

    Attenuated total reflection Fourier transform infrared (ATR FT-IR) spectroscopy has been applied in situ to study gas adsorption on a colloidal stearate-capped zinc oxide (ZnO) surface. Infrared spectra of a colloidal stearate-capped ZnO catalyst substrate were assigned at room temperature using zinc stearate as a reference compound. Heating was shown to create a monodentate species that allowed conformational change to occur, leading to altered binding geometry of the stearate ligands upon cooling. CO2 and H2 adsorption measurements demonstrated that the ligand shell was permeable and did not cover the entire surface, allowing adsorption and reaction with at least some portion of the ZnO surface. It has been demonstrated that stearate ligands did not prevent the usual chemisorption processes involved in catalytic reactions on a model ZnO catalyst system, yet the ligand-support system is dynamic under representative reaction conditions.

  15. Spectroscopic investigations on NO+(X1∑+, a3∑+,A1Ⅱ) ion using multi-reference configuration interaction method and correlation-consistent sextuple basis set augmented with diffuse functions

    Institute of Scientific and Technical Information of China (English)

    Zhang Jin-Ping; Cheng Xin-Lu; Zhang Hong; Yang Xiang-Dong

    2011-01-01

    Three low-lying electronic states (X1∑+, a3∑+, and A1Ⅱ) of NO+ ion are studied using the complete active space self-consistent-field (CASSCF) method followed by highly accurate valence internally contracted multi-reference configuration interaction (MRCI) approach in combination of the correlation-consistent sextuple basis set augmented with diffuse functions, aug-cc-pV6Z. The potential energy curves (PECs) of the NO+(X1∑+, a3∑+, A1Ⅱ) are calculated. Based on the PECs, the spectroscopic parameters Re, De, ωe, ωeXe, αe, Be, and D0 are reproduced, which are in excellent agreement with the available measurements. By numerically solving the radial Schr(o)dinger equation of nuclear motion using the Numerov method, the first 20 vibrational levels, inertial rotation and centrifugal distortion constants of NO+(X1∑+, a3∑+, A1Ⅱ) ion are derived when the rotational quantum number J is equal to zero (J = 0)for the first time, which accord well with the available measurements. Finally, the analytical potential energy functions of these states are fitted, which are used to accurately derive the first 20 classical turning points when J = 0. These results are compared in detail with those of previous investigations reported in the literature.

  16. Discrimination of various paper types using diffuse reflectance ultraviolet-visible near-infrared (UV-Vis-NIR) spectroscopy: forensic application to questioned documents.

    Science.gov (United States)

    Kumar, Raj; Kumar, Vinay; Sharma, Vishal

    2015-06-01

    Diffuse reflectance ultraviolet-visible-near-infrared (UV-Vis-NIR) spectroscopy is applied as a means of differentiating various types of writing, office, and photocopy papers (collected from stationery shops in India) on the basis of reflectance and absorbance spectra that otherwise seem to be almost alike in different illumination conditions. In order to minimize bias, spectra from both sides of paper were obtained. In addition, three spectra from three different locations (from one side) were recorded covering the upper, middle, and bottom portions of the paper sample, and the mean average reflectivity of both the sides was calculated. A significant difference was observed in mean average reflectivity of Side A and Side B of the paper using Student's pair >t-test. Three different approaches were used for discrimination: (1) qualitative features of the whole set of samples, (2) principal component analysis, and (3) a combination of both approaches. On the basis of the first approach, i.e., qualitative features, 96.49% discriminating power (DP) was observed, which shows highly significant results with the UV-Vis-NIR technique. In the second approach the discriminating power is further enhanced by incorporating the principal component analysis (PCA) statistical method, where this method describes each UV-Vis spectrum in a group through numerical loading values connected to the first few principal components. All components described 100% variance of the samples, but only the first three PCs are good enough to explain the variance (PC1 = 51.64%, PC2 = 47.52%, and PC3 = 0.54%) of the samples; i.e., the first three PCs described 99.70% of the data, whereas in the third approach, the four samples, C, G, K, and N, out of a total 19 samples, which were not differentiated using qualitative features (approach no. 1), were therefore subjected to PCA. The first two PCs described 99.37% of the spectral features. The discrimination was achieved by using a loading plot between

  17. In situ Fourier transform-infrared internal reflection spectroscopic analysis of hydrocarbon chain ordering of surfactants adsorbed at mineral oxide surfaces

    Science.gov (United States)

    Cross, William Murray

    The adsorption of surfactants at mineral oxide surfaces was investigated by in situ Fourier transform infrared internal reflection spectroscopy (FT-IR/IRS), and contact angle goniometry. FT-IR/IRS was used to determine both adsorption isotherms and the enthalpy of adsorption. Furthermore, the conformation and orientation of the hydrocarbon chain of SDS adsorbed at a sapphire internal reflection element (IRE) were determined. Contact angle goniometry was used to measure the effect of the surface phase of the surfactant on the hydrophobic character of sapphire surfaces in aqueous solutions. For SDS adsorbed by sapphire, in situ FT-IR/IRS experiments indicate that a surface phase transition occurs at an adsorption density of 2 to 3 x 10-10 mol/cm2 for both pD 2.9 and 6.9. This transition is characterized by a two to four wavenumber shift in the position of the asymmetric -CH2 stretching band. Based on solution spectroscopy studies, the surface phase was found to be similar to solution phase micelles and liquid crystals for adsorption densities less than the adsorption density of the surface phase transition. Whereas for adsorption densities in excess of the adsorption density of the surface phase transition, the surface phase resembled a solution phase coagel species. It was also found that the contact angle of an air bubble at the sapphire surface exhibited a sharp decrease at the adsorption density corresponding to the surface phase transition The effect of temperature on adsorption and phase behavior of SDS at the sapphire IRE surface was also determined. It was shown that a surface phase transition similar to that discussed occurred at approximately 298 K. The adsorption reaction was found to be exothermic, with a heat of adsorption of --1.3 kcal/mole for adsorption densities less than the adsorption density of the surface phase transition at 298 K and --4.1 kcal/mole for adsorption densities greater than the adsorption density of the surface phase transition

  18. Infrared reflection absorption spectroscopic study on the adsorption structures of ethylene on Ag(110) and atomic oxygen pre-covered Ag(110) surfaces

    Science.gov (United States)

    Akita, Masato; Osaka, Naoki; Hiramoto, Shuji; Itoh, Koichi

    1999-06-01

    Infrared reflection absorption spectra in the CH 2 out-of-plane wagging (ω(CH 2)) vibration region were measured for ethylene (C 2H 4) adsorbed on Ag(110) as well as on the oxygen-induced p( n×1) reconstructed surfaces of Ag(110) ( n=2, 3, 4 and 6) at 80 K. C 2H 4 on Ag(110) gives a main peak at 955 cm -1, while on p(2×1)O-Ag(110) it exhibits a broad features of at least four components (997, 984, 970 and 954 cm -1) at saturation coverage. C 2H 4 on p( n×1)O-Ag(110) ( n=6, 4, 3) gives rise to a 972-976 cm -1 band at low exposures, shifting to 966-970 cm -1 at saturation coverage. The spectral changes are interpreted by assuming a pair of adsorption sites on both sides of the added Ag-O rows of the reconstructed surfaces.

  19. In situ UV–Vis diffuse reflectance spectroscopy — on line activity measurements of supported chromium oxide catalysts: relating isobutane dehydrogenation activity with Cr-speciation via experimental design

    NARCIS (Netherlands)

    Weckhuysen, B.M.; Verberckmoes, A.A.; Debaere, J.; Ooms, K.; Langhans, I.; Schoonheydt, R.A.

    2000-01-01

    The dehydrogenation of isobutane over supported chromium oxide catalysts was studied by a combination of in situ UV–Vis diffuse reflectance spectroscopy and on line GC analysis. A well-defined set of experiments, based on an experimental design, was carried out to develop mathematical models, which

  20. Spectroscopic data

    CERN Document Server

    Melzer, J

    1976-01-01

    During the preparation of this compilation, many people contributed; the compilers wish to thank all of them. In particular they appreciate the efforts of V. Gilbertson, the manuscript typist, and those of K. C. Bregand, J. A. Kiley, and W. H. McPherson, who gave editorial assistance. They would like to thank Dr. J. R. Schwartz for his cooperation and encouragement. In addition, they extend their grati­ tude to Dr. L. Wilson of the Air Force Weapons Laboratory, who gave the initial impetus to this project. v Contents I. I ntroduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 . . . . . . . . . . . . . . . . 11. Organization ofthe Spectroscopic Table. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2 Methods of Production and Experimental Technique . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2 Band Systems . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2...

  1. Innovative analytical methodology combining micro-x-ray diffraction, scanning electron microscopy-based mineral maps, and diffuse reflectance infrared fourier transform spectroscopy to characterize archeological artifacts.

    Science.gov (United States)

    Cardell, Carolina; Guerra, Isabel; Romero-Pastor, Julia; Cultrone, Giuseppe; Rodriguez-Navarro, Alejandro

    2009-01-15

    Excavations at the 14th century Moorish rampart (Granada, Spain) unearthed a brick oven alongside black ash and bone stratigraphic layers. In situ evidence suggests the oven served to fabricate a wall coating including powdered burnt bones. Original ad hoc analyses improved on conventional methods were used to confirm this hypothesis. These methods enable (i) nondestructive micro-X-ray diffraction (mu-XRD) for fast mineralogical data acquisition (approximately 10 s) and moderately high spatial (approximately 500 microm) resolution and (ii) identification and imaging of crystalline components in sample cross-sections via mineral maps, yielding outstanding visualization of grain distribution and morphology in composite samples based on scanning electron microscopy-energy dispersion X-ray spectrometry (SEM-EDX) elemental maps. Benefits are shown for applying diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) vs transmittance-FT-IR (T-FT-IR) to analyze organic and inorganic components in single samples. Complementary techniques to fully characterize artifacts were gas chromatography/mass spectroscopy (GC/MS), optical microscopy (OM), conventional powder XRD, and (14)C dating. Bone-hydroxyapatite was detected in the coating. Mineralogical transformations in the bricks indicate oven temperatures well above 1000 degrees C, supporting the hypothesis.

  2. Quantitative assessment of hemodynamic and structural characteristics of in vivo brain tissue using total diffuse reflectance spectrum measured in a non-contact fashion.

    Science.gov (United States)

    Song, Yinchen; Garcia, Sarahy; Frometa, Yisel; Ramella-Roman, Jessica C; Soltani, Mohammad; Almadi, Mohamed; Riera, Jorge J; Lin, Wei-Chiang

    2017-01-01

    Here we present a new methodology that investigates the intrinsic structural and hemodynamic characteristics of in vivo brain tissue, in a non-contact fashion, and can be easily incorporated in an intra-operative environment. Within this methodology, relative total diffuse reflectance spectra (RTD(λ)) were acquired from targets using a hybrid spectroscopy imaging system. A spectral interpretation algorithm was subsequently applied to RTD(λ) to retrieve optical properties related to the compositional and structural characteristics of each target. Estimation errors of the proposed methodology were computationally evaluated using a Monte Carlo simulation model for photon migration under various conditions. It was discovered that this new methodology could handle moderate noise and achieve very high accuracy, but only if the refractive index of the target is known. The accuracy of the technique was also validated using a series of tissue phantom studies, and consistent and accurate estimates of μs'(λ)/μa(λ) were obtained from all the phantoms tested. Finally, a small-scale animal study was conducted to demonstrate the clinical utility of the reported method, wherein a forepaw stimulation model was utilized to induce transient hemodynamic responses in somatosensory cortices. With this approach, significant stimulation-related changes (p < 0.001) in cortical hemodynamic and structural characteristics were successfully measured.

  3. Nanostructure copper oxocobaltate fabricated by co-precipitation route using copper and cobalt nitrate as precursors: characterization by combined diffuse reflectance and FT infrared spectra.

    Science.gov (United States)

    Habibi, Mohammad Hossein; Rezvani, Zoya

    2014-09-15

    Nanostructure copper oxocobaltate has been fabricated by a co-precipitation route using copper and cobalt nitrate as precursors. The physicochemical properties of copper cobaltate have been characterized via X-ray powder diffractometry (XRD) and field emission scanning electron microscopy (FESEM). The X-ray diffraction patterns indicates the presence of a spinel crystalline phase, (Cu0.30Co0.70)Co2O4, copper oxocobaltate with face-centered cubic lattice and Fd3m space group. FESEM images also illustrated a typical hexagonal morphology with particle size 25 nm, showing a good nanoscale crystalline morphology, which corresponds well with their XRD results. The FTIR spectra confirmed the presence of hydroxyl groups bonded to the metals, stretching vibration of the cobalt-oxygen bond in an octahedral coordination and the characteristic band assigned to the vibration of Cu-O bond. UV-VIS diffuse reflectance spectrum shows a broad band over the whole visible range and broad band between 200 nm and 390 nm ascribed to the ligand to metal charge transfer.

  4. Near-infrared diffuse reflectance spectroscopy with sample spots and chemometrics for fast determination of bovine serum albumin in micro-volume samples

    Institute of Scientific and Technical Information of China (English)

    Cai-Jing Cui; Wen-Sheng Cai; Xue-Guang Shao

    2013-01-01

    Near-infrared diffuse reflectance spectroscopy (NIRDRS) has attracted more and more attention in analyzing the components in samples with complex matrices.However,to apply this technique to micro-analysis,there are still some obstacles to overcome such as the low sensitivity and spectral overlapping associated with this approach.A method for fast determination of bovine serum albumin (BSA) in micro-volume samples was studied using NIRDRS with sample spots and chemometric techniques.10 μL of sample spotted on a filter paper substrate was used for the spectral measurements.Quantitative analysis was obtained by partial least squares (PLS) regression with signal processing and variable selection.The results show that the correlation coefficient (R) between the predicted and the reference concentration is 0.9897 and the recoveries are in the range of 87.4%-114.4% for the validation samples in the concentration range of 0.61-8.10 mg/mL.These results suggest that the method has the potential to quickly measure proteins in micro-volume solutions.

  5. Quantitative assessment of hemodynamic and structural characteristics of in vivo brain tissue using total diffuse reflectance spectrum measured in a non-contact fashion

    Science.gov (United States)

    Song, Yinchen; Garcia, Sarahy; Frometa, Yisel; Ramella-Roman, Jessica C.; Soltani, Mohammad; Almadi, Mohamed; Riera, Jorge J.; Lin, Wei-Chiang

    2016-01-01

    Here we present a new methodology that investigates the intrinsic structural and hemodynamic characteristics of in vivo brain tissue, in a non-contact fashion, and can be easily incorporated in an intra-operative environment. Within this methodology, relative total diffuse reflectance spectra (RTD(λ)) were acquired from targets using a hybrid spectroscopy imaging system. A spectral interpretation algorithm was subsequently applied to RTD(λ) to retrieve optical properties related to the compositional and structural characteristics of each target. Estimation errors of the proposed methodology were computationally evaluated using a Monte Carlo simulation model for photon migration under various conditions. It was discovered that this new methodology could handle moderate noise and achieve very high accuracy, but only if the refractive index of the target is known. The accuracy of the technique was also validated using a series of tissue phantom studies, and consistent and accurate estimates of μs’(λ)/μa(λ) were obtained from all the phantoms tested. Finally, a small-scale animal study was conducted to demonstrate the clinical utility of the reported method, wherein a forepaw stimulation model was utilized to induce transient hemodynamic responses in somatosensory cortices. With this approach, significant stimulation-related changes (p < 0.001) in cortical hemodynamic and structural characteristics were successfully measured. PMID:28101403

  6. Optimizing the models for rapid determination of chlorogenic acid, scopoletin and rutin in plant samples by near-infrared diffuse reflectance spectroscopy

    Science.gov (United States)

    Mao, Zhiyi; Shan, Ruifeng; Wang, Jiajun; Cai, Wensheng; Shao, Xueguang

    2014-07-01

    Polyphenols in plant samples have been extensively studied because phenolic compounds are ubiquitous in plants and can be used as antioxidants in promoting human health. A method for rapid determination of three phenolic compounds (chlorogenic acid, scopoletin and rutin) in plant samples using near-infrared diffuse reflectance spectroscopy (NIRDRS) is studied in this work. Partial least squares (PLS) regression was used for building the calibration models, and the effects of spectral preprocessing and variable selection on the models are investigated for optimization of the models. The results show that individual spectral preprocessing and variable selection has no or slight influence on the models, but the combination of the techniques can significantly improve the models. The combination of continuous wavelet transform (CWT) for removing the variant background, multiplicative scatter correction (MSC) for correcting the scattering effect and randomization test (RT) for selecting the informative variables was found to be the best way for building the optimal models. For validation of the models, the polyphenol contents in an independent sample set were predicted. The correlation coefficients between the predicted values and the contents determined by high performance liquid chromatography (HPLC) analysis are as high as 0.964, 0.948 and 0.934 for chlorogenic acid, scopoletin and rutin, respectively.

  7. GEMAS: prediction of solid-solution partitioning coefficients (Kd) for cationic metals in soils using mid-infrared diffuse reflectance spectroscopy.

    Science.gov (United States)

    Janik, Leslie J; Forrester, Sean T; Soriano-Disla, José M; Kirby, Jason K; McLaughlin, Michael J; Reimann, Clemens

    2015-02-01

    Partial least squares regression (PLSR) models, using mid-infrared (MIR) diffuse reflectance Fourier-transformed (DRIFT) spectra, were used to predict distribution coefficient (Kd) values for selected added soluble metal cations (Ag(+), Co(2+), Cu(2+), Mn(2+), Ni(2+), Pb(2+), Sn(4+), and Zn(2+)) in 4813 soils of the Geochemical Mapping of Agricultural Soils (GEMAS) program. For the development of the PLSR models, approximately 500 representative soils were selected based on the spectra, and Kd values were determined using a single-point soluble metal or radioactive isotope spike. The optimum models, using a combination of MIR-DRIFT spectra and soil pH, resulted in good predictions for log Kd+1 for Co, Mn, Ni, Pb, and Zn (R(2) ≥ 0.83) but poor predictions for Ag, Cu, and Sn (R(2)  Kd+1 values in the remaining 4313 unknown soils. The PLSR models provide a rapid and inexpensive tool to assess the mobility and potential availability of selected metallic cations in European soils. Further model development and validation will be needed to enable the prediction of log K(d+1) values in soils worldwide with different soil types and properties not covered in the existing model.

  8. The application of diffuse reflectance infrared spectroscopy and temperature-programmed desorption to investigate the interaction of methanol on eta-alumina.

    Science.gov (United States)

    McInroy, Alastair R; Lundie, David T; Winfield, John M; Dudman, Chris C; Jones, Peter; Lennon, David

    2005-11-22

    The adsorption of methanol and its subsequent transformation to form dimethyl ether (DME) on a commercial grade eta-alumina catalyst has been investigated using a combination of mass selective temperature-programmed desorption (TPD) and diffuse reflectance infrared spectroscopy (DRIFTS). The infrared spectrum of a saturated overlayer of methanol on eta-alumina shows the surface to be comprised of associatively adsorbed methanol and chemisorbed methoxy species. TPD shows methanol and DME to desorb with respective maxima at 380 and 480 K, with desorption detectable for both molecules up to ca. 700 K. At 673 K, infrared spectroscopy reveals the formation of a formate species; the spectral line width of the antisymmetric C-O stretch indicates the adoption of a high symmetry adsorbed state. Conventional TPD using a tubular reactor, combined with mass spectrometric analysis of the gas stream exiting the IR cell, indicate hydrogen and methane evolution to be associated with formation of the surface formate group and CO evolution with its decomposition. A reaction scheme is proposed for the generation and decomposition of this important reaction intermediate. The overall processes involved in (i) the adsorption/desorption of methanol, (ii) the transformation of methanol to DME, and (iii) the formation and decomposition of formate species are discussed within the context of a recently developed four-site model for the Lewis acidity of eta-alumina.

  9. 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.

  10. Infra-red reflection absorption spectroscopic study on adsorption structures of acrolein on polycrystalline gold and Au(111) surfaces under ultra-high vacuum conditions

    Science.gov (United States)

    Akita, M.; Osaka, N.; Itoh, K.

    1998-05-01

    Infra-red reflection absorption (IRA) spectra were measured at 80 K under ultra-high vacuum conditions for acrolein adsorbed on two kinds of gold films; Au(111) and polycrystalline gold surfaces. Upon increasing the amount of exposure from 0.02 to 200 L (1 L=1×10 -6 Torr·s), the adsorbate at Au(111) gave rise to a series of sharp IRA bands due to a CH 2 out-of-plane wagging vibration [ ω(CH 2)] successively, indicating discrete adsorption states, i.e. 964 (type 1)→978(type 1')→991(type 2)→1003 cm -1(type 3). All these states have the molecular plane parallel to the surface; type 1 is in an isolated state, and type 2 is in an associated state with a two-dimensional arrangement, whereas type 3 forms an ordered multilayered structure. Type 1' was tentatively assigned either to a trapped state at step sites or to an associated state forming small oligomers at the surface. Only type 3 gives rise to IRA bands due to ν(CO), which appears at 1677 cm -1 as a singlet at relatively small exposure levels and splits into doublets, giving the 1686 and 1672 cm -1 components at 2.0 L. The doublets were explained as being due to a crystal field splitting, which conforms to the fact that the adsorbate forms an ordered three-dimensional arrangement. The IRA spectrum of type 3 is readily converted to that of a more stable polycrystalline state upon increasing the temperature from 80 to 100 K. Thus, type 3 is a thermodynamically metastable state. Acrolein adsorbed on a polycrystalline gold film assumes an amorphous state in the exposure level of 0.06-4.8 L, giving broad IRA bands due to ν(CO) and ω(CH 2) in the 1686-1699 and 974-991 cm -1 regions, respectively. The IRA spectra of acrolein adsorbed on Ag(111) were also measured, which indicated that the adsorbates exist in a less ordered state than those on Au(111), although a multilayered structure gives IRA features that are almost identical with those of type 3.

  11. Attenuated Total Reflection-Fourier Transform Infrared Spectroscopic Study of Dried Shark Fin Products%鱼翅干制品品质的ATR-FTIR鉴别研究

    Institute of Scientific and Technical Information of China (English)

    韩婉清; 罗海英; 冼燕萍; 罗东辉; 穆同娜; 郭新东

    2015-01-01

    Sixty-four pieces of shark fin dried products (including real,fake and artificial shark fin products)and real products coated with gelatin were rapidly and nondestructively analyzed by attenuated total reflection-Fourier transform infrared spectros-copy (ATR-FTIR).The characteristic of IR spectrograms among the above four kinds of samples were systematically studied and comparied,the results showed that the spectrograms of the same kind of samples were repeatable,and different kinds of shark fin products presented significant differences in the spectrograms,which mainly manifested as the specific absorption peaks of amido bonds in protein (1 650,1 544 cm-1 )and skeletal vibration in polysaccharide (1 050 cm-1 ).The spectrograms of real shark fins were characterized by the strong absorption peaks of protein characteristic amide Ⅰ and Ⅱ absorbent (1 650,1 544 cm-1 )and relatively weak C—O—C vibration absorbent (1 050 cm-1 )owing to the high content of protein and relatively low level of polysaccharide.For fake shark fin products that were molded form by mixing together with the offcut of shark,collagen and other substances,the introduction of non-protein materials leaded to the weaker amido bonds absorbent than real products along with a 30 cm-1 blue shift of amide Ⅰabsorbent.Opposite to the real sample,the relatively strong absorption peak of poly-saccharide (~1 047 cm-1 )and barely existed amide absorbent were the key features of the spectrogram of artificial samples, which was synthersized by polysaccharide like sodium alginate.Real samples coated with gelatin,the peak strength of protein and polysaccharide were decreased simultaneously when the data collection was taken at the surface of sample,while the spectro-gram presented no significant difference to real samples when the data was collected in the section.The results above indicated that by analyzing the characteristic of IR spectrograms and the value range of Apro/Apol collected by ATR

  12. Multi-pass spectroscopic ellipsometry

    Energy Technology Data Exchange (ETDEWEB)

    Stehle, Jean-Louis [Sopralab, 7 rue du Moulin des Bruyeres, 92400 Courbevoie (France); Samartzis, Peter C., E-mail: sama@iesl.forth.gr [Institute of Electronic Structure and Laser, Foundation of Research and Technology-Hellas, Vassilika Vouton 71110, Heraklion Crete (Greece); Stamataki, Katerina [Institute of Electronic Structure and Laser, Foundation of Research and Technology-Hellas, Vassilika Vouton 71110, Heraklion Crete (Greece); Department of Chemistry, University of Crete, Voutes, 71003, Heraklion (Greece); Piel, Jean-Philippe [Sopralab, 7 rue du Moulin des Bruyeres, 92400 Courbevoie (France); Katsoprinakis, George E.; Papadakis, Vassilis [Institute of Electronic Structure and Laser, Foundation of Research and Technology-Hellas, Vassilika Vouton 71110, Heraklion Crete (Greece); Schimowski, Xavier [Sopralab, 7 rue du Moulin des Bruyeres, 92400 Courbevoie (France); Rakitzis, T. Peter [Institute of Electronic Structure and Laser, Foundation of Research and Technology-Hellas, Vassilika Vouton 71110, Heraklion Crete (Greece); Department of Physics, University of Crete, Voutes, 71003, Heraklion (Greece); Loppinet, Benoit [Institute of Electronic Structure and Laser, Foundation of Research and Technology-Hellas, Vassilika Vouton 71110, Heraklion Crete (Greece)

    2014-03-31

    Spectroscopic ellipsometry is an established technique, particularly useful for thickness measurements of thin films. It measures polarization rotation after a single reflection of a beam of light on the measured substrate at a given incidence angle. In this paper, we report the development of multi-pass spectroscopic ellipsometry where the light beam reflects multiple times on the sample. We have investigated both theoretically and experimentally the effect of sample reflectivity, number of reflections (passes), angles of incidence and detector dynamic range on ellipsometric observables tanΨ and cosΔ. The multiple pass approach provides increased sensitivity to small changes in Ψ and Δ, opening the way for single measurement determination of optical thickness T, refractive index n and absorption coefficient k of thin films, a significant improvement over the existing techniques. Based on our results, we discuss the strengths, the weaknesses and possible applications of this technique. - Highlights: • We present multi-pass spectroscopic ellipsometry (MPSE), a multi-pass approach to ellipsometry. • Different detectors, samples, angles of incidence and number of passes were tested. • N passes improve polarization ratio sensitivity to the power of N. • N reflections improve phase shift sensitivity by a factor of N. • MPSE can significantly improve thickness measurements in thin films.

  13. Quantificação de óxidos de ferro de Latossolos brasileiros por espectroscopia de refletância difusa Quantification of iron oxides in Brazilian latosols by diffuse reflectance spectroscopy

    Directory of Open Access Journals (Sweden)

    R. B. A. Fernandes

    2004-04-01

    Full Text Available A cor é um dos principais atributos considerados na classificação dos solos, indicando a riqueza em matéria orgânica e a natureza mineralógica dos óxidos de ferro presentes. Este trabalho teve por objetivo avaliar a capacidade preditiva da cor do solo, determinada pela técnica de refletância difusa, na quantificação dos óxidos de Fe hematita e goethita em diferentes Latossolos brasileiros. Os espectros de refletância separaram os solos mais claros e amarelados dos mais escuros e de coloração vermelha mais intensa, indicando o aumento da refletividade decorrente da redução dos teores dos pigmentos hematita e matéria orgânica. A técnica espectroscópica permitiu a obtenção de valores de matizes mais precisos, com vantagem sobre a Caderneta de Munsell, que fornece dados a intervalos de 2,5 YR. A presença de hematita e goethita nas amostras foi facilmente identificada pela utilização da segunda derivada da função Kubelka-Munk. A similaridade dos espectros desta função, obtida para a terra fina, terra fina tratada com hipoclorito de sódio e fração argila, revela o pequeno efeito da matéria orgânica na expressão das curvas derivativas. Tais resultados indicam que esta técnica pode ser usada sem que seja necessária a separação da referida fração textural, como normalmente observado em outras técnicas de caracterização mineralógica. A segunda derivada da função Kubelka-Munk permitiu ainda a adequada estimativa dos teores de goethita e, principalmente, de hematita presentes nas diferentes amostras.Soil color is one of the central attributes in soil classification because it is related to the organic matter content and iron oxide mineralogy. The objective of this study was to make an evaluation of the predictive capacity of soil color, as determined by diffuse reflectance techniques, to quantify hematite and goethite in different Brazilian latosols (Oxisols. The spectroscopy technique allowed separating

  14. [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

  15. Structural and surface coverage effects on CO oxidation reaction over carbon-supported Pt nanoparticles studied by quadrupole mass spectrometry and diffuse reflectance FTIR spectroscopy.

    Science.gov (United States)

    Cheah, Seng Kian; Bernardet, Véronique P; Franco, Alejandro A; Lemaire, Olivier; Gelin, Patrick

    2016-06-01

    The CO oxidation reaction on carbon-supported Pt nanoparticles (average size of 2.8 to 7.7 nm) was studied under flowing conditions at atmospheric pressure and temperatures between 300 and 353 K by coupling quadrupole mass spectrometry (QMS) and diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS). The Pt loading was varied between 20 and 60 wt%. Gases diluted in He (0.5 mol%) were used together with Ar as a tracer. Reactions with CO and O2 introduced separately onto the samples were studied by QMS, applying successive step changes of the reaction mixtures. Variations in the rate of the reactions were observed and correlated with changes of the calculated coverage of the Pt surface by CO and/or O adspecies at varying steps of the experiment. The transient reaction of CO(g) with adsorbed O (Oad) was fast and mass transport-limited while that of O2(g) with adsorbed CO (COad) was sluggish. Following the same experimental procedures, FTIR spectra of adsorbed CO after varying steps were recorded, confirming the variations of COad and Oad as determined by QMS and indicating changes in the CO distribution over varying types of Pt surface sites. The influence of the adlayer composition (co-adsorption of COad and Oad), the particle size/structure and some possible surface reconstruction effects on the CO oxidation rate were evidenced and discussed. The structure of the Pt nanoparticles supported on carbon appears as an important factor for the efficiency of the so-called O2 bleeding as a CO mitigation strategy in polymer electrolyte membrane fuel cells.

  16. Rapid strain classification and taxa delimitation within the edible mushroom genus Pleurotus through the use of diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy.

    Science.gov (United States)

    Zervakis, Georgios I; Bekiaris, Georgios; Tarantilis, Petros Α; Pappas, Christos S

    2012-06-01

    Fourier transform infrared (FT-IR) spectroscopy has been successfully applied for the identification of bacteria and yeasts, but only to a limited extent for discriminating specific groups of filamentous fungi. In the frame of this study, 73 strains - from different associated hosts/substrates and geographic regions - representing 16 taxa of the edible mushroom genus Pleurotus (Basidiomycota, Agaricales) were examined through the use of diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy. A binary matrix, elaborated on the basis of presence/absence of specific absorbance peaks combined with cluster analysis, demonstrated that the spectral region 1800-600 cm(-1) permitted clear delimitation of individual strains into Pleurotus species. In addition, closely related species (e.g., Pleurotus ostreatus and Pleurotus pulmonarius) or taxa of the subgenus Coremiopleurotus demonstrated high similarity in their absorbance patterns, whereas genetically distinct entities such as Pleurotus dryinus, Pleurotus djamor, and Pleurotus eryngii provided spectra with noteworthy differences. When specific regions (1800-1700, 1360-1285, 1125-1068, and 950-650 cm(-1)) were evaluated in respect to the absorbance values demonstrated by individual strains, it was evidenced that this methodology could be eventually exploited for the identification of unknown Pleurotus specimens with a stepwise process and with the aid of a dichotomous key developed for this purpose. Moreover, it was shown that the nature of original fungal material examined (mycelium, basidiomata, and basidiospores) had an effect on the outcome of such analyses, and so did the use of different mycelium growth substrates. In conclusion, application of FT-IR spectroscopy provided a fast, reliable, and cost-efficient solution for the classification of pure cultures from closely related mushroom species.

  17. Qualitative and simultaneous quantitative analysis of cimetidine polymorphs by ultraviolet-visible and shortwave near-infrared diffuse reflectance spectroscopy and multivariate calibration models.

    Science.gov (United States)

    Feng, Yuyan; Li, Xiangling; Xu, Kailin; Zou, Huayu; Li, Hui; Liang, Bing

    2015-02-01

    The object of the present study was to investigate the feasibility of applying ultraviolet-visible and shortwave near-infrared diffuse reflectance spectroscopy (UV-vis-SWNIR DRS) coupled with chemometrics in qualitative and simultaneous quantitative analysis of drug polymorphs, using cimetidine as a model drug. Three polymorphic forms (A, B and D) and a mixed crystal (M1) of cimetidine, obtained by preparation under different crystallization conditions, were characterized by microscopy, X-ray powder diffraction (XRPD) and infrared spectroscopy (IR). The discriminant models of four forms (A, B, D and M1) were established by discriminant partial least squares (PLS-DA) using different pretreated spectra. The R and RMSEP of samples in the prediction set by discriminant model with original spectra were 0.9959 and 0.1004. Among the quantitative models of binary mixtures (A and D) established by partial least squares (PLS) and least squares-support vector machine (LS-SVM) with different pretreated spectra, the LS-SVM models based on original and MSC spectra had better prediction effect with a R of 1.0000 and a RMSEP of 0.0134 for form A, and a R of 1.0000 and a RMSEP of 0.0024 for form D. For ternary mixtures, the established PLS quantitative models based on normalized spectra had relatively better prediction effect for forms A, B and D with R of 0.9901, 0.9820 and 0.9794 and RMSEP of 0.0471, 0.0529 and 0.0594, respectively. This research indicated that UV-vis-SWNIR DRS can be used as a simple, rapid, nondestructive qualitative and quantitative method for the analysis of drug polymorphs. Copyright © 2014 Elsevier B.V. All rights reserved.

  18. [Using GA-dOSC method to eliminate interference of peel with prediction of apple firmness based on near infrared diffuse reflection spectra].

    Science.gov (United States)

    Shi, Bo-Lin; Qing, Zhao-Shen; Ji, Bao-Ping; Tu, Zhen-Hua; Zhu, Da-Zhou; Yin, Jing-Yuan

    2009-03-01

    In the present work, "Fuji" apples from Shandong Yantai were used to take the diffuse reflection spectra by FT-NIR PLS components (i.e., factors) were computed by nonlinear iterative partial least squares (NIPALS) and the number of latent factors (LV) was optimized by a leave-one-out cross-validation procedure on the calibration set. On the basis of partial least square (PLS) regression, the models for apples' firmness before and after peeling were compared. In order to eliminate the effect of apple peel on prediction, spectral pretreatments such as multiplicative scatter correction (MSC), derivative, direct orthogonal signal correction (DOSC) and wavelengths selection based on genetic algorithms (GA) were used. Finally, the results of different spectral treatments were compared. In conclusion, the RSDp of models for apples before and after peeling was 16.71% and 12.36%, respectively, suggesting that the apple peel played a negative role in constructing good predictive models. Moreover, the traditional spectral pretreatments (such as MSC, derivative) can hardly resolve the problem. In this research, GA-DOSC played an important role in reducing the interference of apple peel. It not only reduced the wavelength variables from 1480 to 36, but also reduced the latent variables from 5 to 1. The correlation coefficient (r) was improved from 0.753 to 0.805, and the RMSECV and RMESP were reduced from 1.019 kgf x cm(-2) and 1.197 kgf x cm(-2) to 0.919 kgf x cm(-2) and 0.924 kgf x cm(-2), respectively. Especially, the RSDp was decreased remarkably from 16.71% to 12.89%. The performance of the model after GA-DOSC treatment was similar to the model using spectra of apple flesh (12.36%). It was concluded that the prediction precision based on GA-DOSC satisfied the requirement of NIR non-destruction determination of apples firmness.

  19. Studies of ternary surface complexes at liquid-solid interfaces in seawater. 3: Comparative studies of the E(%)-pH curves and the diffuse reflectance IR spectra of the {alpha}-FeOOH-Cu(II)-tryptophan system

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Zhengbin; Wang Wei; Liu Liansheng; Fu Youjun; Wu Zhijian [Ocean Univ. of Qingdao (China). Inst. of Marine Chemistry

    1997-06-01

    The E(%)-pH curves of the ternary surface complexes at liquid-solid interfaces in the simulated seawater system of {alpha}-FeOOH-Cu(II)-tryptophan were determined. The diffuse reflectance IR spectra of the species at the solid surfaces in the above ternary equilibration system were examined. The above two results were comparatively studied. It is shown that the coadsorption of Cu(II) and tryptophan on {alpha}0FeOOH surface results in the formation of the ternary surface complex. Cu(II) can promote the exchange adsorption of tryptophan on {alpha}-FeOOH surface. The diffuse reflectance IR spectra can give one some evidence for the structure of the ternary surface complex, and these results are in accordance with the results of the E(%)-pH curves.

  20. Investigation of NO interaction on Rh/doped TiO2-based automotive catalyst using combined transient diffuse reflectance Fourier transform infrared and mass spectrometry

    Science.gov (United States)

    Chafik, T.; Ouassini, A.; Verykios, X. E.

    1998-07-01

    The interaction of NO with Rh supported on W+6 doped TiO2 has been investigated by coupling transient diffuse reflectance Fourier transform Infrared spectroscopy and mass spectrometry. The experiments were carried out in dynamic conditions (under reactant flow and at temperature reaction) at atmospheric pressure. By comparing the results obtained with undoped Rh/TiO2 and Rh/TiO2(W6+) catalysts, the analytical approach used permitted to emphasis the effect of carrier doping, with respect to the elementary steps and surface intermediates involved in NO interaction process. It was found that W6+-doping of TiO2 promotes significantly the formation of Rh-NO- species and enhances the thermal stability of Rh-NO+ on Rh/TiO2 (W6+) surfaces. This leads to a drastic increase in the selectivity of NO decomposition reaction towards N2 formation, whereas the N2O yield decreases significantly. L'intéraction de NO sur un catalyseur à base de rhodium supporté sur TiO2 dopé par le tungstène W6+ a été étudiée en régime transitoire par couplage de la spectroscopie Infrarouge Diffuse à Transformée de Fourier (DRIFT) et la spectrométrie de masse. Ces études ont été effectuées dans des conditions dynamiques (sous flux de réactifs gazeux et à la température de la réaction) à la pression atmosphérique. La comparaison des études menées avec des catalyseurs non dopé (Rh/TiO2) et dopé (Rh/TiO2(W6+)) a permis de mettre en évidence l'influence du dopage du support catalytique sur la nature des intermédiaires superficiels et les étapes élémentaires intervenant dans le processus d'interaction de NO avec ces solides. Il a été montré que le dopage de TiO2 par W6+ accroît la formation des espèces Rh-NO- et la stabilité thermique des espèces Rh-NO+ sur Rh/TiO2(W6+). Ceci est à l'origine de l'augmentation de la sélectivité de la conversion de NO en N2 suite à la diminution considérable de la quantité N2O formée.

  1. Joint derivation method for determining optical properties based on steady-state spatially resolved diffuse reflectance measurement at small source-detector separations and large reduced albedo range: theory and simulation.

    Science.gov (United States)

    Shi, Zhenzhi; Fan, Ying; Zhao, Huijuan; Xu, Kexin

    2012-06-01

    Accurate determination of the optical properties (the absorption coefficient μ(a) and the reduced scattering coefficient μ(s) (')) of tissues is very important in a variety of diagnostic and therapeutic procedures. Optical diffusion theory is frequently used as the forward model for describing the photon transfer in media with large reduced albedos (a(')) and in large source-detector separations (SDS). Several other methods (PN approximation, hybrid diffusion-P3 approximation) have also been published that describe photon transfer in media with low a(') or small SDSs. We studied the theoretical models for the steady-state spatially resolved diffuse reflectance measurement to accurately determine μ(a) and μ(s) (') at large a(') range but small SDSs. Instead of using a single model, a joint derivation method is proposed. The developed method uses one of the best aforementioned theoretical methods separately in five ranges of a(') determined from several forward models. In the region of small SDSs (the range between 0.4 and 8 mm) and large a(') range (between 0.5 and 0.99), the best theoretical derivation model was determined. The results indicate that the joint derivation method can improve the derivation accuracy and that a(') range can be determined by the steady-state spatially resolved diffuse reflectance measurement.

  2. [Rapid determination of the multi-marker ingredients in Heterosmilacis Japonicae Rhizoma and Sophorae Flavescentis Radix with near-infrared diffused reflection spectroscopy].

    Science.gov (United States)

    Zhao, Feng-Chun; Wan, Kai-Yang; Liu, Xiao-Qian; Zhang, Qi-Wei; Gao, Hui-Min; Wang, Zhi-Min

    2014-10-01

    A rapid NIRS method for determination of macrozamin in Heterosmilacis japonicae rhizoma (HJR), and the total content of oxymatrine and matrine (OMT + MT) as well as the total content of oxysophocarpine and sophocarpine (OSC + SC) in sophorae flavescens radix (SFR) was developed to explore the application feasibility of NIRS for the quality assurance system of Chinese patent drugs. The contents of macrozamin in HJR samples, and OMT + MT and OSC + SC in SFR samples were determined by HPLC as reference values. The NIR spectra of the samples were measured in a diffused reflection mode. The different characteristic wavebands and pretreatment methods were optimized. The quantitative calibration models between the NIR spectra and the content reference values of marker components in HJR and SFR samples, were established with partial least square method, and further optimized through the cross validation and external validation. The contents of macrozamin in 88 batches of HJR samples were over the range of 0.36-12.88 mg · g(-1). The total contents of OMT + MT and OSC + SC in 75 batches of SFR samples were over the range of 8.87-66.31 and 2.30-15.11 mg · g(-1), respectively. The performance of the final models for macrozamin, OMT + MT and OSC + SC was evaluated well according to correlation coefficients (r), root mean square error of cross-validation (RMSECV) and root mean square error of prediction (RMSEP). The R2 values of the cross-validation for macrozamin, OMT + MT and OSC + SC were 0.9025, 0.9491 and 0.9137, and those of RMSECV were 0.961, 2.45 and 0.724 mg · g(-1) respectively. The R2 values of external validation for the three models were 0.9817, 0.9826 and 0.9609, and those of RMSEP were 0.693, 2.27 and 0.658 mg · g(-1), respectively. This is the first report on rapid determination of macrozamin in Heterosmilacis japonicae rhizoma, and oxymatrine, matrine, oxysophocarpine and sophocarpine in sophorae flavescens radix by NIRS method. The presented method can

  3. GEMAS: prediction of solid-solution phase partitioning coefficients (Kd) for oxoanions and boric acid in soils using mid-infrared diffuse reflectance spectroscopy.

    Science.gov (United States)

    Janik, Leslie J; Forrester, Sean T; Soriano-Disla, José M; Kirby, Jason K; McLaughlin, Michael J; Reimann, Clemens

    2015-02-01

    The authors' aim was to develop rapid and inexpensive regression models for the prediction of partitioning coefficients (Kd), defined as the ratio of the total or surface-bound metal/metalloid concentration of the solid phase to the total concentration in the solution phase. Values of Kd were measured for boric acid (B[OH]3(0)) and selected added soluble oxoanions: molybdate (MoO4(2-)), antimonate (Sb[OH](6-)), selenate (SeO4(2-)), tellurate (TeO4(2-)) and vanadate (VO4(3-)). Models were developed using approximately 500 spectrally representative soils of the Geochemical Mapping of Agricultural Soils of Europe (GEMAS) program. These calibration soils represented the major properties of the entire 4813 soils of the GEMAS project. Multiple linear regression (MLR) from soil properties, partial least-squares regression (PLSR) using mid-infrared diffuse reflectance Fourier-transformed (DRIFT) spectra, and models using DRIFT spectra plus analytical pH values (DRIFT + pH), were compared with predicted log K(d + 1) values. Apart from selenate (R(2)  = 0.43), the DRIFT + pH calibrations resulted in marginally better models to predict log K(d + 1) values (R(2)  = 0.62-0.79), compared with those from PSLR-DRIFT (R(2)  = 0.61-0.72) and MLR (R(2)  = 0.54-0.79). The DRIFT + pH calibrations were applied to the prediction of log K(d + 1) values in the remaining 4313 soils. An example map of predicted log K(d + 1) values for added soluble MoO4(2-) in soils across Europe is presented. The DRIFT + pH PLSR models provided a rapid and inexpensive tool to assess the risk of mobility and potential availability of boric acid and selected oxoanions in European soils. For these models to be used in the prediction of log K(d + 1) values in soils globally, additional research will be needed to determine if soil variability is accounted on the calibration.

  4. Ionization current in N2 gas. Part 7. ; Diffusion and reflection of metastable particles. N2 gas chu ni okeru denri denryu. 7. ; Jun antei reiki ryushi no kakusan to hansha

    Energy Technology Data Exchange (ETDEWEB)

    Suzuki, S.; Ito, H.; Sekizawa, H. (Chiba Inst. of Technology, Chiba (Japan)); Ikuta, N. (Tokushima Univ., Tokushima (Japan))

    1993-06-20

    The energy loss process in quenching of excited particles by collision to other ones and solid surfaces was investigated with metastable excited particles formed in weakly ionized gases. The measured lifetime of N2 metastable particles in N2, N2/CO, N2/CH3 gases during Townsent discharge did not agree with the Molnar's theoretical value which was obtained by solving diffusion equations using the boundary condition that assumes the density of excited particles to be zero at electrodes and tube walls. Strange behavior was observed too, that is, coefficients of diffusion and reaction rate determined by the theoretical lifetime change systematically with the distance between electrodes. Then, the novel boundary condition that takes reflection coefficient into account was applied to solve diffusion equations. The results obtained could account for experimental results without any discrepancy. The analysis of results clarified the dependence of various parameters of metastable excited particles on the reflection coefficient. The increase of reflection coefficient decreases the surface quenching of excited particles at electrodes and elongs effectively excited lifetime and increases the number of collisional quenching in gas phases. 16 refs., 8 figs.

  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. 热熔型反光道路标线涂料的红外光谱三级鉴定%Tri-Level Infrared Spectroscopic Identification of Hot Melting Reflective Road Marking Paint

    Institute of Scientific and Technical Information of China (English)

    李浩; 马芳; 孙素琴

    2015-01-01

    In order to detect the road marking paint from the trace evidence in traffic accident scene ,and to differentiate their brands ,we use Tri-level infrared spectroscopic identification ,which employs the Fourier transform infrared spectroscopy (FT-IR) ,the second derivative infrared spectroscopy (SD-IR) ,two-dimensional correlation infrared spectroscopy (2D-IR) to identify three different domestic brands of hot melting reflective road marking paints and their raw materials in formula we Selected .The experimental results show that three labels coatings in ATR and FTIR spectrograms are very similar in shape ,only have differ-ent absorption peak wave numbers ,they have wide and strong absorption peaks near 1 435 cm-1 ,and strong absorption peak near 879 ,2 955 ,2 919 ,2 870 cm -1 .After enlarging the partial areas of spectrograms and comparing them with each kind of raw material of formula spectrograms ,we can distinguish them .In the region 700~970 and 1 370~1 660 cm -1 the spectrograms mainly reflect the different relative content of heavy calcium carbonate of three brands of the paints ,and that of polyethylene wax (PE wax) ,ethylene vinyl acetate resin (EVA) ,dioctyl phthalate (DOP) in the region 2 800~2 960 cm-1 .The SD-IR not only verify the result of the FTIR analysis ,but also further expand the microcosmic differences and reflect the different relative con-tent of quartz sand in the 512~799 cm -1 region .Within the scope of the 1 351 to 1 525 cm -1 ,2D-IR have more significant differences in positions and numbers of automatically peaks .Therefore ,the Tri-level infrared spectroscopic identification is a fast and effective method to distinguish the hot melting road marking paints with a gradually improvement in apparent resolution .%为了能从交通事故现场的微量物证中检测出道路标线涂料,并进一步区分其厂牌,选取国内三个不同厂牌的热熔型反光道路标线涂料及其配方原料,利用一维红外光谱

  7. Decay Lengths for Diffusive Transport Activated by Andreev Reflections in Al/n-GaAs/Al Superconductor-Semiconductor-Superconductor Junctions

    DEFF Research Database (Denmark)

    Kutchinsky, Jonatan; Taboryski, Rafael Jozef; Clausen, Thomas

    1997-01-01

    In a highly doped GaAs semiconductor with superconducting contacts of Al, clear conductance peaks are observed at zero voltage bias and at V = +/-2 Delta/e, +/-Delta/e. The subharmonic energy gap structure originates from Andreev scattering with diffusive, but energy conserving, transport in the Ga......As. The zero bias excess conductance is due to phase-coherent transport. Both effects are suppressed when the distance between the superconducting electrodes exceeds the inelastic diffusion length in the GaAs normal channel....

  8. Spectroscopic Detection of Caries Lesions

    OpenAIRE

    Mika Ruohonen; Katri Palo; Jarmo Alander

    2013-01-01

    Background. A caries lesion causes changes in the optical properties of the affected tissue. Currently a caries lesion can be detected only at a relatively late stage of development. Caries diagnosis also suffers from high interobserver variance. Methods. This is a pilot study to test the suitability of an optical diffuse reflectance spectroscopy for caries diagnosis. Reflectance visible/near-infrared spectroscopy (VIS/NIRS) was used to measure caries lesions and healthy enamel on extracted h...

  9. Application of the specular and diffuse reflection analysis for in vitro diagnostics of dental erosion: correlation with enamel softening, roughness, and calcium release

    OpenAIRE

    Rakhmatullina, Ekaterina; Bossen, Anke; Höschele, Christoph; Wang, Xiaojie; Beyeler, Barbara; Meier, Christoph; Lussi, Adrian

    2011-01-01

    We present assembly and application of an optical reflectometer for the analysis of dental erosion. The erosive procedure involved acid-induced softening and initial substance loss phases, which are considered to be difficult for visual diagnosis in a clinic. Change of the specular reflection signal showed the highest sensitivity for the detection of the early softening phase of erosion among tested methods. The exponential decrease of the specular reflection intensity with erosive duration w...

  10. Application of the specular and diffuse reflection analysis for in vitro diagnostics of dental erosion: correlation with enamel softening, roughness, and calcium release

    OpenAIRE

    Rakhmatullina, Ekaterina; Bossen, Anke; Höschele, Christoph; Wang, Xiaojie; Beyeler, Barbara; Meier, Christoph; Lussi, Adrian

    2011-01-01

    We present assembly and application of an optical reflectometer for the analysis of dental erosion. The erosive procedure involved acid-induced softening and initial substance loss phases, which are considered to be difficult for visual diagnosis in a clinic. Change of the specular reflection signal showed the highest sensitivity for the detection of the early softening phase of erosion among tested methods. The exponential decrease of the specular reflection intensity with erosive duration w...

  11. Diffusion weighted imaging in the liver

    NARCIS (Netherlands)

    Kele, Petra G.; van der Jagt, Eric J.

    2010-01-01

    Diffusion weighted magnetic resonance imaging (DWI) is an imaging technique which provides tissue contrast by the measurement of diffusion properties of water molecules within tissues. Diffusion is expressed in an apparent diffusion coefficient (ADC), which reflects the diffusion properties unique t

  12. Monte Carlo Simulation for Non­contact Diffuse Reflectance Spectra of Intestinal Tissue%Monte Carlo 模拟肠道组织的非接触式漫反射光谱

    Institute of Scientific and Technical Information of China (English)

    刘丽娜; 谢树森; 李步洪

    2015-01-01

    本文采用 Monte Carlo 模拟人体肠道组织的非接触式漫反射光谱,并分别研究了聚焦光束的聚焦深度、组织表面入射光斑与出射光斑(Source-Detector,S-D)之间的距离、探测面积和探测深度对光谱测量的影响,为设计非接触式光谱检测系统提供理论依据。结果表明在利用光谱技术对肠道疾病如早期肠癌进行诊断时,非接触式光谱检测系统的聚焦深度应小于0.1 cm;在漫反射光谱检测时,应根据探测信号的强弱以及探测器的灵敏度选择 S-D 距离;0.06 cm 的探测面积半径能有效地反映组织中氧合血红蛋白和脱氧合血红蛋白含量的变化情况;为反映不同深度组织光学特性,在改变探测深度时,应保持探测光锥顶角不变。%Monte Carlo simulation was applied to analyze the light distribution of the converging light beam in the ho-mogenous intestinal tissue model.The influence of the depth of focus,detection area and source-detector distance on the diffuse reflectance spectroscopy measurement were quantitatively investigated.The results show that the optimal focus depth of the non-contact spectrum system for the diagnosis of the intestinal lesions in situ is 0.1 cm.For the diffuse re-flectance spectroscopy measurement,the source-detector distance can be determined by the intensity of emission light and the response sensitivity of detector.0.06 cm is the optimal detection radius for correctly reflecting the change of the content of oxyhemoglobin and deoxygenated hemoglobin using diffuse reflectance spectroscopy.In order to reduce the influence on the spectrum caused by the change of detection depth,the apex angle of detection light cone should be constant.

  13. New Principle and Method for Simple Test of the Light Reflectivity of Diffusive Material%扩散材料光反射比简易测试新原理与方法

    Institute of Scientific and Technical Information of China (English)

    冉茂宇; 赵红利

    2013-01-01

    Based on the illumination characteristic formed by a diffusive material disc along on its axis, a new principle and method was proposed to test the light reflectivity of diffusive material, which is simple and accurate, and is also verified by practical test in a dark room. The results show that the test values of surface brightness or light reflectivity of the same disc material have good consistency for two different cases, the maximum relative error is not more than 2.1% for the 7 sample discs. This study is conducive to develop new device to test light reflectivity, and to guide relevant investigation.%基于圆盘扩散材料在其盘轴上形成的照度特性,提出一种简单可行的,较为准确的测试材料光反射比的原理和方法,并就7种盘面的亮度和光反射比进行测试和原理、方法的验证.结果表明:将照度计探头置于光场外能有效地避免探头对入射照度的影响,克服了传统方法的缺陷;对于不同盘面,在两种不同的条件下进行测试,表面亮度或光反射比具有相当好的一致性,最大相对误差未超过2.1%,说明所提出的测量原理和方法具有相当好的可行性和准确性.

  14. Spectroscopic analysis and control

    Science.gov (United States)

    Tate; , James D.; Reed, Christopher J.; Domke, Christopher H.; Le, Linh; Seasholtz, Mary Beth; Weber, Andy; Lipp, Charles

    2017-04-18

    Apparatus for spectroscopic analysis which includes a tunable diode laser spectrometer having a digital output signal and a digital computer for receiving the digital output signal from the spectrometer, the digital computer programmed to process the digital output signal using a multivariate regression algorithm. In addition, a spectroscopic method of analysis using such apparatus. Finally, a method for controlling an ethylene cracker hydrogenator.

  15. Reflecting reflection in supervision

    DEFF Research Database (Denmark)

    Lystbæk, Christian Tang

    Reflection has moved from the margins to the mainstream in supervision. Notions of reflection have become well established since the late 1980s. These notions have provided useful framing devices to help conceptualize some important processes in guidance and counseling. However, some applications...

  16. A Memory-Based Learning Approach as Compared to Other Data Mining Algorithms for the Prediction of Soil Texture Using Diffuse Reflectance Spectra

    Directory of Open Access Journals (Sweden)

    Asa Gholizadeh

    2016-04-01

    Full Text Available Successful determination of soil texture using reflectance spectroscopy across Visible and Near-Infrared (VNIR, 400–1200 nm and Short-Wave-Infrared (SWIR, 1200–2500 nm ranges depends largely on the selection of a suitable data mining algorithm. The objective of this research was to explore whether the new Memory-Based Learning (MBL method performs better than the other methods, namely: Partial Least Squares Regression (PLSR, Support Vector Machine Regression (SVMR and Boosted Regression Trees (BRT. For this purpose, we chose soil texture (contents of clay, silt and sand as testing attributes. A selected set of soil samples, classified as Technosols, were collected from brown coal mining dumpsites in the Czech Republic (a total of 264 samples. Spectral readings were taken in the laboratory with a fiber optic ASD FieldSpec III Pro FR spectroradiometer. Leave-one-out cross-validation was used to optimize and validate the models. Comparisons were made in terms of the coefficient of determination (R2cv and the Root Mean Square Error of Prediction of Cross-Validation (RMSEPcv. Predictions of the three soil properties by MBL outperformed the accuracy of the remaining algorithms. We found that the MBL performs better than the other three methods by about 10% (largest R2cv and smallest RMSEPcv, followed by the SVMR. It should be pointed out that the other methods (PLSR and BRT still provided reliable results. The study concluded that in this examined dataset, reflectance spectroscopy combined with the MBL algorithm is rapid and accurate, offers major efficiency and cost-saving possibilities in other datasets and can lead to better targeting of management interventions.

  17. 基于近红外漫反射光谱的煤灰分快速检测方法%Study on a rapid coal ash determination method based on near-infrared diffuse reflectance spectroscopy

    Institute of Scientific and Technical Information of China (English)

    翟阳阳; 陈竞博; 武宝明; 肖锋; 王雅圣; 魏高; 孟国营; 翟红; 李光

    2013-01-01

    基于偏最小二乘回归算法,研究了基于近红外漫反射光谱的煤质灰分快速检测方法,建立了煤质灰分与近红外漫反射光谱之间的数学回归模型,同时探讨了平滑滤波、多元散射校正、求导等不同的光谱预处理方法对模型预测效果的影响,针对精煤的灰分,采用实际煤炭样本开展了实验研究,取得了较好的效果,该方法达到了一定的分析精度并且模型较为稳定,有着很好的应用前景.%This paper studied a rapid coal ash determination method based on the near - infrared diffuse reflectance spectral analysis by build mathematical regression model between the near - infrared diffuse reflectance spectra of coal samples and the ash. The determination is based on the partial least squares regre ssion(PLS) algorithm , while different spectral pre - processing methods including smoothing, Multiplicative Scatter Correction ( MSC) and derivation were applied to improve the prediction ability of the mathematical model. The ash level of real coal samples was experimental estimated,which indicated that the determination results were very well. The method can get high precision and stability which leads to a good potential application in industries.

  18. Spectroscopic Dosimeter Project

    Data.gov (United States)

    National Aeronautics and Space Administration — Analysis of Phase I test data demonstrates that the Photogenics Spectroscopic Dosimeter will detect neutron energies from 0.8 up to 600 MeV. The detector...

  19. Prospective comparison of T2w-MRI and dynamic-contrast-enhanced MRI, 3D-MR spectroscopic imaging or diffusion-weighted MRI in repeat TRUS-guided biopsies

    Energy Technology Data Exchange (ETDEWEB)

    Portalez, Daniel [Clinique Pasteur, 45, Department of Radiology, Toulouse (France); Rollin, Gautier; Mouly, Patrick; Jonca, Frederic; Malavaud, Bernard [Hopital de Rangueil, Department of Urology, Toulouse Cedex 9 (France); Leandri, Pierre [Clinique Saint Jean, 20, Department of Urology, Toulouse (France); Elman, Benjamin [Clinique Pasteur, 45, Department of Urology, Toulouse (France)

    2010-12-15

    To compare T2-weighted MRI and functional MRI techniques in guiding repeat prostate biopsies. Sixty-eight patients with a history of negative biopsies, negative digital rectal examination and elevated PSA were imaged before repeat biopsies. Dichotomous criteria were used with visual validation of T2-weighted MRI, dynamic contrast-enhanced MRI and literature-derived cut-offs for 3D-spectroscopy MRI (choline-creatine-to-citrate ratio >0.86) and diffusion-weighted imaging (ADC x 10{sup 3} mm{sup 2}/s < 1.24). For each segment and MRI technique, results were rendered as being suspicious/non-suspicious for malignancy. Sextant biopsies, transition zone biopsies and at least two additional biopsies of suspicious areas were taken. In the peripheral zones, 105/408 segments and in the transition zones 19/136 segments were suspicious according to at least one MRI technique. A total of 28/68 (41.2%) patients were found to have cancer. Diffusion-weighted imaging exhibited the highest positive predictive value (0.52) compared with T2-weighted MRI (0.29), dynamic contrast-enhanced MRI (0.33) and 3D-spectroscopy MRI (0.25). Logistic regression showed the probability of cancer in a segment increasing 12-fold when T2-weighted and diffusion-weighted imaging MRI were both suspicious (63.4%) compared with both being non-suspicious (5.2%). The proposed system of analysis and reporting could prove clinically relevant in the decision whether to repeat targeted biopsies. (orig.)

  20. Infrared spectroscopy and spectroscopic imaging in forensic science.

    Science.gov (United States)

    Ewing, Andrew V; Kazarian, Sergei G

    2017-01-16

    Infrared spectroscopy and spectroscopic imaging, are robust, label free and inherently non-destructive methods with a high chemical specificity and sensitivity that are frequently employed in forensic science research and practices. This review aims to discuss the applications and recent developments of these methodologies in this field. Furthermore, the use of recently emerged Fourier transform infrared (FT-IR) spectroscopic imaging in transmission, external reflection and Attenuated Total Reflection (ATR) modes are summarised with relevance and potential for forensic science applications. This spectroscopic imaging approach provides the opportunity to obtain the chemical composition of fingermarks and information about possible contaminants deposited at a crime scene. Research that demonstrates the great potential of these techniques for analysis of fingerprint residues, explosive materials and counterfeit drugs will be reviewed. The implications of this research for the examination of different materials are considered, along with an outlook of possible future research avenues for the application of vibrational spectroscopic methods to the analysis of forensic samples.

  1. Reflective Teaching

    Science.gov (United States)

    Farrell, Thomas S. C.

    2013-01-01

    Thomas Farrell's "Reflective Teaching" outlines four principles that take teachers from just doing reflection to making it a way of being. Using the four principles, Reflective Practice Is Evidence Based, Reflective Practice Involves Dialogue, Reflective Practice Links Beliefs and Practices, and Reflective Practice Is a Way of Life,…

  2. Effects of probe geometry on transscleral diffuse optical spectroscopy.

    Science.gov (United States)

    Svenmarker, Pontus; Xu, Can T; Andersson-Engels, Stefan; Krohn, Jørgen

    2011-11-01

    The purpose of this study was to investigate how the geometry of a fiber optic probe affects the transmission and reflection of light through the scleral eye wall. Two geometrical parameters of the fiber probe were investigated: the source-detector distance and the fiber protrusion, i.e. the length of the fiber extending from the flat surface of the fiber probe. For optimization of the fiber optic probe geometry, fluorescence stained choroidal tumor phantoms in ex vivo porcine eyes were measured with both diffuse reflectance- and laser-induced fluorescence spectroscopy. The strength of the fluorescence signal compared to the excitation signal was used as a measure for optimization. Intraocular pressure (IOP) and temperature were monitored to assess the impact of the probe on the eye. For visualizing any possible damage caused by the probe, the scleral surface was imaged with scanning electron microscopy after completion of the spectroscopic measurements. A source-detector distance of 5 mm with zero fiber protrusion was considered optimal in terms of spectroscopic contrast, however, a slight fiber protrusion of 0.5 mm is argued to be advantageous for clinical measurements. The study further indicates that transscleral spectroscopy can be safely performed in human eyes under in vivo conditions, without leading to an unacceptable IOP elevation, a significant rise in tissue temperature, or any visible damage to the scleral surface.

  3. Spectroscopic characterizations of organic/inorganic nanocomposites

    Science.gov (United States)

    Govani, Jayesh R.

    2009-12-01

    In the present study, pure and 0.3 wt%, 0.4 wt%, as well as 0.5 wt% L-arginine doped potassium dihydrogen phosphate (KDP) crystals were grown using solution growth techniques and further subjected to infrared (IR) absorption and Raman studies for confirmation of chemical group functionalization for investigating the incorporation mechanism of the L-arginine organic material into the KDP crystal structure. Infrared spectroscopic analysis suggests that structural changes are occurring for the L-arginine molecule as a result of its interaction with the KPD crystal. Infrared spectroscopic technique confirms the disturbance of the N-H, C-H and C-N bonds of the amino acid, suggesting successful incorporation of L-arginine into the KDP crystals. Raman analysis also reveals modification of the N-H, C-H and C-N bonds of the amino acid, implying successful inclusion of L-arginine into the KDP crystals. With the help of Gaussian software, a prediction of possible incorporation mechanisms of the organic material was obtained from comparison of the simulated infrared and Raman vibrational spectra with the experimental results. Furthermore, we also studied the effect of L-arginine doping on the thermal stability of the grown KDP crystal by employing Thermo gravimetric analysis (TGA). TGA suggests that increasing the level of L-arginine doping speeds the decomposition process and it weakens the KDP crystal, which indicates successful doping of the KDP crystals with L-arginine amino acid. Urinary stones are one of the oldest and most widely spread diseases in humans, animals and birds. Many remedies have been employed through the ages for the treatment of urinary stones. Recent medicinal measures reflect the modern advances, which are based on surgical removal, percutaneous techniques and extracorporeal shock wave lithotripsy (ESWL). Although these procedures are valuable, they are quite expensive for most people. Furthermore, recurrence of these diseases is awfully frequent with

  4. Diffraction and diffusion in room acoustics

    DEFF Research Database (Denmark)

    Rindel, Jens Holger; Rasmussen, Birgit

    1996-01-01

    Diffraction and diffusion are two phenomena that are both related to the wave nature of sound. Diffraction due to the finite size of reflecting surfaces and the design of single reflectors and reflector arrays are discussed. Diffusion is the result of scattering of sound reflected from surfaces...... that are not plane but curved or irregular. The importance of diffusion has been demonstrated in concert halls. Methods for the design of diffusing surfaces and the development of new types of diffusers are reviewed. Finally, the importance of diffraction and diffusion in room acoustic computer models is discussed....

  5. Effect of sorption conditions on the state of copper(II) ions in the phase of AN-31 ion exchange resin, according to data from ESR and UV-vis diffuse reflectance spectroscopy

    Science.gov (United States)

    Stroganova, E. A.; Anufrienko, V. F.; Larina, T. V.; Vasenin, N. T.; Lebedev, Yu. A.; Parmon, V. N.

    2017-08-01

    It is found that the sorption recovery of copper ions from water solutions in the phase of AN-31 low basicity anion exchanger has a mixed character. It is established via diffuse reflectance spectroscopy that ions are stabilized through complexation with the participation of the functional groups of the sorbent with the formation of structures [Cu(NR3)2(OH)2(H2O)2], [Cu(NR3)3(OH)(H2O)2], and as a result of the physical adsorption of oxide dimers and planar-squared copper clusters. It is shown that increasing the ionic strength of a solution by introducing sodium chloride into the system greatly improves the capacity of the sorbent and leads to the uniform distribution of copper ions in the resin matrix. The similarity between the ESR spectrum parameters of copper-containing samples of the ion exchanger, obtained in a wider range of pH, is determined via ESR and testifies to the homogeneity of the stabilization positions of Cu2+ ions. The crystalline field of tetragonal-elongated octahedron is typical of all Cu2+ ions. All of the complexes have Cu(NO3)2 coordination nodes with the covalent bonding of Cu2+ ions and the amine groups of the sorbent.

  6. Rapid and Noninvasive Detection of Skin Cholesterol with Diffuse Reflectance Spectroscopy Technology%漫反射光谱技术快速无创检测皮肤胆固醇

    Institute of Scientific and Technical Information of China (English)

    候华毅; 董美丽; 王贻坤; 朱灵; 马祖长; 刘勇

    2016-01-01

    针对皮肤胆固醇无创检测的迫切需求,设计了一种基于微型光谱仪的便携式和智能化的皮肤漫反射光谱实时测量系统。配制毛地黄皂苷—辣根过氧化物酶共聚物溶液,利用毛地黄皂苷可与皮肤胆固醇分子中的羟基特异性结合和辣根过氧化物酶能与TMB试剂(主要成分为3,3’,5,5’-四甲基联苯胺)反应显色的特性,实现皮肤胆固醇的高灵敏和高特异的识别与指示,并通过测量反应后颜色的变化程度来定量皮肤胆固醇的浓度。以与人体皮肤结构相近的猪皮肤为实验对象,采用萃取法获得梯度浓度的胆固醇样本,利用上述光谱测量系统检测样本内的胆固醇浓度来验证该方法的可行性。实验结果显示,相对漫反射率能够区分不同浓度的胆固醇样本,在特征单波长(442,450和463 nm)处和特征波段442~500 nm内,漫反射率强度因子均可以定量反映样本内的胆固醇浓度,经线性拟合,判定系数R2分别为0.960,0.959,0.958和0.958。研究结果表明,使用漫反射光谱技术可以实现皮肤胆固醇的快速无创检测,将其应用于动脉粥样硬化性疾病风险评估,对于该类疾病的防控具有重要意义。%Due to the urgent need for noninvasive detection of skin cholesterol,a portable,intelligent and real-time skin diffuse reflectance spectroscopy measurement system was designed based on a micro-spectrometer.Digitonin-horseradish peroxidase copolymer solution was prepared.According to the properties digitonin binds to the hydroxy of cholesterol molecular specifically and the horseradish peroxidase reacts with TMB color solution (the main component is 3,3’,5,5’-tetramethylbenzidine )a color change was produced,by which the skin cholesterol was identified and instructed with high sensitivity and high specificity,and the concentration of skin cholesterol was quantified by measuring the degree of color change.In order to validate the feasibility of this

  7. Temperature-dependent interactions and disorder in the spin-transition compound [Fe(II)(L)2][ClO4]2.C7H8 through structural, calorimetric, magnetic, photomagnetic, and diffuse reflectance investigations.

    Science.gov (United States)

    Mishra, Vibha; Mukherjee, Rabindranath; Linares, Jorge; Balde, Chérif; Desplanches, Cédric; Létard, Jean-François; Collet, Eric; Toupet, Loic; Castro, Miguel; Varret, François

    2008-09-01

    The title compound [Fe (II)(L) 2][ClO 4] 2.C 7H 8 (L = 2-[3-(2'-pyridyl)pyrazol-1-ylmethyl]pyridine) has been isolated while attempting to grow single crystals of the spin-transition (continuous-type) compound [Fe (II)(L) 2][ClO 4] 2, published earlier ( Dalton Trans. 2003, 3392-3397). Magnetic susceptibility measurements, as well as Mossbauer and calorimetric investigations on polycrystalline samples of [Fe(L) 2][ClO 4] 2.C 7H 8 revealed the occurrence of an abrupt HS ( (5) T 2) LS ( (1) A 1) transition with steep and narrow (2 K) hysteresis at approximately 232 K. The photomagnetic properties exhibit features typical for a broad distribution of activation energies, with relaxation curves in the shape of stretched exponentials. We performed a crystal structure determination of the compound at 120, 240, and 270 K. A noteworthy temperature-dependent behavior of the structural parameters was observed, in terms of disorder of both the anions and solvent molecules, leading to a strong thermal dependence of the strength and dimensionality of the interaction network. Additional data were obtained by diffuse reflectance measurements. We model and discuss the antagonistic effects of interactions and disorder by using a two-level cooperative mean-field approach which includes a distribution of barrier energies at the microscopic scale.

  8. Calculation of heat balance considering the reflection, refraction of incident ray and salt diffusion on solar pad; Hikari no hansha kussetsu oyobi shio no kakusan wo koryoshita solar pond no netsukeisan

    Energy Technology Data Exchange (ETDEWEB)

    Kanayama, K.; Li, X.; Baba, H.; Endo, N. [Kitami Institute of Technology, (Japan)

    1997-11-25

    In calculating heat balance of solar pond, calculation was made considering things except quality of the incident ray and physical properties of pond water which were conventionally considered. The real optical path length was determined from the reflection ratio of ray on the water surface based on the refraction ratio of pond water and the locus of water transmitted ray in order to calculate a total transmission rate. The rate of absorption of monochromatic lights composing of solar light in their going through the media is different by wavelength, and therefore, calculation was made in each monochromatic light. As to four kinds of salt water solution, NaCl, KCl, MgCl2 and CaCl2, these phenomena seen in solar pond are taken in, and a total transmission rate based on reality can be calculated by the wavelength integration method. Moreover, in the salt gradient layer, there are gradients in both concentration and temperature, and thermal physical values of each layer change. Accordingly, mass transfer and thermal transfer by both gradients were considered at the same time. An analytic solution was introduced which analyzes salt diffusion in the temperature field in the gradient layer and determines the concentration distribution. By these, concentration and physical values of each layer were calculated according to phenomena, and thermal balance of each layer of the solar pond was able to be accurately calculated. 6 refs., 5 figs., 2 tabs.

  9. FTIR and UV-vis diffuse reflectance spectroscopy studies of the wet chemical (WC) route synthesized nano-structure CoFe(2)O(4) from CoCl(2) and FeCl(3).

    Science.gov (United States)

    Habibi, Mohammad Hossein; Parhizkar, Hadi Janan

    2014-06-05

    Nano-structure CoFe(2)O(4) has been fabricated by wet chemical route using CoCl2 and FeCl3 as simple precursors. The prepared nano-structure samples was calcined at 600°C and characterized by fourier transform infrared spectra (FTIR), UV-vis diffuse reflectance spectroscopy (DRS), X-ray powder diffractometry (XRD), and field emission scanning electron microscopy (FESEM). X-ray diffraction patterns confirmed the presence of the spinel phases with average crystallite sizes of 47nm. Field emission scanning electron microscopy investigations showed spherical morphology of nanoparticles with average particle size of 46nm. The FTIR spectra of CoFe(2)O(4) nanoparticles showed absorption bands at about 594cm(-1) and 401cm(-1) due to the stretching vibrations of Co-O and Fe-O respectively. Investigation of the optical properties of the produced nano-structure CoFe(2)O(4) confirmed its semiconducting properties by revealing two optical band gaps at 1.4 and 2.0eV.

  10. Diffusion weighted imaging in the liver

    Institute of Scientific and Technical Information of China (English)

    Petra; G; Kele; Eric; J; van; der; Jagt

    2010-01-01

    Diffusion weighted magnetic resonance imaging (DWI) is an imaging technique which provides tissue contrast by the measurement of diffusion properties of water molecules within tissues. Diffusion is expressed in an apparent diffusion coefficient (ADC), which reflects the diffusion properties unique to each type of tissue. DWI has been originally used in neuroradiology. More recently, DWI has increasingly been used in addition to conventional unenhanced and enhanced magnetic resonance imaging (MRI) in other p...

  11. Spectroscopic properties of five-coordinated Co2+ in phosphates.

    Science.gov (United States)

    Hunault, M; Robert, J-L; Newville, M; Galoisy, L; Calas, G

    2014-01-03

    Co3(PO4)2, SrCo2(PO4)2, Co2P2O7, BaCoP2O7 and SrCoP2O7 present different geometries of five-coordinated Co(2+) (([5])Co(2+)) sites, coexisting with ([6])Co(2+) in Co3(PO4)2 and Co2P2O7, and ([4])Co(2+) in SrCo2(PO4)2. ([5])Co K-edge XANES spectra show that the intensity of the pre-edge and main-edge is intermediate between those of ([6])- and ([4])Co. Diffuse reflectance spectra show the contributions of Co(2+) in (D3h) symmetry for SrCo2(PO4)2, and (C4v) symmetry for BaCoP2O7 and SrCoP2O7. In Co3(PO4)2 and Co2P2O7 the multiple transitions observed arise from energy level splitting and may be labeled in (C2v) symmetry. Spectroscopic data confirm that (D3h) and (C4v) symmetries may be distinguished upon the intensity of the optical absorption bands and crystal field splitting values. We discuss the influence of the geometrical distortion and of the nature of the next nearest neighbors.

  12. Diffusion MRI

    Science.gov (United States)

    Fukuyama, Hidenao

    Recent advances of magnetic resonance imaging have been described, especially stressed on the diffusion sequences. We have recently applied the diffusion sequence to functional brain imaging, and found the appropriate results. In addition to the neurosciences fields, diffusion weighted images have improved the accuracies of clinical diagnosis depending upon magnetic resonance images in stroke as well as inflammations.

  13. Seismic Fault Preserving Diffusion

    CERN Document Server

    Lavialle, Olivier; Germain, Christian; Donias, Marc; Guillon, Sebastien; Keskes, Naamen; Berthoumieu, Yannick

    2007-01-01

    This paper focuses on the denoising and enhancing of 3-D reflection seismic data. We propose a pre-processing step based on a non linear diffusion filtering leading to a better detection of seismic faults. The non linear diffusion approaches are based on the definition of a partial differential equation that allows us to simplify the images without blurring relevant details or discontinuities. Computing the structure tensor which provides information on the local orientation of the geological layers, we propose to drive the diffusion along these layers using a new approach called SFPD (Seismic Fault Preserving Diffusion). In SFPD, the eigenvalues of the tensor are fixed according to a confidence measure that takes into account the regularity of the local seismic structure. Results on both synthesized and real 3-D blocks show the efficiency of the proposed approach.

  14. Seismic fault preserving diffusion

    Science.gov (United States)

    Lavialle, Olivier; Pop, Sorin; Germain, Christian; Donias, Marc; Guillon, Sebastien; Keskes, Naamen; Berthoumieu, Yannick

    2007-02-01

    This paper focuses on the denoising and enhancing of 3-D reflection seismic data. We propose a pre-processing step based on a non-linear diffusion filtering leading to a better detection of seismic faults. The non-linear diffusion approaches are based on the definition of a partial differential equation that allows us to simplify the images without blurring relevant details or discontinuities. Computing the structure tensor which provides information on the local orientation of the geological layers, we propose to drive the diffusion along these layers using a new approach called SFPD (Seismic Fault Preserving Diffusion). In SFPD, the eigenvalues of the tensor are fixed according to a confidence measure that takes into account the regularity of the local seismic structure. Results on both synthesized and real 3-D blocks show the efficiency of the proposed approach.

  15. Shell model and spectroscopic factors

    Energy Technology Data Exchange (ETDEWEB)

    Poves, P. [Madrid Univ. Autonoma and IFT, UAM/CSIC, E-28049 (Spain)

    2007-07-01

    In these lectures, I introduce the notion of spectroscopic factor in the shell model context. A brief review is given of the present status of the large scale applications of the Interacting Shell Model. The spectroscopic factors and the spectroscopic strength are discussed for nuclei in the vicinity of magic closures and for deformed nuclei. (author)

  16. Advances in Composition Analysis of Sediments Using Near-infrared Diffuse Reflection Spectroscopy%近红外漫反射光谱在沉积物化学成分分析中的研究进展

    Institute of Scientific and Technical Information of China (English)

    尚文郁; 孙青; 凌媛; 谢曼曼; 岑况

    2012-01-01

    The contents of organic matter, related elements and heavy metals in sediments are the basis for the study of paleoenvironment and ecological environment evaluation. The near-infrared ( NIR) diffuse reflection spectroscopy technique is a simple, rapid, and low cost method to determine the components in sediments. In this article we overview the standard procedure for sampling, the method of sample preparation and mathematical modelling for the chemical composition analysis in sediments. Furthermore, we introduce the selection of modelling, spectrum pretreatment and regression analysis to improve the accuracy of the quantitative analysis for a near-infrared spectrum model. The NIR diffuse reflection technique has been advocated to measure the contents of total organic carbon, total nitrogen, total phosphorus, biogenic silica, heavy metals etc. However, there is still plenty of work to be done since the application in sediments is not well established. At present, further study need to be carried out for the mechanism of measuring error in sediments. Properly chosen sample collection after suitable spectrum-pretreatment with optimization of mathematical models should improve the precision and accuracy of measurements.%沉积物中有机质及相关元素含量、重金属含量等是研究环境污染和古环境的依据.利用近红外漫反射光谱测定沉积物中的化学成分,方法简便、快捷、价廉.本文概述了近红外漫反射光谱测定沉积物中化学成分的基本流程、样品制备及建模方法,介绍了如何通过选择建模样品、利用光谱预处理及回归分析等方法提高近红外光谱模型的定量能力,综述了近红外漫反射光谱分析沉积物中的有机碳、总氮、总磷、生物硅、重金属含量等方法.但是利用近红外光谱分析沉积物中的化学成分研究起步较晚,仍存在很多问题,有必要深入探讨近红外光谱分析沉积物的化学成分时产生误差的机理,进

  17. Spectroscopic characterization of the quantum wires in titanosilicates ETS-4 and ETS-10

    Energy Technology Data Exchange (ETDEWEB)

    Yilmaz, Bilge; Warzywoda, Juliusz; Sacco, Albert Jr [Center for Advanced Microgravity Materials Processing, Department of Chemical Engineering, Northeastern University, 147 Snell Engineering Center, Boston, MA 02115 (United States)

    2006-08-28

    Titanosilicates ETS-4 and ETS-10 contain octahedrally coordinated monatomic semiconductor ...Ti-O-Ti-O-Ti... (titania) chains in their frameworks. Titania chains are isolated from one another by a siliceous matrix. Thus, these chains can be regarded as one-dimensional nanostructures, i.e., 'quantum wires'. Diffuse reflectance UV-vis (DR-UV-vis) spectroscopy analysis demonstrated a significant blue-shift of the optical absorption edge (>60 nm) for both ETS-4 and ETS-10 compared to bulk titania. This blue-shift is consistent with the hypothesis that the titania chains in ETS-4 and ETS-10 are acting as quantum wires. A broad range of ETS-4 and ETS-10 samples with diverse crystallo-chemical characteristics was prepared. The DR-UV-vis and Raman spectra of various ETS-4 and ETS-10 samples exhibited different characteristics, which were hypothesized to be related to the titania chain 'quality'. Detailed investigation of the spectroscopic bands associated with the titania chains in ETS-4 was performed for the first time. The 'quality' of these titania chains/quantum wires in ETS-4 and ETS-10 was correlated with the crystal growth mechanisms of these materials. Comparison of the growth mechanisms and the spectroscopic behaviour for ETS-4 and ETS-10 suggests that the control of 'quantum wire quality' via hydrothermal synthesis is possible in ETS-4 but would be difficult in ETS-10.

  18. Chemical characterization of latent fingerprints by matrix-assisted laser desorption ionization, time-of-flight secondary ion mass spectrometry, mega electron volt secondary mass spectrometry, gas chromatography/mass spectrometry, X-ray photoelectron spectroscopy, and attenuated total reflection Fourier transform infrared spectroscopic imaging: an intercomparison.

    Science.gov (United States)

    Bailey, Melanie J; Bright, Nicholas J; Croxton, Ruth S; Francese, Simona; Ferguson, Leesa S; Hinder, Stephen; Jickells, Sue; Jones, Benjamin J; Jones, Brian N; Kazarian, Sergei G; Ojeda, Jesus J; Webb, Roger P; Wolstenholme, Rosalind; Bleay, Stephen

    2012-10-16

    The first analytical intercomparison of fingerprint residue using equivalent samples of latent fingerprint residue and characterized by a suite of relevant techniques is presented. This work has never been undertaken, presumably due to the perishable nature of fingerprint residue, the lack of fingerprint standards, and the intradonor variability, which impacts sample reproducibility. For the first time, time-of-flight secondary ion mass spectrometry, high-energy secondary ion mass spectrometry, and X-ray photoelectron spectroscopy are used to target endogenous compounds in fingerprints and a method is presented for establishing their relative abundance in fingerprint residue. Comparison of the newer techniques with the more established gas chromatography/mass spectrometry and attenuated total reflection Fourier transform infrared spectroscopic imaging shows good agreement between the methods, with each method detecting repeatable differences between the donors, with the exception of matrix-assisted laser desorption ionization, for which quantitative analysis has not yet been established. We further comment on the sensitivity, selectivity, and practicability of each of the methods for use in future police casework or academic research.

  19. Reflective Writing

    DEFF Research Database (Denmark)

    Ahrenkiel Jørgensen, Andriette

    2016-01-01

    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...... a contribution to the discussions about the role of reflection in design work and in learning situations at large. By engaging with the dialogic reflection, which is one of the four essential types of reflection, (the three others being descriptive writing, descriptive reflection and critical reflection...

  20. Helium diffusion in carbonates

    Science.gov (United States)

    Amidon, W. H.; Cherniak, D. J.; Watson, E. B.; Hobbs, D.

    2013-12-01

    The abundance and large grain size of carbonate minerals make them a potentially attractive target for 4He thermochronology and 3He cosmogenic dating, although the diffusive properties of helium in carbonates remain poorly understood. This work characterizes helium diffusion in calcite and dolomite to better understand the crystal-chemical factors controlling He transport and retentivity. Slabs of cleaved natural calcite and dolomite, and polished sections of calcite cut parallel or normal to c, were implanted with 3He at 3 MeV with a dose of 5x1015/cm2. Implanted carbonates were heated in 1-atm furnaces, and 3He distributions following diffusion anneals were profiled with Nuclear Reaction Analysis using the reaction 3He(d,p)4He. For 3He transport normal to cleavage surfaces in calcite, we obtain the following Arrhenius relation over the temperature range 78-300°C: Dcalcite = 9.0x10-9exp(-55 × 6 kJ mol-1/RT) m2sec-1. Diffusion in calcite exhibits marked anisotropy, with diffusion parallel to c about two orders of magnitude slower than diffusion normal to cleavage faces. He diffusivities for transport normal to the c-axis are similar in value to those normal to cleavage surfaces. Our findings are broadly consistent with helium diffusivities from step-heating measurements of calcite by Copeland et al. (2007); these bulk degassing data may reflect varying effects of diffusional anisotropy. Helium diffusion normal to cleavage surfaces in dolomite is significantly slower than diffusion in calcite, and has a much higher activation energy for diffusion. For dolomite, we obtain the following Arrhenius relation for He diffusion over the temperature range 150-400°C: Ddolomite = 9.0x10-8exp(-92 × 9 kJ mol-1/RT) m2sec-1. The role of crystallographic structure in influencing these differences among diffusivities was evaluated using the maximum aperture approach of Cherniak and Watson (2011), in which crystallographic structures are sectioned along possible diffusion

  1. Brand Discrimination of Liquid Pure Milk Using Visible/Near Infrared Diffuse Reflectance Spectroscopy Based on PLS Model%液态纯牛奶可见/近红外漫反射光谱PLS鉴别

    Institute of Scientific and Technical Information of China (English)

    吕建波

    2011-01-01

    利用可见/近红外光谱技术研究了一种液态纯牛奶品牌鉴别模型.首先利用近红外分析仪InfraXactTM获得3种品牌共90个样本的漫反射光谱,分别对其赋值,采用偏最小二乘法(PLS)建立鉴别模型;其次比较典型光谱散射预处理和数学预处理对建模的影响,探索到建模优化预处理方法为SNV+ Detrending、5点间隙的一阶导数处理、5点平滑波长;实验结果表明,模型的RMSEC,R2c,RMSEP,Bias和R2p分别为0.515,0.937,0.561,0.296和0.912,对57个校正样本和30个独立预测样本进行鉴别,其准确率分别达到了100%和96.7%.%A model for brand discrimination of liquid pure milk by Vis/NIR was developed. Firstly, the diffuse reflectance spectrum of 90 samples were measured by the InfraXactTM spectrometer, and PLS was used to build the discriminating model. Secondly, the calibration results were compared by different pretreatment methods, and the preferable method(SNV+ Detrending, 1st Derivative, 5, S) was found out. The experimental results show that the RMSEC, Rc2, Rp2, RMSEP, Bias and of the model are 0. 515, 0. 937, 0. 561, 0. 296 and 0. 912, and the discriminating rate of the 57 training samples and 30 predictive samples are 100% and 96. 7%, respectively.

  2. Detection of Protein, Fat in Milk by Using Near Infrared Diffuse Reflectance Technique%采用近红外漫反射技术对牛奶中蛋白质、脂肪检测

    Institute of Scientific and Technical Information of China (English)

    王明; 于峰; 刘新; 付蓉

    2015-01-01

    In order to detect the content of protein and fat quickly and accurately in the milk,the paper analysis the diffuse reflectance technique by using the near infrared spectroscopy equipment made by Ourselves. In the process of experiment,the high frequency noise spectrum signal is removed by using smoothing of more points, fast Fourier transform and wavelet transform method,extracting the eigenvalue according to the characteristics of spectrum and target molecules;Finding out and removing abnormal samples by plotting the milk ingredients residual distribution;30 samples which are out of models are predicted, the average relative error of protein and fat is respectively 3. 07%,2. 37%. the experiment shows that,the content of protein and fat in milk can be detected accurately by using the near infrared spec-trum analysis technique.%为快速、准确地测量牛奶中蛋白质和脂肪含量,本文采用自制近红外光谱设备,对漫反射技术进行了分析。实验过程中,利用多点平滑、快速傅里叶滤波、小波变换去除光谱信号中的高频噪音;根据光谱特征及测量目标分子特性来提取建模特征值,通过绘制牛奶成分残差分布图剔除奇异样本;对模型外的30个样品进行了预测,得出蛋白质和脂肪的平均相对误差分别为3.07%、2.37%。实验表明,近红外光谱分析技术可以准确检测牛奶中蛋白质和脂肪含量。

  3. Einstein's random walk and thermal diffusion

    OpenAIRE

    2013-01-01

    Thermal diffusion has been studied for over 150 years. Despite of the long history and the increasing importance of the phenomenon, the physics of thermal diffusion remains poorly understood. In this paper Ludwig's thermal diffusion is explained using Einstein's random walk. The only new structure added is the spatial heterogeneity of the random walk to reflect the temperature gradient of thermal diffusion. Hence, the walk length and the walk speed are location dependent functions in this pap...

  4. Portable optical fiber probe-based spectroscopic scanner for rapid cancer diagnosis: a new tool for intraoperative margin assessment.

    Science.gov (United States)

    Lue, Niyom; Kang, Jeon Woong; Yu, Chung-Chieh; Barman, Ishan; Dingari, Narahara Chari; Feld, Michael S; Dasari, Ramachandra R; Fitzmaurice, Maryann

    2012-01-01

    There continues to be a significant clinical need for rapid and reliable intraoperative margin assessment during cancer surgery. Here we describe a portable, quantitative, optical fiber probe-based, spectroscopic tissue scanner designed for intraoperative diagnostic imaging of surgical margins, which we tested in a proof of concept study in human tissue for breast cancer diagnosis. The tissue scanner combines both diffuse reflectance spectroscopy (DRS) and intrinsic fluorescence spectroscopy (IFS), and has hyperspectral imaging capability, acquiring full DRS and IFS spectra for each scanned image pixel. Modeling of the DRS and IFS spectra yields quantitative parameters that reflect the metabolic, biochemical and morphological state of tissue, which are translated into disease diagnosis. The tissue scanner has high spatial resolution (0.25 mm) over a wide field of view (10 cm × 10 cm), and both high spectral resolution (2 nm) and high spectral contrast, readily distinguishing tissues with widely varying optical properties (bone, skeletal muscle, fat and connective tissue). Tissue-simulating phantom experiments confirm that the tissue scanner can quantitatively measure spectral parameters, such as hemoglobin concentration, in a physiologically relevant range with a high degree of accuracy (tissues showed that the tissue scanner can detect small foci of breast cancer in a background of normal breast tissue. This tissue scanner is simpler in design, images a larger field of view at higher resolution and provides a more physically meaningful tissue diagnosis than other spectroscopic imaging systems currently reported in literatures. We believe this spectroscopic tissue scanner can provide real-time, comprehensive diagnostic imaging of surgical margins in excised tissues, overcoming the sampling limitation in current histopathology margin assessment. As such it is a significant step in the development of a platform technology for intraoperative management of cancer, a

  5. Portable optical fiber probe-based spectroscopic scanner for rapid cancer diagnosis: a new tool for intraoperative margin assessment.

    Directory of Open Access Journals (Sweden)

    Niyom Lue

    Full Text Available There continues to be a significant clinical need for rapid and reliable intraoperative margin assessment during cancer surgery. Here we describe a portable, quantitative, optical fiber probe-based, spectroscopic tissue scanner designed for intraoperative diagnostic imaging of surgical margins, which we tested in a proof of concept study in human tissue for breast cancer diagnosis. The tissue scanner combines both diffuse reflectance spectroscopy (DRS and intrinsic fluorescence spectroscopy (IFS, and has hyperspectral imaging capability, acquiring full DRS and IFS spectra for each scanned image pixel. Modeling of the DRS and IFS spectra yields quantitative parameters that reflect the metabolic, biochemical and morphological state of tissue, which are translated into disease diagnosis. The tissue scanner has high spatial resolution (0.25 mm over a wide field of view (10 cm × 10 cm, and both high spectral resolution (2 nm and high spectral contrast, readily distinguishing tissues with widely varying optical properties (bone, skeletal muscle, fat and connective tissue. Tissue-simulating phantom experiments confirm that the tissue scanner can quantitatively measure spectral parameters, such as hemoglobin concentration, in a physiologically relevant range with a high degree of accuracy (<5% error. Finally, studies using human breast tissues showed that the tissue scanner can detect small foci of breast cancer in a background of normal breast tissue. This tissue scanner is simpler in design, images a larger field of view at higher resolution and provides a more physically meaningful tissue diagnosis than other spectroscopic imaging systems currently reported in literatures. We believe this spectroscopic tissue scanner can provide real-time, comprehensive diagnostic imaging of surgical margins in excised tissues, overcoming the sampling limitation in current histopathology margin assessment. As such it is a significant step in the development of a

  6. Vaneless diffusers

    Science.gov (United States)

    Senoo, Y.

    The influence of vaneless diffusers on flow in centrifugal compressors, particularly on surge, is discussed. A vaneless diffuser can demonstrate stable operation in a wide flow range only if it is installed with a backward leaning blade impeller. The circumferential distortion of flow in the impeller disappears quickly in the vaneless diffuser. The axial distortion of flow at the diffuser inlet does not decay easily. In large specific speed compressors, flow out of the impeller is distorted axially. Pressure recovery of diffusers at distorted inlet flow is considerably improved by half guide vanes. The best height of the vanes is a little 1/2 diffuser width. In small specific speed compressors, flow out of the impeller is not much distorted and pressure recovery can be predicted with one-dimensional flow analysis. Wall friction loss is significant in narrow diffusers. The large pressure drop at a small flow rate can cause the positive gradient of the pressure-flow rate characteristic curve, which may cause surging.

  7. Kinetic modeling of dissolution and crystallization of slurries with attenuated total reflectance UV-visible absorbance and near-infrared reflectance measurements.

    Science.gov (United States)

    Hsieh, Chun H; Billeter, Julien; McNally, Mary Ellen P; Hoffman, Ronald M; Gemperline, Paul J

    2013-06-04

    Slurries are often used in chemical and pharmaceutical manufacturing processes but present challenging online measurement and monitoring problems. In this paper, a novel multivariate kinetic modeling application is described that provides calibration-free estimates of time-resolved profiles of the solid and dissolved fractions of a substance in a model slurry system. The kinetic model of this system achieved data fusion of time-resolved spectroscopic measurements from two different kinds of fiber-optic probes. Attenuated total reflectance UV-vis (ATR UV-vis) and diffuse reflectance near-infrared (NIR) spectra were measured simultaneously in a small-scale semibatch reactor. A simplified comprehensive kinetic model was then fitted to the time-resolved spectroscopic data to determine the kinetics of crystallization and the kinetics of dissolution for online monitoring and quality control purposes. The parameters estimated in the model included dissolution and crystal growth rate constants, as well as the dissolution rate order. The model accurately estimated the degree of supersaturation as a function of time during conditions when crystallization took place and accurately estimated the degree of undersaturation during conditions when dissolution took place.

  8. Kurtosis as a diffuseness measure

    DEFF Research Database (Denmark)

    Jeong, Cheol-Ho

    2016-01-01

    converges to zero, as the reflection overlap becomes heavier, which is an important condition for a perfect diffuse field. Two rooms are analyzed. A small rectangular room shows that a non-uniform surface absorption distribution tends to increase the kurtosis significantly. A full scale reverberation...... chamber is also tested with many different diffuser settings. Results show that the kurtosis from a broad band impulse response has a good correlation with the equivalent absorption coefficient according to ISO 354....

  9. Diffuse Interstellar Bands and Their Families

    CERN Document Server

    Wszolek, B

    2006-01-01

    Diffuse interstellar bands (DIBs) still await an explanation. One expects that some progress in this field will be possible when all the known DIBs are divided into families in such a way that only one carrier is responsible for all bands belonging to the given family. Analysing high resolution optical spectra of reddened stars we try to find out spectroscopic families for two prominent DIBs, at 5780 and 5797 angstroms. Among the DIBs, observed in the spectral range from 5590 to 6830 angstroms, we have found 8 candidates to belong to 5780 spectroscopic family and the other 12 DIBs candidating to family of 5797 structure.

  10. Probing Exciton Diffusion and Dissociation in Single-Walled Carbon Nanotube-C60 Heterojunctions

    Energy Technology Data Exchange (ETDEWEB)

    Dowgiallo, Anne-Marie; Mistry, Kevin S.; Johnson, Justin C.; Reid, Obadiah G.; Blackburn, Jeffrey L.

    2016-05-19

    The efficiency of thin-film organic photovoltaic (OPV) devices relies heavily upon the transport of excitons to type-II heterojunction interfaces, where there is sufficient driving force for exciton dissociation and ultimately the formation of charge carriers. Semiconducting single-walled carbon nanotubes (SWCNTs) are strong near-infrared absorbers that form type-II heterojunctions with fullerenes such as C60. Although the efficiencies of SWCNT-fullerene OPV devices have climbed over the past few years, questions remain regarding the fundamental factors that currently limit their performance. In this study, we determine the exciton diffusion length in the C60 layer of SWCNT-C60 bilayer active layers using femtosecond transient absorption measurements. We demonstrate that hole transfer from photoexcited C60 molecules to SWCNTs can be tracked by the growth of narrow spectroscopic signatures of holes in the SWCNT 'reporter layer'. In bilayers with thick C60 layers, the SWCNT charge-related signatures display a slow rise over hundreds of picoseconds, reflecting exciton diffusion through the C60 layer to the interface. A model based on exciton diffusion with a Beer-Lambert excitation profile, as well as Monte Carlo simulations, gives the best fit to the data as a function of C60 layer thickness using an exciton diffusion length of approximately 5 nm.

  11. Quantifying Reflection

    DEFF Research Database (Denmark)

    Alcock, Gordon Lindsay

    2013-01-01

    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....... 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......´ 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...

  12. 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...... and analyze the security properties of different families of coupling permutations. Finally, we concentrate on the case of reflection block ciphers and, as an illustration, we provide concrete examples of key schedules corresponding to several coupling permutations, which lead to new variants of the block...

  13. Diffuse scattering

    Energy Technology Data Exchange (ETDEWEB)

    Kostorz, G. [Eidgenoessische Technische Hochschule, Angewandte Physik, Zurich (Switzerland)

    1996-12-31

    While Bragg scattering is characteristic for the average structure of crystals, static local deviations from the average lattice lead to diffuse elastic scattering around and between Bragg peaks. This scattering thus contains information on the occupation of lattice sites by different atomic species and on static local displacements, even in a macroscopically homogeneous crystalline sample. The various diffuse scattering effects, including those around the incident beam (small-angle scattering), are introduced and illustrated by typical results obtained for some Ni alloys. (author) 7 figs., 41 refs.

  14. Relativistic diffusion.

    Science.gov (United States)

    Haba, Z

    2009-02-01

    We discuss relativistic diffusion in proper time in the approach of Schay (Ph.D. thesis, Princeton University, Princeton, NJ, 1961) and Dudley [Ark. Mat. 6, 241 (1965)]. We derive (Langevin) stochastic differential equations in various coordinates. We show that in some coordinates the stochastic differential equations become linear. We obtain momentum probability distribution in an explicit form. We discuss a relativistic particle diffusing in an external electromagnetic field. We solve the Langevin equations in the case of parallel electric and magnetic fields. We derive a kinetic equation for the evolution of the probability distribution. We discuss drag terms leading to an equilibrium distribution. The relativistic analog of the Ornstein-Uhlenbeck process is not unique. We show that if the drag comes from a diffusion approximation to the master equation then its form is strongly restricted. The drag leading to the Tsallis equilibrium distribution satisfies this restriction whereas the one of the Jüttner distribution does not. We show that any function of the relativistic energy can be the equilibrium distribution for a particle in a static electric field. A preliminary study of the time evolution with friction is presented. It is shown that the problem is equivalent to quantum mechanics of a particle moving on a hyperboloid with a potential determined by the drag. A relation to diffusions appearing in heavy ion collisions is briefly discussed.

  15. Effect of anatomy on spectroscopic detection of cervical dysplasia

    Science.gov (United States)

    Mirkovic, Jelena; Lau, Condon; McGee, Sasha; Yu, Chung-Chieh; Nazemi, Jonathan; Galindo, Luis; Feng, Victoria; Darragh, Teresa; de Las Morenas, Antonio; Crum, Christopher; Stier, Elizabeth; Feld, Michael; Badizadegan, Kamran

    2009-07-01

    It has long been speculated that underlying variations in tissue anatomy affect in vivo spectroscopic measurements. We investigate the effects of cervical anatomy on reflectance and fluorescence spectroscopy to guide the development of a diagnostic algorithm for identifying high-grade squamous intraepithelial lesions (HSILs) free of the confounding effects of anatomy. We use spectroscopy in both contact probe and imaging modes to study patients undergoing either colposcopy or treatment for HSIL. Physical models of light propagation in tissue are used to extract parameters related to tissue morphology and biochemistry. Our results show that the transformation zone, the area in which the vast majority of HSILs are found, is spectroscopically distinct from the adjacent squamous mucosa, and that these anatomical differences can directly influence spectroscopic diagnostic parameters. Specifically, we demonstrate that performance of diagnostic algorithms for identifying HSILs is artificially enhanced when clinically normal squamous sites are included in the statistical analysis of the spectroscopic data. We conclude that underlying differences in tissue anatomy can have a confounding effect on diagnostic spectroscopic parameters and that the common practice of including clinically normal squamous sites in cervical spectroscopy results in artificially improved performance in distinguishing HSILs from clinically suspicious non-HSILs.

  16. SICK: THE SPECTROSCOPIC INFERENCE CRANK

    Energy Technology Data Exchange (ETDEWEB)

    Casey, Andrew R., E-mail: arc@ast.cam.ac.uk [Institute of Astronomy, University of Cambridge, Madingley Road, Cambdridge, CB3 0HA (United Kingdom)

    2016-03-15

    There exists an inordinate amount of spectral data in both public and private astronomical archives that remain severely under-utilized. The lack of reliable open-source tools for analyzing large volumes of spectra contributes to this situation, which is poised to worsen as large surveys successively release orders of magnitude more spectra. In this article I introduce sick, the spectroscopic inference crank, a flexible and fast Bayesian tool for inferring astrophysical parameters from spectra. sick is agnostic to the wavelength coverage, resolving power, or general data format, allowing any user to easily construct a generative model for their data, regardless of its source. sick can be used to provide a nearest-neighbor estimate of model parameters, a numerically optimized point estimate, or full Markov Chain Monte Carlo sampling of the posterior probability distributions. This generality empowers any astronomer to capitalize on the plethora of published synthetic and observed spectra, and make precise inferences for a host of astrophysical (and nuisance) quantities. Model intensities can be reliably approximated from existing grids of synthetic or observed spectra using linear multi-dimensional interpolation, or a Cannon-based model. Additional phenomena that transform the data (e.g., redshift, rotational broadening, continuum, spectral resolution) are incorporated as free parameters and can be marginalized away. Outlier pixels (e.g., cosmic rays or poorly modeled regimes) can be treated with a Gaussian mixture model, and a noise model is included to account for systematically underestimated variance. Combining these phenomena into a scalar-justified, quantitative model permits precise inferences with credible uncertainties on noisy data. I describe the common model features, the implementation details, and the default behavior, which is balanced to be suitable for most astronomical applications. Using a forward model on low-resolution, high signal

  17. Commentary on "Goodacre R, Timmins ÉM, Rooney PJ, Rowland JJ, Kell DB: Rapid identification of Streptococcus and Enterococcus species using diffuse reflectance-absorbance Fourier transform infrared spectroscopy and artificial neural networks. FEMS Microbiol Lett 1996; 140:233-239", the most cited paper in the Journal for that year.

    Science.gov (United States)

    Goodacre, Royston; Kell, Douglas B

    2017-01-26

    This is an invited review/commentary by the first and last authors of a paper that was the most cited in FEMS Microbiology Letters for 1996, presently showing in excess of 150 citations at Web of Science, and over 200 at Google Scholar. It was the first paper in which diffuse-reflectance-absorbance FT-IR spectroscopy was used with a supervised learning method in the form of artificial neural networks, and showed that this combination could succeed in discriminating a series of closely related, clinically relevant, Gram-positive bacterial strains.

  18. Enhancing forensic science with spectroscopic imaging

    Science.gov (United States)

    Ricci, Camilla; Kazarian, Sergei G.

    2006-09-01

    This presentation outlines the research we are developing in the area of Fourier Transform Infrared (FTIR) spectroscopic imaging with the focus on materials of forensic interest. FTIR spectroscopic imaging has recently emerged as a powerful tool for characterisation of heterogeneous materials. FTIR imaging relies on the ability of the military-developed infrared array detector to simultaneously measure spectra from thousands of different locations in a sample. Recently developed application of FTIR imaging using an ATR (Attenuated Total Reflection) mode has demonstrated the ability of this method to achieve spatial resolution beyond the diffraction limit of infrared light in air. Chemical visualisation with enhanced spatial resolution in micro-ATR mode broadens the range of materials studied with FTIR imaging with applications to pharmaceutical formulations or biological samples. Macro-ATR imaging has also been developed for chemical imaging analysis of large surface area samples and was applied to analyse the surface of human skin (e.g. finger), counterfeit tablets, textile materials (clothing), etc. This approach demonstrated the ability of this imaging method to detect trace materials attached to the surface of the skin. This may also prove as a valuable tool in detection of traces of explosives left or trapped on the surfaces of different materials. This FTIR imaging method is substantially superior to many of the other imaging methods due to inherent chemical specificity of infrared spectroscopy and fast acquisition times of this technique. Our preliminary data demonstrated that this methodology will provide the means to non-destructive detection method that could relate evidence to its source. This will be important in a wider crime prevention programme. In summary, intrinsic chemical specificity and enhanced visualising capability of FTIR spectroscopic imaging open a window of opportunities for counter-terrorism and crime-fighting, with applications ranging

  19. 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

  20. Reflective equilibrium

    NARCIS (Netherlands)

    van der Burg, W.; van Willigenburg, T.

    1998-01-01

    The basic idea of reflective equilibrium, as a method for theory construction and decision making in ethics, is that we should bring together a broad variety of moral and non-moral beliefs and, through a process of critical scrutiny and mutual adjustment, combine these into one coherent belief syste

  1. Reflective equilibrium

    NARCIS (Netherlands)

    van der Burg, W.; van Willigenburg, T.

    1998-01-01

    The basic idea of reflective equilibrium, as a method for theory construction and decision making in ethics, is that we should bring together a broad variety of moral and non-moral beliefs and, through a process of critical scrutiny and mutual adjustment, combine these into one coherent belief syste

  2. Analysis of {sup 18}F-FDG PET diffuse bone marrow uptake and splenic uptake in staging of Hodgkin's lymphoma: a reflection of disease infiltration or just inflammation?

    Energy Technology Data Exchange (ETDEWEB)

    Salaun, Pierre Y. [University Hospital of Brest, Nuclear Medicine Department, Brest (France); Rene Gauducheau Cancer Center, Nuclear Medicine Department, Nantes (France); Gastinne, Thomas [University Hospital of Nantes, Department of Haematology, Nantes (France); Bodet-Milin, Caroline [University Hospital of Nantes, Nuclear Medicine Department, Nantes (France); Campion, Loic [Rene Gauducheau Cancer Center, Biostatistics Unit, Nantes (France); INSERM UMR 892, CRCNA, Nantes (France); Cambefort, Pierre [University Hospital of Brest, Nuclear Medicine Department, Brest (France); Moreau, Anne [University Hospital of Nantes, Department of Histopathology, Nantes (France); Le Gouill, Steven; Moreau, Philippe [University Hospital of Nantes, Department of Haematology, Nantes (France); INSERM UMR 892, CRCNA, Nantes (France); Berthou, Christian [University Hospital of Brest, Department of Haematology, Brest (France); Kraeber-Bodere, Francoise [Rene Gauducheau Cancer Center, Nuclear Medicine Department, Nantes (France); University Hospital of Nantes, Nuclear Medicine Department, Nantes (France); INSERM UMR 892, CRCNA, Nantes (France)

    2009-11-15

    {sup 18}F-FDG PET has been successfully evaluated in the management of Hodgkin's lymphoma (HL) and the most recent international guidelines recommended {sup 18}F-FDG PET for initial staging and final therapeutic assessment. However, {sup 18}F-FDG PET diffuse bone marrow uptake (BMU) and splenic uptake (SU) are frequently observed at the initial imaging and remain difficult to analyse. The aim of this retrospective study was to evaluate the significance of {sup 18}F-FDG diffuse BMU and SU in initial staging of HL. A total of 106 patients (median age: 31 years, range: 9-81, 51 female, 55 male) underwent {sup 18}F-FDG PET/CT for initial staging of HL. BMU level was assessed visually according to liver uptake (1 = below liver uptake, 2 = corresponding to liver uptake, 3 = above liver uptake) and semi-quantitatively using the maximum standardized uptake value (SUV{sub max}) measured in the sacral area. SU was assessed visually according to liver uptake (1 = below liver uptake, 2 = corresponding to liver uptake, 3 = above liver uptake). These data were compared with the patient's characteristics including sex, age, Ann Arbor staging, bulky disease (tumour burden > 10 cm), presence of B symptoms, bone foci on PET (n = 106), bone marrow involvement (BMI) on biopsy (n = 75), leukocyte count (n = 74), lactic dehydrogenase (LDH) (n = 87), C-reactive protein (CRP) (n = 83) and fibrinogen (n = 60). Univariate and multivariate analyses were performed. Multivariate analysis found an independent correlation between BMU visual grading and CRP level (p = 0.007). For semi-quantitative BMU evaluation, multivariate analysis found an independent correlation between sacral SUVs and CRP level (p = 0.032) and Ann Arbor stage (p = 0.005). No BMI was found in patients who presented with SUV{sub max} below 3.4. For splenic evaluation, multivariate analysis found an independent correlation between SU and splenic foci (p = 0.034). No statistical link was found between SU and

  3. Large Sky Area Multi-Object Fiber Spectroscopic Telescope

    Institute of Scientific and Technical Information of China (English)

    ZHAO Yongheng

    2011-01-01

    The Large Sky Area Multi-Object Fiber Spectroscopic Telescope (LAMOST) is a meridian reflecting Schmidt telescope with a clear aperture of four meters, a focal length of 20 meters and a field of view of five degrees. By using active optics technique to control its reflecting corrector, the LAMOST is made a unique astronomical instrument in combining a large aperture with a wide field of view. The available large focal plane of 1.75 meter in diameter can accommodate up to 4,000 fibers,

  4. Additional TWA Members? Spectroscopic verification of kinematically selected TWA candidates

    CERN Document Server

    Song, I; Zuckerman, B; Song, Inseok

    2002-01-01

    We present spectroscopic measurements of the 23 new candidate members of the TW Hydrae Association from Makarov & Fabricius (2000). Based on Halpha and Li 6708 A strengths together with location on a color-magnitude diagram for Hipparcos TWA candidates, we found only three possible new members (TYC 7760-0835-1, TYC 8238-1462-1, and TYC 8234-2856-1) in addition to the already known member, TWA 19. This eliminated most of the candidates more distant than 100 pc. Three Tycho stars, almost certainly members of the Lower Centaurus Crux association, are the most distant members of the TWA. A claim of isotropic expansion of TWA has to be re-evaluated based on our new results. Generally, one cannot identify new members of a diffuse nearby stellar group based solely on kinematic data. To eliminate interlopers with similar kinematics, spectroscopic verification is essential.

  5. Hereditary Diffuse Gastric Cancer

    Science.gov (United States)

    ... Hereditary Diffuse Gastric Cancer Request Permissions Hereditary Diffuse Gastric Cancer Approved by the Cancer.Net Editorial Board , 11/2015 What is hereditary diffuse gastric cancer? Hereditary diffuse gastric cancer (HDGC) is an inherited ...

  6. Depth-resolved measurements with elliptically polarized reflectance spectroscopy.

    Science.gov (United States)

    Bailey, Maria J; Sokolov, Konstantin

    2016-07-01

    The ability of elliptical polarized reflectance spectroscopy (EPRS) to detect spectroscopic alterations in tissue mimicking phantoms and in biological tissue in situ is demonstrated. It is shown that there is a linear relationship between light penetration depth and ellipticity. This dependence is used to demonstrate the feasibility of a depth-resolved spectroscopic imaging using EPRS. The advantages and drawbacks of EPRS in evaluation of biological tissue are analyzed and discussed.

  7. Spectroscopic analysis of optoelectronic semiconductors

    CERN Document Server

    Jimenez, Juan

    2016-01-01

    This book deals with standard spectroscopic techniques which can be used to analyze semiconductor samples or devices, in both, bulk, micrometer and submicrometer scale. The book aims helping experimental physicists and engineers to choose the right analytical spectroscopic technique in order to get specific information about their specific demands. For this purpose, the techniques including technical details such as apparatus and probed sample region are described. More important, also the expected outcome from experiments is provided. This involves also the link to theory, that is not subject of this book, and the link to current experimental results in the literature which are presented in a review-like style. Many special spectroscopic techniques are introduced and their relationship to the standard techniques is revealed. Thus the book works also as a type of guide or reference book for people researching in optical spectroscopy of semiconductors.

  8. Theory of reflection reflection and transmission of electromagnetic, particle and acoustic waves

    CERN Document Server

    Lekner, John

    2016-01-01

    This book deals with the reflection of electromagnetic and particle waves by interfaces. The interfaces can be sharp or diffuse. The topics of the book contain absorption, inverse problems, anisotropy, pulses and finite beams, rough surfaces, matrix methods, numerical methods,  reflection of particle waves and neutron reflection. Exact general results are presented, followed by long wave reflection, variational theory, reflection amplitude equations of the Riccati type, and reflection of short waves. The Second Edition of the Theory of Reflection is an updated and much enlarged revision of the 1987 monograph. There are new chapters on periodically stratified media, ellipsometry, chiral media, neutron reflection and reflection of acoustic waves. The chapter on anisotropy is much extended, with a complete treatment of the reflection and transmission properties of arbitrarily oriented uniaxial crystals. The book gives a systematic and unified treatment reflection and transmission of electromagnetic and particle...

  9. Identifying the mechanisms of drug release from amorphous solid dispersions using MRI and ATR-FTIR spectroscopic imaging.

    Science.gov (United States)

    Punčochová, Kateřina; Ewing, Andrew V; Gajdošová, Michaela; Sarvašová, Nina; Kazarian, Sergei G; Beránek, Josef; Štěpánek, František

    2015-04-10

    The dissolution mechanism of a poorly aqueous soluble drug from amorphous solid dispersions was investigated using a combination of two imaging methods: attenuated total reflection-Fourier transform infrared (ATR-FTIR) spectroscopic imaging and magnetic resonance imaging (MRI). The rates of elementary processes such as water penetration, polymer swelling, growth and erosion of gel layer, and the diffusion, release and in some cases precipitation of drug were evaluated by image analysis. The results from the imaging methods were compared with drug release profiles obtained by classical dissolution tests. The study was conducted using three polymeric excipients (soluplus, polyvinylpyrrolidone - PVP K30, hydroxypropylmethyl cellulose - HPMC 100M) alone and in combination with a poorly soluble drug, aprepitant. The imaging methods were complementary: ATR-FTIR imaging enabled a qualitative observation of all three components during the dissolution experiments, water, polymer and drug, including identifying structural changes from the amorphous form of drug to the crystalline form. The comparison of quantitative MRI data with drug release profiles enabled the different processes during dissolution to be established and the rate-limiting step to be identified, which - for the drug-polymer combinations investigated in this work - was the drug diffusion through the gel layer rather than water penetration into the tablet.

  10. Diffusion coefficient in photon diffusion theory

    NARCIS (Netherlands)

    Graaff, R; Ten Bosch, JJ

    2000-01-01

    The choice of the diffusion coefficient to be used in photon diffusion theory has been a subject of discussion in recent publications on tissue optics. We compared several diffusion coefficients with the apparent diffusion coefficient from the more fundamental transport theory, D-app. Application to

  11. Diffusion coefficient in photon diffusion theory

    NARCIS (Netherlands)

    Graaff, R; Ten Bosch, JJ

    2000-01-01

    The choice of the diffusion coefficient to be used in photon diffusion theory has been a subject of discussion in recent publications on tissue optics. We compared several diffusion coefficients with the apparent diffusion coefficient from the more fundamental transport theory, D-app. Application to

  12. A DVD Spectroscope: A Simple, High-Resolution Classroom Spectroscope

    Science.gov (United States)

    Wakabayashi, Fumitaka; Hamada, Kiyohito

    2006-01-01

    Digital versatile disks (DVDs) have successfully made up an inexpensive but high-resolution spectroscope suitable for classroom experiments that can easily be made with common material and gives clear and fine spectra of various light sources and colored material. The observed spectra can be photographed with a digital camera, and such images can…

  13. Silicon infrared diffuser for wireless communication

    Science.gov (United States)

    Massera, Ettore; Rea, Ilaria; Nasti, Ivana; Maddalena, Pasqualino; di Francia, Girolamo

    2006-09-01

    We show what we believe to be a novel way to use silicon in infrared radio communication as a suitable material for the realization of optical diffusers in the range of 850-1600 nm. A crystalline silicon wafer is made porous by means of electrochemical etching. The porous silicon produced is optically characterized, and measurements report a high reflectance in the band of interest. We also study the angular distribution of diffused radiation by the porous silicon surface at different angles of incident radiation. Measurements show that radiation diffuses in a quasi-Lambertian manner, confirming the good performance of this material as an incident radiation diffuser.

  14. Batch sorption and spectroscopic speciation studies of neptunium uptake by montmorillonite and corundum

    Science.gov (United States)

    Elo, O.; Müller, K.; Ikeda-Ohno, A.; Bok, F.; Scheinost, A. C.; Hölttä, P.; Huittinen, N.

    2017-02-01

    Detailed information on neptunium(V) speciation on montmorillonite and corundum surfaces was obtained by batch sorption and desorption studies combined with surface complexation modelling using the Diffuse Double-Layer (DDL) model, in situ time-resolved Attenuated Total Reflection Fourier-Transform Infrared (ATR FT-IR) and X-ray absorption (XAS) spectroscopies. The pH-dependent batch sorption studies and the spectroscopic investigations were conducted under carbonate-free conditions in 10 mM NaClO4 or 10 mM NaCl. Solid concentrations of 0.5 g/l and 5 g/l were used depending on the experiment. The neptunium(V) desorption from the two mineral surfaces was investigated at pH values ranging from 8 to 10, using the replenishment technique. Neptunium(V) was found to desorb from the mineral surface, however, the extent of desorption was dependent on the solution pH. The desorption of neptunium(V) was confirmed in the ATR FT-IR spectroscopic studies at pH 10, where all of the identified inner-sphere complexed neptunium(V), characterized by a vibrational band at 790 cm-1, was desorbed from both mineral surfaces upon flushing the mineral films with a blank electrolyte solution. In XAS investigations of neptunium(V) uptake by corundum, the obtained structural parameters confirm the formation of an inner-sphere complex adsorbed on the surface in a bidentate fashion. As the inner-sphere complexes found in the IR-studies are characterized by identical sorption bands on both corundum and montmorillonite, we tentatively assigned the neptunium(V) inner-sphere complex on montmorillonite to the same bidentate complex found on corundum in the XAS investigations. Finally, the obtained batch sorption and spectroscopic results were modelled with surface complexation modelling to explain the neptunium(V) speciation on montmorillonite over the entire investigated pH range. The modelling results show that cation exchange in the interlayer space as well as two pH-dependent surface complexes

  15. Spectroscopic study of humic acids fractionated by means of tangential ultrafiltration

    Science.gov (United States)

    Francioso, O.; Sánchez-Cortés, S.; Casarini, D.; Garcia-Ramos, J. V.; Ciavatta, C.; Gessa, C.

    2002-05-01

    Different chemical and spectroscopic techniques—diffuse reflectance infrared Fourier transform (DRIFT), surface-enhanced Raman spectroscopy (SERS), and 1H, 13C nuclear magnetic resonance (NMR) have been applied to investigate a peat humic acid (HA) separated by tangential ultrafiltration into different nominal molecular weight (NMW) fractions. Each fraction analyzed showed a characteristic DRIFT and NMR pattern. High nominal molecular weight fractions were mainly characterized by long chains of methyl and methylene groups and poorly substituted aromatic rings, while in low nominal molecular weight fractions (L-NMW), phenolic and oxygen-containing groups were predominant. A comparative study on fractions before and after treatment with 0.5 M HCl was carried out. Purified fractions showed either an increase in the carboxylate and phenolic OH groups or an improvement in signal-to-noise ratio of their NMR spectra. The SERS study of NMW fractions allowed significative information on structure and conformation of these fractions. In particular, L-NMW fractions showed a great structural modification, when different alkaline extractants or treatment with HCl were used. Humic-like substances obtained by catechol and gallic acid polymerization on metal surface were investigated using SERS. The SERS spectra of these polymers were compared and discussed with those of NMW HA fractions.

  16. Thermal stability and hydration behavior of ritonavir sulfate: A vibrational spectroscopic approach

    Directory of Open Access Journals (Sweden)

    Kaweri Gambhir

    2015-12-01

    Full Text Available Ritonavir sulfate is a protease inhibitor widely used in the treatment of acquired immunodeficiency syndrome. In order to elucidate the inherent stability and sensitivity characteristics of ritonavir sulfate, it was investigated under forced thermal and hydration stress conditions as recommended by the International Conference on Harmonization guidelines. In addition, competency of vibrational (infrared and Raman spectroscopy was assessed to identify structural changes of the drug symbolizing its stress degradation. High performance liquid chromatography was used as a confirmatory technique for both thermal and hydration stress study, while thermogravimetric analysis/differential thermal analysis and atomic force microscopy substantiated the implementation of vibrational spectroscopy in this framework. The results exhibited high thermal stability of the drug as significant variations were observed in the diffuse reflectance infrared Fourier transform spectra only after the drug exposure to thermal radiations at 100 °C. Hydration behavior of ritonavir sulfate was evaluated using Raman spectroscopy and the value of critical relative humidity was found to be >67%. An important aspect of this study was to utilize vibrational spectroscopic technique to address stability issues of pharmacological molecules, not only for their processing in pharmaceutical industry, but also for predicting their shelf lives and suitable storage conditions.

  17. Thermal stability and hydration behavior of ritonavir sulfate:A vibrational spectroscopic approach

    Institute of Scientific and Technical Information of China (English)

    Kaweri Gambhir; Parul Singh; Deepak K Jangir; Ranjana Mehrotra

    2015-01-01

    abstract Ritonavir sulfate is a protease inhibitor widely used in the treatment of acquired immunodeficiency syndrome. In order to elucidate the inherent stability and sensitivity characteristics of ritonavir sulfate, it was investigated under forced thermal and hydration stress conditions as recommended by the Inter-national Conference on Harmonization guidelines. In addition, competency of vibrational (infrared and Raman) spectroscopy was assessed to identify structural changes of the drug symbolizing its stress de-gradation. High performance liquid chromatography was used as a confirmatory technique for both thermal and hydration stress study, while thermogravimetric analysis/differential thermal analysis and atomic force microscopy substantiated the implementation of vibrational spectroscopy in this frame-work. The results exhibited high thermal stability of the drug as significant variations were observed in the diffuse reflectance infrared Fourier transform spectra only after the drug exposure to thermal ra-diations at 100 °C. Hydration behavior of ritonavir sulfate was evaluated using Raman spectroscopy and the value of critical relative humidity was found to be 4 67%. An important aspect of this study was to utilize vibrational spectroscopic technique to address stability issues of pharmacological molecules, not only for their processing in pharmaceutical industry, but also for predicting their shelf lives and suitable storage conditions.

  18. A Spectroscopic Investigation on the Structural Evolution of Soy Based Polyurethane Foams

    Science.gov (United States)

    Puthanparambil, Deepa; Kimball, Casey; Hsu, Shaw L.

    2009-03-01

    Our current research deals with an economical and renewable soy based polyol for use in polyurethane foams. Infrared spectroscopic studies have revealed that the amount of polyurea segments formed and the kinetics of their formation in soy based polyurethane foam systems are considerably different from traditional systems employing ethylene oxide -- propylene oxide based polyols. The most crucial aspect of this research deals with the miscibility of water in the reactive mixtures involving extremely hydrophobic soy-based polyols. High Field Nuclear Magnetic Resonance Spectroscopy (NMR) with D2O as the probing agent was employed to determine the miscibility behavior at the molecular level. This technique was able to establish the structure and location of dispersed water, which can be extremely different based on the polyols used, thus affecting the morphology of the foam. The length and amount of polyureas directly impact the kinetics of the phase separation process to form the hard-segment rich domains and associated physical properties. The aggregation of these polyurea hard domains were characterized by the hydrogen bonds formed. This structural transformation as a function of reaction is also reflected in the segmental relaxation kinetics characterized by spin-spin diffusion, measured using a low field NMR instrument.

  19. Reflection on the Pharmaceutical Care for a Case of Diffuse Panbronchiolitis%对1例弥漫性泛细支气管炎患者药学监护的思考

    Institute of Scientific and Technical Information of China (English)

    李爱君; 顾红燕

    2014-01-01

    Objective A case of the treatment for an sufferer of diffuse panbronchiolitis was taken to show the necessity for clinical pharmacists participating the whole process of medical treatment and pharmaceutical care,that’s will be helpful to understand what the therapeutic team consider and how to supply better medical and pharmaceutical service.Methods The clinical diagnosis index,the definition of diffuse panbronchiolitis clinical diagnosis of the disease and specific treatment.At the same time,according to our hospital of diffuse panbronchiolitis in patients with clinical data,mechanism of action and the dosage of diagnoses and treatment of medicine and clinical pharmacists in which the role of pharmaceutical care,diffuse panbronchiolitis were referred to.Results Diffuse panbronchiolitis is a diffuse in two lung respiratory bronchioles chronic inflammatory airway disease in clinic,and easily with other chronic airway diseases confusion.At present,there is no diagnostic criteria,mainly referring to his country's diagnostic criteria.For the choice of treatment depends on the clinical data of the patients with the situation of rational choice.Conclusions The clinical pharmacists to actual clinical situation closely related cases in the work,familiar with the diagnosis and treatment of a doctor,familiar with the occurrence and development mechanism,the treatment of related diseases diagnosis and treatment progress,guide,for clinical provides more knowledge of medicine and drug ideas and reliable,making better guide clinical medication.%目的:以对一例弥漫性泛细支气管炎病人诊疗的全过程参与和药学监护为例,说明临床药师需要参与对患者完整的医疗过程,不断地了解相关疾病的发生发展机制及相关诊治指南,从而拓展自身更为宽泛的用药思路,以便为用药提供良好的药学支持,并为临床医生提供可靠的药学信息服务。方法阐述临床对弥漫性泛细支气管炎的定

  20. On Reflection

    DEFF Research Database (Denmark)

    Blasco, Maribel

    2012-01-01

    This article explores how the concept of reflexivity is used in intercultural education. Reflexivity is often presented as a key learning goal in acquiring intercultural competence (ICC). Yet, reflexivity can be defined in different ways, and take different forms across time and space, depending...... 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...... in designing learning objectives in intercultural education and in devising ways to attain them. Greater attention is also needed in intercultural education to the ways in which selfhood, and hence also reflexivity and constructions of difference, differ across space and time....

  1. Inspiring Reflections

    DEFF Research Database (Denmark)

    Muchie, Mammo

    2011-01-01

    contributions have been put together. There are a number of ways to continue Chris Freeman's legacy on innovation research. The first is to build in a critical tradition in the economics of innovation research by introducing fearlessly emancipatory epistemology. Second the economic system that dominates social......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...

  2. Oxygen diffusion in bilayer polymer films

    DEFF Research Database (Denmark)

    Poulsen, Lars; Zebger, Ingo; Tofte, Jannik Pentti;

    2004-01-01

    Experiments to quantify oxygen diffusion have been performed on polymer samples in which a film of poly(ethylene-co-norbornene) was cast onto a film of polystyrene which, in turn, was cast onto an oxygen-impermeable substrate. In the technique employed, the time evolution of oxygen transport...... through the film of poly(ethylene-co-norbornene) and into the polystyrene film was monitored using the phosphorescence of singlet oxygen as a spectroscopic probe. To analyze the data, it was necessary to solve Fick's second law of diffusion for both polymer films. Tractable analytical and numerical...... solutions were obtained for the problem. Moreover, the numerical solution is sufficiently general that it can be used to simulate oxygen concentration profiles in films consisting of more than two layers. Data obtained from the bilayer films yield a diffusion coefficient for oxygen in poly...

  3. 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

  4. Challenge for spectroscopic tomography of biomembrane using imaging type two-dimensional Fourier spectroscopy

    Science.gov (United States)

    Qi, Wei; Ishimaru, Ichiro

    2010-02-01

    We propose an image-producing Fourier spectroscopic technology that enables two-dimensional spectroscopic images to be obtained within the focusing plane alone. This technology incorporates auto-correlational phase-shift interferometry that uses only object light generated by the bright points that optically make up the object. We are currently involved in studies of non-invasive technologies used to measure blood components such as glucose and lipids, which are measured for use in daily living. Previous studies have investigated non-invasive technologies that measure blood glucose levels by utilizing near-infrared light that permeates the skin well. It has been confirmed that subtle changes in the concentration of a glucose solution, a sample used to measure the glucose level, can be measured by analyzing the spectroscopic characteristics of near-infrared light; however, when applied to a biomembrane, technology such as this is incapable of precisely measuring the glucose level because light diffusion within the skin disturbs the measurement. Our proposed technology enables two-dimensional spectroscopy to a limited depth below the skin covered by the measurement. Specifically, our technology concentrates only on the vascular territory near the skin surface, which is only minimally affected by light diffusion, as discussed previously; the spectroscopic characteristics of this territory are obtained and the glucose level can be measured with good sensitivity. In this paper we propose an image-producing Fourier spectroscopy method that is used as the measuring technology in producing a three-dimensional spectroscopic image.

  5. 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

  6. Diffusion archeology for diffusion progression history reconstruction.

    Science.gov (United States)

    Sefer, Emre; Kingsford, Carl

    2016-11-01

    Diffusion through graphs can be used to model many real-world processes, such as the spread of diseases, social network memes, computer viruses, or water contaminants. Often, a real-world diffusion cannot be directly observed while it is occurring - perhaps it is not noticed until some time has passed, continuous monitoring is too costly, or privacy concerns limit data access. This leads to the need to reconstruct how the present state of the diffusion came to be from partial diffusion data. Here, we tackle the problem of reconstructing a diffusion history from one or more snapshots of the diffusion state. This ability can be invaluable to learn when certain computer nodes are infected or which people are the initial disease spreaders to control future diffusions. We formulate this problem over discrete-time SEIRS-type diffusion models in terms of maximum likelihood. We design methods that are based on submodularity and a novel prize-collecting dominating-set vertex cover (PCDSVC) relaxation that can identify likely diffusion steps with some provable performance guarantees. Our methods are the first to be able to reconstruct complete diffusion histories accurately in real and simulated situations. As a special case, they can also identify the initial spreaders better than the existing methods for that problem. Our results for both meme and contaminant diffusion show that the partial diffusion data problem can be overcome with proper modeling and methods, and that hidden temporal characteristics of diffusion can be predicted from limited data.

  7. An empirical evaluation of three vibrational spectroscopic methods for detection of aflatoxins in maize.

    Science.gov (United States)

    Lee, Kyung-Min; Davis, Jessica; Herrman, Timothy J; Murray, Seth C; Deng, Youjun

    2015-04-15

    Three commercially available vibrational spectroscopic techniques, including Raman, Fourier transform near infrared reflectance (FT-NIR), and Fourier transform infrared (FTIR) were evaluated to help users determine the spectroscopic method best suitable for aflatoxin analysis in maize (Zea mays L.) grain based on their relative efficiency and predictive ability. Spectral differences of Raman and FTIR spectra were more marked and pronounced among aflatoxin contamination groups than those of FT-NIR spectra. From the observations and findings in our current and previous studies, Raman and FTIR spectroscopic methods are superior to FT-NIR method in terms of predictive power and model performance for aflatoxin analysis and they are equally effective and accurate in predicting aflatoxin concentration in maize. The present study is considered as the first attempt to assess how spectroscopic techniques with different physical processes can influence and improve accuracy and reliability for rapid screening of aflatoxin contaminated maize samples.

  8. The APOKASC Catalog: An Asteroseismic and Spectroscopic Joint Survey of Targets in the Kepler Fields

    CERN Document Server

    Pinsonneault, Marc H; Epstein, Courtney; Hekker, Saskia; Mészáros, Sz; Chaplin, William J; Johnson, Jennifer A; García, Rafael A; Holtzman, Jon; Mathur, Savita; Pérez, Ana García; Aguirre, Victor Silva; Girardi, Léo; Basu, Sarbani; Shetrone, Matthew; Stello, Dennis; Prieto, Carlos Allende; An, Deokkeun; Beck, Paul; Beers, Timothy C; Bizyaev, Dmitry; Bloemen, Steven; Bovy, Jo; Cunha, Katia; De Ridder, Joris; Frinchaboy, Peter M; Garcia-Hernández, D A; Gilliland, Ronald; Harding, Paul; Hearty, Fred R; Huber, Daniel; Ivans, Inese; Kallinger, Thomas; Majewski, Steven R; Metcalfe, Travis S; Miglio, Andrea; Mosser, Benoit; Muna, Demitri; Nidever, David L; Schneider, Donald P; Serenelli, Aldo; Smith, Verne V; Tayar, Jamie; Zamora, Olga; Zasowski, Gail

    2014-01-01

    We present the first APOKASC catalog of spectroscopic and asteroseismic properties of 1916 red giants observed in the Kepler fields. The spectroscopic parameters provided from the Apache Point Observatory Galactic Evolution Experiment project are complemented with asteroseismic surface gravities, masses, radii, and mean densities determined by members of the Kepler Asteroseismology Science Consortium. We assess both random and systematic sources of error and include a discussion of sample selection for giants in the Kepler fields. Total uncertainties in the main catalog properties are of order 80 K in Teff , 0.06 dex in [M/H], 0.014 dex in log g, and 12% and 5% in mass and radius, respectively; these reflect a combination of systematic and random errors. Asteroseismic surface gravities are substantially more precise and accurate than spectroscopic ones, and we find good agreement between their mean values and the calibrated spectroscopic surface gravities. There are, however, systematic underlying trends with...

  9. Determination Active Ingredients of Fudosteine Using Near Infrared Diffuse Reflectance Spectroscopy Combined with Partial Least Squares%近红外光谱结合偏最小二乘法测定福多斯坦成分含量

    Institute of Scientific and Technical Information of China (English)

    张卫民; 何文; 吴拥军

    2012-01-01

    采用近红外漫反射光谱分析技术和偏最小二乘法对福多斯坦药物的有效成分进行定量分析测定,采集48个不同比例的福多斯坦样品近红外漫反射光谱,用一阶导数的光谱预处理方法,结合偏最小二乘法建立福多斯坦的定量分析模型.结果显示:交互验证均方根误差为0.003 57,相关系数R为0.994 77,预测均方根误差为0.003 89,平均回收率为99.63% (n=8),结果表明,用近红外光谱分析技术联合偏最小二乘法对福多斯坦进行定量分析结果准确可靠,方法简便快速.%Near infrared reflectance spectroscopy (NIRS) and partial least squares (PLS) method were applied for the fast, non-destructive, quantitative analysis of fudosteine. The fudosteine quantitative analysis model was established by 48 different series near-infrared reflectance spectroscopy of fudosteine samples, combined with a derivative of the spectral pretreatment method and partial least squares. The cross-validation root mean square error was 0.003 57 and correlation coefficient R was 0.994 77; root mean square error of prediction was 0.003 89. The average recovery was 99.63% (n=8). It is shown that near-infrared spectroscopy technology for fudosteine quantitative analysis is accurate and reliable. The method is simple and rapid,and it may be extended to industrial on-line analysis of such samples.

  10. Resolving and measuring diffusion in complex interfaces: Exploring new capabilities

    Energy Technology Data Exchange (ETDEWEB)

    Alam, Todd M. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

    2015-09-01

    This exploratory LDRD targeted the use of a new high resolution spectroscopic diffusion capabilities developed at Sandia to resolve transport processes at interfaces in heterogeneous polymer materials. In particular, the combination of high resolution magic angle spinning (HRMAS) nuclear magnetic resonance (NMR) spectroscopy with pulsed field gradient (PFG) diffusion experiments were used to directly explore interface diffusion within heterogeneous polymer composites, including measuring diffusion for individual chemical species in multi-component mixtures. Several different types of heterogeneous polymer systems were studied using these HRMAS NMR diffusion capabilities to probe the resolution limitations, determine the spatial length scales involved, and explore the general applicability to specific heterogeneous systems. The investigations pursued included a) the direct measurement of the diffusion for poly(dimethyl siloxane) polymer (PDMS) on nano-porous materials, b) measurement of penetrant diffusion in additive manufactures (3D printed) processed PDMS composites, and c) the measurement of diffusion in swollen polymers/penetrant mixtures within nano-confined aluminum oxide membranes. The NMR diffusion results obtained were encouraging and allowed for an improved understanding of diffusion and transport processes at the molecular level, while at the same time demonstrating that the spatial heterogeneity that can be resolved using HRMAS NMR PFG diffusion experiment must be larger than ~μm length scales, expect for polymer transport within nanoporous carbons where additional chemical resolution improves the resolvable heterogeneous length scale to hundreds of nm.

  11. Spectroscopic Studies of Molecular Systems relevant in Astrobiology

    Science.gov (United States)

    Fornaro, Teresa

    2016-01-01

    . The reliability of such theoretical results has been validated with respect to experiments, by performing infrared measurements of uracil in the solid state through the Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS) technique. The good performance in predicting the experimental shifts of the vibrational frequencies of uracil due to the intermolecular hydrogen bonds in the solid state with respect to uracil isolated in Argon matrix, has allowed also to provide some new assignments of the experimental spectrum of uracil in the solid state. Finally, the study of molecule-mineral interactions has been addressed, investigating experimentally the thermodynamics of the adsorption process of nucleic acid components on brucite, a serpentinite-hosted hydrothermal mineral, through determination of the equilibrium adsorption isotherms. Additionally, surface complexation studies have been carried out to get the stoichiometry of surface reactions and the associated electrical work. Such surface complexation modeling has provided reasonable inferences for the possible surface complexes, determining the number of inner/outer-sphere linkages for the adsorbates and the number of surface sites involved in the reaction stoichiometry. However, to distinguish the specific functional groups which constitute the points of attachment to the surface, further quantum mechanical simulations on the energetics of these complexes and spectroscopic characterizations are in progress.

  12. The 1997 spectroscopic GEISA databank.

    Science.gov (United States)

    Jacquinet-Husson, N.; Arie, E.; Ballard, J.; Barbe, A.; Bjoraker, G.; Bonnet, B.; Brown, L. R.; Camy-Peyret, C.; Champion, J. P.; Chedin, A.; Chursin, A.; Clerbaux, C.; Duxbury, G.; Flaud, J.-M.; Fourrie, N.; Fayt, A.; Graner, G.; Gamache, R.; Goldman, A.; Golovko, V.; Guelachvili, G.; Hartmann, J. M.; Hilico, J. C.; Hillman, J.; Lefevre, G.; Lellouch, E.; Mikhailenko, S. N.; Naumenko, O. V.; Nemtchinov, V.; Newnham, D. A.; Nikitin, A.; Orphal, J.; Perrin, A.; Reuter, D. C.; Rinsland, C. P.; Rosenmann, L.; Rothman, L. S.; Scott, N. A.; Selby, J.; Sinitsa, L. N.; Sirota, J. M.; Smith, A. M.; Smith, K. M.; Tyuterev, V. G.; Tipping, R. H.; Urban, S.; Varanasi, P.; Weber, M.

    1999-05-01

    The current version GEISA-97 of the computer-accessible database system GEISA (Gestion et Etude des Informations Spectroscopiques Atmospheriques: Management and Study of Atmospheric Spectroscopic Information) is described. This catalogue contains 1,346,266 entries. These are the spectroscopic parameters required to describe adequately the individual spectral lines belonging to 42 molecules (96 isotopic species) and located between 0 and 22656 cm-1. The featured molecules are of interest in studies of the terrestrial as well as the other planetary atmospheres, especially those of the giant planets. GEISA-97 contains also a catalog of absorption cross-sections of molecules such as chlorofluorocarbons which exhibit unresolvable spectra. The modifications and improvements made to the earlier edition (GEISA-92) and the data management software are described.

  13. Single nanoparticle tracking spectroscopic microscope

    Science.gov (United States)

    Yang, Haw [Moraga, CA; Cang, Hu [Berkeley, CA; Xu, Cangshan [Berkeley, CA; Wong, Chung M [San Gabriel, CA

    2011-07-19

    A system that can maintain and track the position of a single nanoparticle in three dimensions for a prolonged period has been disclosed. The system allows for continuously imaging the particle to observe any interactions it may have. The system also enables the acquisition of real-time sequential spectroscopic information from the particle. The apparatus holds great promise in performing single molecule spectroscopy and imaging on a non-stationary target.

  14. Spectroscopic and thermal characterization of bovine enamel and dentine using the photoacoustic effect; Caracterizacao espectroscopica e termica de esmalte e dentina bovinos utilizando o efeito fotoacustico

    Energy Technology Data Exchange (ETDEWEB)

    Stolf, Sandro Fernando

    2003-07-01

    The optical and thermal properties of dental tissues determine the nature and extent of the tissue response through the processes of absorption, transmission, reflection and scattering of the laser light and the heat produced by the absorption of that light. The spectroscopic characterization of bovine dentine and enamel, and the determination of the thermal diffusivity were the aim of this study. The photoacoustic spectra from these tissues were obtained in the Near-Infrared range 900 - 2500 nm, which is the clinical range for odontological application of most lasers. Photoacoustic spectra were taken from block, slices and powder of enamel and dentine. Also photoacoustic spectra were registered before and after 2, 5 and 10 h of topical fluoride (2.26%) application. Using the same technique spectra were taken from dentine and enamel after irradiation with Nd:YAG, Er:YAG, Ho:YLF and CO{sub 2}. It is evident from the results that the presence of O-H in the composition of hydroxyapatite and the water present in the teeth tissue make the obtention of spectrum from components other than O-H bond a very difficult task. In this way, only bands assigned to overtones and combinations of O-H stretch were observed. The thermal diffusivity of the bovine dentine was also measured using the photoacoustic technique. The thermal diffusivity is the physical quantity which measures the rate of heat diffusion throughout the sample. For higher values of the thermal diffusivity the heat diffusion and temperature rise will be faster. As there is many studies devoted to the processes of heat transfer throughout dental tissues using bovine teeth, it is important the determination of its thermal diffusivity. The measured value was found to be a = 2.0 ({+-}0.1).1O{sup -3} cm{sup 2}/s for the both direction, perpendicular and parallel to the dentinal tubules. These {sup a}lues indicate that there is no difference between the thermal diffusivities for the both directions. (author)

  15. Application of imaging spectroscopic reflectometry for characterization of gold reduction from organometallic compound by means of plasma jet technology

    Science.gov (United States)

    Vodák, Jiří; Nečas, David; Pavliňák, David; Macak, Jan M.; Řičica, Tomáš; Jambor, Roman; Ohlídal, Miloslav

    2017-02-01

    This work presents a new application of imaging spectroscopic reflectometry to determine a distribution of metallic gold in a layer of an organogold precursor which was treated by a plasma jet. Gold layers were prepared by spin coating from a solution of the precursor containing a small amount of polyvinylpyrrolidone on a microscopy glass, then they were vacuum dried. A difference between reflectivity of metallic gold and the precursor was utilized by imaging spectroscopic reflectometry to create a map of metallic gold distribution using a newly developed model of the studied sample. The basic principle of the imaging spectroscopic reflectometry is also shown together with the data acquisition principles. XPS measurements and microscopy observations were made to complete the imaging spectroscopic reflectometry results. It is proved that the imaging spectroscopic reflectometry represents a new method for quantitative evaluation of local reduction of metallic components from metaloorganic compounds.

  16. Reflectance Transfer for Material Editing and Relighting

    Directory of Open Access Journals (Sweden)

    Adrian Hilton

    2010-10-01

    Full Text Available We present a new approach to diffuse reflectance estimation for dynamic scenes. Non-parametric image statistics are used to transfer reflectance properties from a static example set to a dynamic image sequence. The approach allows diffuse reflectance estimation for surface materials with inhomogeneous appearance, such as those which commonly occur with patterned or textured clothing. Material editing is also possible by transferring edited reflectance properties. Material reflectance properties are initially estimated from static images of the subject under multiple directional illuminations using photometric stereo. The estimated reflectance together with the corresponding image under uniform ambient illumination form a prior set of reference material observations. Material reflectance properties are then estimated for video sequences of a moving person captured under uniform ambient illumination by matching the observed local image statistics to the reference observations. Results demonstrate that the transfer of reflectance properties enables estimation of the dynamic surface normals and subsequent relighting combined with material editing. This approach overcomes limitations of previous work on material transfer and relighting of dynamic scenes which was limited to surfaces with regions of homogeneous reflectance. We evaluate our approach for relighting 3D model sequences reconstructed from multiple view video. Comparison to previous model relighting demonstrates improved reproduction of detailed texture and shape dynamics.

  17. Data compilation diffusion in ferrous alloys

    CERN Document Server

    Fisher, David J

    2006-01-01

    This issue comprises an extensive body of selected data, on diffusion in iron-based materials, gleaned from research published in leading journals during the past 70 years. The materials covered range from the almost-pure metal, to high-alloy steels (including metallic glasses) and the data reflect the effect of special conditions (thin films, strain, etc.) upon bulk, surface and pipe diffusion.This publication will constitute an invaluable first port-of-call for anyone looking for a quick guide as to the extent of diffusion which is to be expected to occur during any research project or indus

  18. Interstellar medium, young stars, and astrometric binaries in Galactic archaeology spectroscopic surveys

    CERN Document Server

    Zwitter, Tomaž; Žerjal, Maruša; Traven, Gregor

    2015-01-01

    Current ongoing stellar spectroscopic surveys (RAVE, GALAH, Gaia-ESO, LAMOST, APOGEE, Gaia) are mostly devoted to studying Galactic archaeology and structure of the Galaxy. But they allow for important auxiliary science: (i) Galactic interstellar medium can be studied in four dimensions (position in space + radial velocity) through weak but numerous diffuse insterstellar bands and atomic absorptions seen in spectra of background stars, (ii) emission spectra which are quite frequent even in field stars can serve as a good indicator of their youth, pointing e.g. to stars recently ejected from young stellar environments, (iii) astrometric solution of the photocenter of a binary to be obtained by Gaia can yield accurate masses when joined by spectroscopic information obtained serendipitously during a survey. These points are illustrated by first results from the first three surveys mentioned above. These hint at the near future: spectroscopic studies of the dynamics of the interstellar medium can identify and qua...

  19. Entropy production of stationary diffusions on non-compact Riemannian manifolds

    Institute of Scientific and Technical Information of China (English)

    龚光鲁; 钱敏平

    1997-01-01

    The closed form of the entropy production of stationary diffusion processes with bounded Nelson’s current velocity is given.The limit of the entropy productions of a sequence of reflecting diffusions is also discussed.

  20. Spectroscopic properties of chlorophyll f.

    Science.gov (United States)

    Li, Yaqiong; Cai, Zheng-Li; Chen, Min

    2013-09-26

    The absorption and fluorescence spectra of chlorophyll f (newly discovered in 2010) have been measured in acetone and methanol at different temperatures. The spectral analysis and assignment are compared with the spectra of chlorophyll a and d under the same experimental conditions. The spectroscopic properties of these chlorophylls have further been studied by the aid of density functional CAM-B3LYP and high-level symmetric adapted coupled-cluster configuration interaction calculations. The main Q and Soret bands and possible sidebands of chlorophylls have been determined. The photophysical properties of chlorophyll f are discussed.

  1. Comparison of specularly reflecting mirrors for GRANIT

    Energy Technology Data Exchange (ETDEWEB)

    Nesvizhevsky, V.V. [Institute Laue-Langevin, 6 rue des Martyrs, Grenoble 38042 (France)]. E-mail: nesvizhevsky@ill.eu; Pignol, G. [LPSC, Universite Joseph Fourrier Grenoble 1, CNRS/IN2P3, Institut National Polytechnique de Grenoble (France); Protasov, K.V. [LPSC, Universite Joseph Fourrier Grenoble 1, CNRS/IN2P3, Institut National Polytechnique de Grenoble (France); Quemener, G. [LPSC, Universite Joseph Fourrier Grenoble 1, CNRS/IN2P3, Institut National Polytechnique de Grenoble (France); Forest, D. [LMA, Universite Claude Bernard Lyon 1, CNRS/IN2P3, Villeurbaune (France); Ganau, P. [LMA, Universite Claude Bernard Lyon 1, CNRS/IN2P3, Villeurbaune (France); Mackowski, J.M. [LMA, Universite Claude Bernard Lyon 1, CNRS/IN2P3, Villeurbaune (France); Michel, Ch. [LMA, Universite Claude Bernard Lyon 1, CNRS/IN2P3, Villeurbaune (France); Montorio, J.L. [LMA, Universite Claude Bernard Lyon 1, CNRS/IN2P3, Villeurbaune (France); Morgado, N. [LMA, Universite Claude Bernard Lyon 1, CNRS/IN2P3, Villeurbaune (France); Pinard, L. [LMA, Universite Claude Bernard Lyon 1, CNRS/IN2P3, Villeurbaune (France); Remillieux, A. [LMA, Universite Claude Bernard Lyon 1, CNRS/IN2P3, Villeurbaune (France)

    2007-08-01

    The specularity of ultracold neutron reflection was compared for different 'promising' surfaces, including sapphire, silica, silica with carbon (diamond-like), and copper coatings with very small roughness. The probability of total losses of ultracold neutrons (UCN) from a specular trajectory was dominated by diffusive (non-specular) elastic scattering of UCN. In all the cases considered the quality of reflection was sufficiently high for storage of UCN at specular trajectories for the first stage of GRANIT experiment.

  2. 近红外漫反射光谱法结合CP-ANN和PLS高通量分析草麻黄药材%High-throughput analysis of Ephedra sinica plants by NIR diffuse reflectance spectroscopy combined with CP-ANN and PLS

    Institute of Scientific and Technical Information of China (English)

    易珍奎; 范琦; 王丽琼; 王以武

    2012-01-01

    Objective:To establish a high -throughput method for the analysis of Ephedra sinica plants by near infrared diffuse reflectance spectroscopy combined with chemometric techniques. Methods; The near infrared diffuse reflectance spectra (NIRDRS) for Ephedra sinica plants were determined. Two types of models were built and validated after spectra processing and data pre - processing, including the counter - propagation artificial neural network ( CP -ANN) models for the discriminations of habitats and harvest times of Ephedra sinica plants and the partial least square (PLS) models for the determinations of ephedrine and pseudoephedrine. Results;The prediction accuracies of the CP -ANN models for the validation samples were 100. 0% for the habitats and 80. 0% for the harvest times. For the validation samples, the root mean square errors of prediction (RMSEPs) of the PLS models were 1. 12 and 0. 236,the correlation coefficients of the prediction and reference values 0. 9721 and 0. 9309,separately for e-phedrine and pseudoephedrine. Conclusions:The proposed approach could simultaneously identify habitats and harvest times of Ephedra sinica plants and determine ephedrine and pseudoephedrine in the plants.%目的:建立草麻黄药材的近红外漫反射光谱高通量分析方法.方法:测量草麻黄样品的近红外漫反射光谱(near infrared diffuse reflectance spectra,NIRDRS),应用化学计量学技术进行光谱处理和数据预处理,分别建立并验证草麻黄药材的产地和采摘时间判别对向传播人工神经网络(counter-propagation artificial neural network,CP-ANN)模型及麻黄碱和伪麻黄碱含量预测偏最小二乘(partial least square,PLS)模型.结果:草麻黄药材的产地和采摘时间判别CP-ANN模型的验证样品预测准确率分别为100.0%和80.0%;麻黄碱和伪麻黄碱含量预测PLS模型的验证样品预测均方根误差(root mean square errors of prediction,RMSEPs)小,分别为1.12和0.236,预测值

  3. Inhibition of urinary calculi -- a spectroscopic study

    Science.gov (United States)

    Manciu, Felicia; Govani, Jayesh; Durrer, William; Reza, Layra; Pinales, Luis

    2008-10-01

    Although a considerable number of investigations have already been undertaken and many causes such as life habits, metabolic disorders, and genetic factors have been noted as sources that accelerate calculi depositions and aggregations, there are still plenty of unanswered questions regarding efficient inhibition and treatment mechanisms. Thus, in an attempt to acquire more insights, we propose here a detailed scientific study of kidney stone formation and growth inhibition based on a traditional medicine approach with Rotula Aquatica Lour (RAL) herbal extracts. A simplified single diffusion gel growth technique was used for synthesizing the samples for the present study. The unexpected Zn presence in the sample with RAL inhibitor, as revealed by XPS measurements, explains the inhibition process and the dramatic reflectance of the incident light observed in the infrared transmission studies. Raman data demonstrate potential binding of the inhibitor with the oxygen of the kidney stone. Photoluminescence results corroborate to provide additional evidence of Zn-related inhibition.

  4. Optical Reflectance Measurements for Commonly Used Reflectors

    Science.gov (United States)

    Janecek, Martin; Moses, William W.

    2008-08-01

    When simulating light collection in scintillators, modeling the angular distribution of optical light reflectance from surfaces is very important. Since light reflectance is poorly understood, either purely specular or purely diffuse reflectance is generally assumed. In this paper we measure the optical reflectance distribution for eleven commonly used reflectors. A 440 nm, output power stabilized, un-polarized laser is shone onto a reflector at a fixed angle of incidence. The reflected light's angular distribution is measured by an array of silicon photodiodes. The photodiodes are movable to cover 2pi of solid angle. The light-induced current is, through a multiplexer, read out with a digital multimeter. A LabVIEW program controls the motion of the laser and the photodiode array, the multiplexer, and the data collection. The laser can be positioned at any angle with a position accuracy of 10 arc minutes. Each photodiode subtends 6.3deg, and the photodiode array can be positioned at any angle with up to 10 arc minute angular resolution. The dynamic range for the current measurements is 10 5:1. The measured light reflectance distribution was measured to be specular for several ESR films as well as for aluminum foil, mostly diffuse for polytetrafluoroethylene (PTFE) tape and titanium dioxide paint, and neither specular nor diffuse for Lumirrorreg, Melinexreg and Tyvekreg. Instead, a more complicated light distribution was measured for these three materials.

  5. Fluorescence spectroscopic studies of DNA dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Scalettar, B.A.

    1987-04-01

    Random solvent induced motions of DNA are manifest as nanosecond torsional oscillations of the helix backbone, nanosecond through millisecond bending deformations and overall rotational and translational diffusion of the polymer. Fluorescence spectroscopy is used to study this spectrum of DNA motions while ethidium monoazide was covalently bounded. The steady state fluorescence depolarization data indicate that the covalent monoazide/DNA complex exhibits internal motions characterized by an average angular amplitude of 26 degrees confirming reports of fast torsional oscillations in noncovalent ethidium bromide/DNA systems. Data obtained by use of a new polarized photobleaching recovery technique (FPR) reflect both the rotational dynamics of the polymer and the reversible photochemistry of the dye. To isolate the reorientational motion of the DNA, the FPR experiments were ran in two modes that differ only in the polarization of the bleaching light. A quotient function constructed from the data obtained in these two modes monitors only the rotational component of the FPR recovery. In specific applications those bending deformations of long DNA molecules that have characteristic relaxation times on the order of 100 microseconds have been resolved. A fluorescence correlation technique that relates fluctuations in particle number to center-of-mass motion was used to measure translational diffusion on coefficients of the plasmid PBR322 and a short oligomeric DNA. A theory that describes angular correlation in systems exhibiting cyclic, biologically directed reorientation and random Brownian rotation is developed.

  6. Specular neutron reflectivity and beyond

    Indian Academy of Sciences (India)

    Saibal Basu

    2008-10-01

    A polarized neutron reflectometer for vertical samples is available at Dhruva reactor guide hall, Trombay. The reflectometer has been designed for horizontal scattering vector. It uses a position-sensitive detector for obtaining the reflectivity pattern. This arrangement allows one to obtain diffuse or off-specular intensity around any specular peak at one go. We have used this instrument for studying the structure of various metal-metal and metal-semiconductor multilayers by specular reflectometry. We have also been successful in understanding interface morphology of several films through diffuse neutron reflectometry (DNR) on this reflectometer. Some of the recent results are presented in this paper to demonstrate the strength of these two techniques.

  7. Attenuated partial internal reflection infrared spectroscopy.

    Science.gov (United States)

    Zhang, Zhenfeng; Ewing, George E

    2002-06-01

    A new method for the spectroscopic study of absorbing films is proposed. In contrast to the well-established methods that take advantage of the attenuation of total internal reflection (ATR) to obtain spectra, we intentionally arrange the optics to permit partial internal reflection from the sampling prism face. Attenuated partial internal reflection (APR) spectroscopy is introduced through theoretical calculations and experimental demonstrations. The calculated APR spectra in the infrared region were generated from the Fresnel and Airy equations. Experimentally, APR spectra of water films on a NaCl prism were obtained. APR is more sensitive than ATR, and can easily distinguish water films at the monolayer level (310 pm). The determination of film thickness from interference fringes in APR spectra is also illustrated. It is shown that APR can be used for film thickness measurements that can span 6 orders of magnitude. The limitations of APR are also discussed.

  8. The TNG EROs Spectroscopic Identification Survey (TESIS)

    CERN Document Server

    Saracco, P; Ceca, R D; Severgnini, P; Braito, V; Bender, R; Drory, N; Feulner, G; Hopp, U; Mannucci, F; Maraston, C

    2003-01-01

    We are carrying on a near-IR very low resolution spectroscopic follow-up in parallel with XMM-Newton observations of a complete sample of ~30 bright (K'<18.5) Extremely Red Objects (EROs) selected over an area of 360 arcmin^2 of the MUNICS survey. We here present the preliminary results of the spectroscopic and X-ray data analysis.

  9. Raman Spectroscopic Studies of Methane Gas Hydrates

    DEFF Research Database (Denmark)

    Hansen, Susanne Brunsgaard; Berg, Rolf W.

    2009-01-01

    A brief review of the Raman spectroscopic studies of methane gas hydrates is given, supported by some new measurements done in our laboratory.......A brief review of the Raman spectroscopic studies of methane gas hydrates is given, supported by some new measurements done in our laboratory....

  10. Sensitivity improvement of one-shot Fourier spectroscopic imager for realization of noninvasive blood glucose sensors in smartphones

    Science.gov (United States)

    Kawashima, Natsumi; Nogo, Kosuke; Hosono, Satsuki; Nishiyama, Akira; Wada, Kenji; Ishimaru, Ichiro

    2016-11-01

    The use of the wide-field-stop and beam-expansion method for sensitivity enhancement of one-shot Fourier spectroscopy is proposed to realize health care sensors installed in smartphones for daily monitoring. When measuring the spectral components of human bodies noninvasively, diffuse reflected light from biological membranes is too weak for detection using conventional hyperspectral cameras. One-shot Fourier spectroscopy is a spatial phase-shift-type interferometer that can determine the one-dimensional spectral characteristics from a single frame. However, this method has low sensitivity, so that only the spectral characteristics of light sources with direct illumination can be obtained, because a single slit is used as a field stop. The sensitivity of the proposed spectroscopic method is improved by using the wide-field-stop and beam-expansion method. The use of a wider field stop slit width increases the detected light intensity; however, this simultaneously narrows the diffraction angle. The narrower collimated objective beam diameter degrades the visibility of interferograms. Therefore, a plane-concave cylindrical lens between the objective plane and the single slit is introduced to expand the beam diameter. The resulting sensitivity improvement achieved when using the wide-field-stop and beam-expansion method allows the spectral characteristics of hemoglobin to be obtained noninvasively from a human palm using a midget lamp.

  11. High resolution spectroscopic mapping imaging applied in situ to multilayer structures for stratigraphic identification of painted art objects

    Science.gov (United States)

    Karagiannis, Georgios Th.

    2016-04-01

    The development of non-destructive techniques is a reality in the field of conservation science. These techniques are usually not so accurate, as the analytical micro-sampling techniques, however, the proper development of soft-computing techniques can improve their accuracy. In this work, we propose a real-time fast acquisition spectroscopic mapping imaging system that operates from the ultraviolet to mid infrared (UV/Vis/nIR/mIR) area of the electromagnetic spectrum and it is supported by a set of soft-computing methods to identify the materials that exist in a stratigraphic structure of paint layers. Particularly, the system acquires spectra in diffuse-reflectance mode, scanning in a Region-Of-Interest (ROI), and having wavelength range from 200 up to 5000 nm. Also, a fuzzy c-means clustering algorithm, i.e., the particular soft-computing algorithm, produces the mapping images. The evaluation of the method was tested on a byzantine painted icon.

  12. Remote Spectroscopic Identification of Bloodstains

    NARCIS (Netherlands)

    R.H. Bremmer; G. Edelman; T. Dijn Vegter; T. Bijvoets; M.C.G. Aalders

    2011-01-01

    Blood detection and identification at crime scenes are crucial for harvesting forensic evidence. Unfortunately, most tests for the identification of blood are destructive and time consuming. We present a fast and nondestructive identification test for blood, using noncontact reflectance spectroscopy

  13. Stock market stability: Diffusion entropy analysis

    Science.gov (United States)

    Li, Shouwei; Zhuang, Yangyang; He, Jianmin

    2016-05-01

    In this article, we propose a method to analyze the stock market stability based on diffusion entropy, and conduct an empirical analysis of Dow Jones Industrial Average. Empirical results show that this method can reflect the volatility and extreme cases of the stock market.

  14. Characterization of porcine skin as a model for human skin studies using infrared spectroscopic imaging.

    Science.gov (United States)

    Kong, Rong; Bhargava, Rohit

    2011-06-07

    Porcine skin is often considered a substitute for human skin based on morphological and functional data, for example, for transdermal drug diffusion studies. A chemical, structural and temporal characterization of porcine skin in comparison to human skin is not available but will likely improve our understanding of this porcine skin model. Here, we employ Fourier transform infrared (FT-IR) spectroscopic imaging to holistically measure chemical species as well as spatial structure as a function of time to characterize porcine skin as a model for human skin. Porcine skin was found to resemble human skin spectroscopically and differences are elucidated. Cryo-prepared fresh porcine skin samples for spectroscopic imaging were found to be stable over time and small variations are observed. Hence, we extended characterization to the use of this model for dynamic processes. In particular, the capacity and stability of this model in transdermal diffusion is examined. The results indicate that porcine skin is likely to be an attractive tool for studying diffusion dynamics of materials in human skin.

  15. Diffusion on spatial network

    Science.gov (United States)

    Hui, Zi; Tang, Xiaoyue; Li, Wei; Greneche, Jean-Marc; Wang, Qiuping A.

    2015-04-01

    In this work, we study the problem of diffusing a product (idea, opinion, disease etc.) among agents on spatial network. The network is constructed by random addition of nodes on the planar. The probability for a previous node to be connected to the new one is inversely proportional to their spatial distance to the power of α. The diffusion rate between two connected nodes is inversely proportional to their spatial distance to the power of β as well. Inspired from the Fick's first law, we introduce the diffusion coefficient to measure the diffusion ability of the spatial network. Using both theoretical analysis and Monte Carlo simulation, we get the fact that the diffusion coefficient always decreases with the increasing of parameter α and β, and the diffusion sub-coefficient follows the power-law of the spatial distance with exponent equals to -α-β+2. Since both short-range diffusion and long-range diffusion exist, we use anomalous diffusion method in diffusion process. We get the fact that the slope index δ in anomalous diffusion is always smaller that 1. The diffusion process in our model is sub-diffusion.

  16. Measurement of diffuse and specular reflections through single cell layers

    CSIR Research Space (South Africa)

    Karsten, AE

    2006-07-01

    Full Text Available .csir.co.za Background • Biophotonics – new in SA • Group at NLC aims to: • Address health problems through research using lasers and other light sources • Stimulate the use of lasers in health related research • Focus on Cancer and Diabetes • Cancer (1993 – 1995...) • On average 50 000 new cases/year • LR at least • Male: 1 in 6 • Female: 1 in 7 Slide 4 © CSIR 2006 www.csir.co.za Background • Diabetes • High prevalence in SA • Not a notifiable disease • Indian: Av. 17% (11% - 30%) • Black...

  17. In Vivo Phenotyping of Tumor Metabolism in a Canine Cancer Patient with Simultaneous (18)F-FDG-PET and Hyperpolarized (13)C-Pyruvate Magnetic Resonance Spectroscopic Imaging (hyperPET): Mismatch Demonstrates that FDG may not Always Reflect the Warburg Effect

    DEFF Research Database (Denmark)

    Gutte, Henrik; Hansen, Adam E; Larsen, Majbrit M E

    2015-01-01

    In this communication the mismatch between simultaneous (18)F-FDG-PET and a (13)C-lactate imaging (hyperPET) in a biopsy verified squamous cell carcinoma in the right tonsil of a canine cancer patient is shown. The results demonstrate that (18)F-FDG-PET may not always reflect the Warburg effect...

  18. Spectroscopic signatures of quantum friction

    Science.gov (United States)

    Klatt, Juliane; Bennett, Robert; Buhmann, Stefan Yoshi

    2016-12-01

    We present a formula for the spectroscopically accessible level shifts and decay rates of an atom moving at an arbitrary angle relative to a surface. Our Markov formulation leads to an intuitive analytic description whereby the shifts and rates are obtained from the coefficients of the Heisenberg equation of motion for the atomic flip operators but with complex Doppler-shifted (velocity-dependent) transition frequencies. Our results conclusively demonstrate that for the limiting case of parallel motion the shifts and rates are quadratic or higher in the atomic velocity. We show that a stronger, linear velocity dependence is exhibited by the rates and shifts for perpendicular motion, thus opening the prospect of experimentally probing the Markovian approach to the phenomenon of quantum friction.

  19. Sick, the spectroscopic inference crank

    CERN Document Server

    Casey, Andrew R

    2016-01-01

    There exists an inordinate amount of spectral data in both public and private astronomical archives which remain severely under-utilised. The lack of reliable open-source tools for analysing large volumes of spectra contributes to this situation, which is poised to worsen as large surveys successively release orders of magnitude more spectra. In this Article I introduce sick, the spectroscopic inference crank, a flexible and fast Bayesian tool for inferring astrophysical parameters from spectra. sick can be used to provide a nearest-neighbour estimate of model parameters, a numerically optimised point estimate, or full Markov Chain Monte Carlo sampling of the posterior probability distributions. This generality empowers any astronomer to capitalise on the plethora of published synthetic and observed spectra, and make precise inferences for a host of astrophysical (and nuisance) quantities. Model intensities can be reliably approximated from existing grids of synthetic or observed spectra using linear multi-di...

  20. Determination of oxygen diffusion kinetics during thin film ruthenium oxidation

    NARCIS (Netherlands)

    Coloma Ribera, R.; van de Kruijs, Robbert Wilhelmus Elisabeth; Yakshin, Andrey; Bijkerk, Frederik

    2015-01-01

    In situ X-ray reflectivity was used to reveal oxygen diffusion kinetics for thermal oxidation of polycrystalline ruthenium thin films and accurate determination of activation energies for this process. Diffusion rates in nanometer thin RuO2 films were found to show Arrhenius behaviour. However, a

  1. A Student Diffusion Activity

    Science.gov (United States)

    Kutzner, Mickey; Pearson, Bryan

    2017-01-01

    Diffusion is a truly interdisciplinary topic bridging all areas of STEM education. When biomolecules are not being moved through the body by fluid flow through the circulatory system or by molecular motors, diffusion is the primary mode of transport over short distances. The direction of the diffusive flow of particles is from high concentration…

  2. Acoustic diffusers III

    Science.gov (United States)

    Bidondo, Alejandro

    2002-11-01

    This acoustic diffusion research presents a pragmatic view, based more on effects than causes and 15 very useful in the project advance control process, where the sound field's diffusion coefficient, sound field diffusivity (SFD), for its evaluation. Further research suggestions are presented to obtain an octave frequency resolution of the SFD for precise design or acoustical corrections.

  3. A Student Diffusion Activity

    Science.gov (United States)

    Kutzner, Mickey; Pearson, Bryan

    2017-02-01

    Diffusion is a truly interdisciplinary topic bridging all areas of STEM education. When biomolecules are not being moved through the body by fluid flow through the circulatory system or by molecular motors, diffusion is the primary mode of transport over short distances. The direction of the diffusive flow of particles is from high concentration toward low concentration.

  4. Reflectance spectra of Titan tholin between 7000 and 10 cm-1. Interpretation of Cassini/CIRS observation of Saturn's satellite Phoebe

    Science.gov (United States)

    Brucato, J. R.; Migliorini, A.; Barucci, M. A.; Carvano, J. M.; Dotto, E.; Mennella, V.

    2010-06-01

    Context. Laboratory experiments provide a great support to astronomical studies in that they are the most suited technique to reproduce, model and interpret the observational data. Aims: We investigate the spectroscopic properties of particulate and flat slab of tholin samples in a wide MIR and FIR spectral range at cryogenic temperature to contribute to the interpretation of the observation of Saturn satellite Phoebe obtained with the Cassini CIRS instrument. Methods: Reflectance spectra of Titan tholin were obtained in the 7000-10 cm-1 spectral region by a Fourier transform spectrometer operating in vacuum. Several optical setups were used to cover this wide spectral range. Specular and diffuse reflectance spectra were obtained. A cryostat was interfaced to the spectrometer for reflectance measurements at low temperatures. It was cooled by a continuum flux of cryogenic fluid from about 300 to 72 K. Results: It is shown that powder and slab tholin have a different reflectance that depends on geometrical factors and wavelength ranges. The emissivity of Phoebe is reproduced by flat slab tholin covered by a thin layer of water ice. Conclusions: A considerable amount of compact smooth millimeter-size carbonaceous compounds are present on the Phoebe satellite covered with water ice and tholin regolith. This confirms a surface highly processed by small object impacts and a peculiar nature of Phoebe with respect to other Saturn satellites. It could be a primitive Kuiper belt object captured by Saturn that contains an high amount of HCN-like polymers active in prebiotic chemistry.

  5. Modulation of diffusion with polarized lasers

    Science.gov (United States)

    Chen, Sen-Yong; Benafan, Othmane; Vaidyanathan, Raj; Kar, Aravinda

    2014-08-01

    Laser diffusion is generally used to modify the metallurgical composition at the surface of materials for improving the mechanical properties. Platinum has been diffused into titanium and tantalum sheets in this study, and the concentrations of Pt in the substrates are determined. The concentration of Pt is higher at lower scanning speeds due to higher surface temperature and longer diffusion time than in the case of higher scanning speeds. Additionally, the samples treated with a linearly polarized laser beam exhibit slightly higher concentration of Pt. The enhanced diffusion in the case of linearly polarized laser treatment can be attributed to controlled excitation of the local vibration modes of the atoms in the substrate. The reflectivity of the samples are also measured at the wavelength of 1,064 nm and compared with theoretical results.

  6. Spectroscopic properties of $Pr^{3+}$-doped erbiumoxalate crystals

    Indian Academy of Sciences (India)

    R Pragash; N V Unnikrishnan; C Sudarsanakumar

    2011-12-01

    Spectroscopic properties of praseodymium ions-doped erbium oxalate ($Er_2(C_2O_4)_3 \\cdot nH_2O$) crystals have been investigated. The crystals were grown by hydro silica gel method under suitable pH conditions and by single diffusion method. The well-grown crystals are bright and transparent. The dark green colour of these crystals changes with the variation of the concentrations of the dopant ions. The absorption spectra have been measured in the region 200–800 nm at room temperature. Judd–Ofelt intensity parameters for f–f transitions of the $Pr^{3+}$ ions have been determined as 2 = 166.7, 4 = 1.103 and 6 = 2.898. Analyses of the absorption spectra also show a possible energy transfer from the host material to the dopant.

  7. Theoretical model and quantification of reflectance photometer

    Institute of Scientific and Technical Information of China (English)

    Lihua Huang; Youbao Zhang; Chengke Xie; Jianfeng Qu; Huijie Huang; Xiangzhao Wang

    2009-01-01

    @@ The surface morphology of lateral flow (LF) strip is examined by scanning electron microscope (SEM) and the diffuse reflection of porous strip with or without nanogold particles is investigated.Based on the scattering and absorption of nanogold particles, a reflectance photometer is developed for quantification of LF strip with nanogold particles as reporter.The integration of reflection optical density is to indicate the signals of test line and control line.As an example, serial dilutions of microalbunminuria (MAU) solution are used to calibrate the performance of the reflectance photometer.The dose response curve is fitted with a four-parameter logistic mathematical model for the determination of an unknown MAU concentration.The response curve spans a dynamic range of 5 to 200 μg/ml.The developed reflectance photometer can realize simple and quantitative detection of analyte on nanogold-labeled LF strip.

  8. Spectroscopically Enhanced Method and System for Multi-Factor Biometric Authentication

    Science.gov (United States)

    Pishva, Davar

    This paper proposes a spectroscopic method and system for preventing spoofing of biometric authentication. One of its focus is to enhance biometrics authentication with a spectroscopic method in a multifactor manner such that a person's unique ‘spectral signatures’ or ‘spectral factors’ are recorded and compared in addition to a non-spectroscopic biometric signature to reduce the likelihood of imposter getting authenticated. By using the ‘spectral factors’ extracted from reflectance spectra of real fingers and employing cluster analysis, it shows how the authentic fingerprint image presented by a real finger can be distinguished from an authentic fingerprint image embossed on an artificial finger, or molded on a fingertip cover worn by an imposter. This paper also shows how to augment two widely used biometrics systems (fingerprint and iris recognition devices) with spectral biometrics capabilities in a practical manner and without creating much overhead or inconveniencing their users.

  9. Reflectable bases for affine reflection systems

    CERN Document Server

    Azam, Saeid; Yousofzadeh, Malihe

    2011-01-01

    The notion of a "root base" together with its geometry plays a crucial role in the theory of finite and affine Lie theory. However, it is known that such a notion does not exist for the recent generalizations of finite and affine root systems such as extended affine root systems and affine reflection systems. As an alternative, we introduce the notion of a "reflectable base", a minimal subset $\\Pi$ of roots such that the non-isotropic part of the root system can be recovered by reflecting roots of $\\Pi$ relative to the hyperplanes determined by $\\Pi$. We give a full characterization of reflectable bases for tame irreducible affine reflection systems of reduced types, excluding types $E_{6,7,8}$. As a byproduct of our results, we show that if the root system under consideration is locally finite then any reflectable base is an integral base.

  10. Diffusion Weighted and Trace Images

    Directory of Open Access Journals (Sweden)

    Helen Nayeri

    2009-01-01

    Full Text Available   "nThe signal intensity in MRI depends on the proton density, T1, T2, and T2* relaxation processes of any ensemble of the spins within each imaging element. Another important contrast mechanism in MRI is signal loss caused by proton dephasing in the presence of coherent and incoherent flow. Diffusion refers to the dispersion of molecules from a region of high concentration to one of low concentration by random molecular or “Brownian” motion. "nDWI is based on the microscopic movement (Brownian motion of water molecules. The motion of water molecules, under the influence of diffusion-sensitizing gradient pulses, causes irreversible signal attenuation (hypointensity on DWI. In restricted diffusion (like acute infarction the signal attenuation is decreased (hyperintensity on DWI. "nIn biological tissues, water diffusion is not truly random. Structural barriers such as membranes and cellular elements, as well as chemical interactions, restrict Brownian motion in 3-D space. Additionally, disturbances associated with tissue perfusion and respiration can alter the biological environment. So it is termed “apparent” because the measured value does not indicate pure diffusion, but reflects capillary perfusion and other processes.  ADC (Apparent Diffusion Coefficient maps are typically created by combining at least two DWIs that are differently sensitized to diffusion (different b-values but which remain identical with respect to the other imaging parameters (TR and TE. Diffusion-weighted images are a combination of diffusion information and T2 signal intensity. In order to avoid the hyperintensity effect of T2 signal intensity (T2 shine-through, DW images should be compared with ADC images. ADC maps demonstrate contrast based purely on diffusion differences.   "nThe apparent diffusion in tissue is slowed if the protons are “hindered” or slowed in their random motion by the presence of cell membranes, walls, and macromolecules but are not

  11. A spectral directional reflectance model of row crops

    NARCIS (Netherlands)

    Zhao, F.J.; Gu, X.F.; Verhoef, W.; Wang, Q.; Yu, T.; Liu, Q.; Huang, H.A.; Qin, W.; Chen, Liangfu; Zhao, H.

    2010-01-01

    A computationally efficient reflectance model for row planted canopies is developed in this paper through separating the contributions of incident direct and diffuse radiation scattered by row canopies. The row model allows calculating the reflectance spectrum in any given direction for the optical

  12. A spectral directional reflectance model of row crops

    NARCIS (Netherlands)

    Zhao, F.J.; Gu, X.F.; Verhoef, W.; Wang, Q.; Yu, T.; Liu, Q.; Huang, H.A.; Qin, W.; Chen, Liangfu; Zhao, H.

    2010-01-01

    A computationally efficient reflectance model for row planted canopies is developed in this paper through separating the contributions of incident direct and diffuse radiation scattered by row canopies. The row model allows calculating the reflectance spectrum in any given direction for the optical

  13. Determination of Loureirin B, Loureirin A in China Domestic Resina Draconis Using Near Infrared Diffuse Reflectance Spectroscopy%应用近红外光谱定量分析模型测定国产血竭中龙血素A、龙血素B含量

    Institute of Scientific and Technical Information of China (English)

    刘杰; 杨瑶珺; 王文祎; 吕晓娜; 李梦; 戴待

    2015-01-01

    目的:用近红外光谱技术快速测定国产血竭中龙血素A、龙血素B含量。方法根据国产血竭在5284~4169.34 cm-1、7131.47~5943.53 cm-1、8913.37~7470.88 cm-1内的近红外吸收光谱,采用偏最小二乘法(PLS)建立了校正模型。采用二阶导数预处理方法时能最有效地提取光谱的信息。结果龙血素A的校正集相关系数为0.9749,校正集标准偏差(RMSEC)为0.1720,预测集相关系数为0.9857,预测集标准偏差(RMSEP)为0.1450;龙血素B校正集相关系数为0.9933,校正集标准偏差(RMSEC)为0.0526,预测集相关系数为0.9872,预测集标准偏差(RMSEP)为0.0604。结论近红外光谱技术快速简便,适合中药指标成分的快速分析。%Objective To develop a method for the determination of loureirin A and loureirin B in China domestic Resina Draconis using near infrared diffuse reflectance spectroscopy. Methods Near infrared spectra(NIR) in the range of 5284~4169.34 cm-1, 7131.47~5943.53 cm-1, 8913.37~7470.88 cm-1 were recorded for Resina Draconis. Calibration model was established using the partial least squares(PLS)method. Spectra pretreatments were extracted by second-order derivate pretreatment method. Results For loureirin A, the correlation coefficient(r2)of calibration set was 0.9749 with RMSEC being 0.1720 and the correlation coefficient(r2)of prediction sets was 0.9857 with RMSEP being 0.1450. For loureirin B,the correlation coefficient(r2)of calibration set was 0.9933 with the root square standard error of calibration (RMSEC)being 0.0526,and the correlation coefficient(r2)of prediction sets was 0.9872 with the root square standard error of prediction being 0.0604. Conclusion It is indicated that near infrared diffuse reflectance spectroscopy can be used to rapidly analyze the valid components in Chinese herbs.

  14. 磨盘柿褐变指标的可见/近红外漫反射无损预测研究%Research on Nondestructive Measurement of Browning Indexes of Mopan Persimmon Using Visible and Near Infrared Diffuse Reflection Spectroscopy

    Institute of Scientific and Technical Information of China (English)

    张鹏; 李江阔; 陈绍慧; 冯晓元; 王宝刚; 周志江

    2012-01-01

    为了建立可见/近红外漫反射光谱与磨盘柿果皮和果肉褐变之间的关系,作者在全光谱区域(570~1 848 nm)对比分析了不同处理方法对磨盘柿果皮颜色b*和果肉浊度定标模型的影响.结果表明,应用MPLS、原始光谱和无散射处理建立果皮颜色b *的定标模型预测性能较好,Rp2为0.968,RMSEP为1.417 7,RPD为7.92.应用PLS、一阶导处理和无散射处理建立磨盘柿果肉浊度的定标模型预测性能较好,Rp2为0.757,RMSEP为0.107 9,RPD为2.22.因此,可见/近红外漫反射技术对磨盘柿果皮颜色b*和果肉浊度的快速无损检测具有可行性.%In order to establish the relationships of the visible and near infrared diffuse reflection (VIS/NIR) spectroscopy and peel browning and flesh browning of Mopan persimmon, calibration results for peel color b* and flesh turbidity of Mopan persimmon were compared with different treatment methods in the whole spectral region between 570 and 1 848 nm. The results showed that the modified partial least squares (MPLS) model,with respect to original spectra and None treatment, provided better prediction performance for peel color In order to establish the relationships of the visible and near infrared diffuse reflection (VIS/NIR) spectroscopy and peel browning and flesh browning of Mopan persimmon,calibration results for peel color b* and flesh turbidity of Mopan persimmon were compared with different treatment methods in the whole spectral region between 570 and 1 848 nm. The results showed that the modified partial least squares (MPLS) model,with respect to original spectra and None treatment,provided better prediction performance for peel color b* of persimmon,with correlation coefficient of prediction (Rp2) and the root mean square error of prediction(RMSEP),ratio performance deviation(RPD) of 0.968,1.417 7, and 7.92 respectively. And the partial least squares (PLS) model,with respect to the first derivative D1 log (1/R) and None treatment

  15. MDM OSMOS Spectroscopic classification of Supernovae

    Science.gov (United States)

    Bose, Subhash; Dong, Subo; Chen, Ping; Klusmeyer, J.; Prieto, Jose Luis; Shappee, B.; Shields, J.; Brown, J.; Stanek, K. Z.; Kochanek, C.

    2016-11-01

    We report optical spectroscopic classification of supernova candidates 2016hgd (ATel #9651), 2016hli (ATel #9685), CSS161013:015319+171853 and CSS161013:020130+141534 (http://nesssi.cacr.caltech.edu/catalina/AllSN.html).

  16. Vibrational spectroscopic characterization of fluoroquinolones

    Science.gov (United States)

    Neugebauer, U.; Szeghalmi, A.; Schmitt, M.; Kiefer, W.; Popp, J.; Holzgrabe, U.

    2005-05-01

    Quinolones are important gyrase inhibitors. Even though they are used as active agents in many antibiotics, the detailed mechanism of action on a molecular level is so far not known. It is of greatest interest to shed light on this drug-target interaction to provide useful information in the fight against growing resistances and obtain new insights for the development of new powerful drugs. To reach this goal, on a first step it is essential to understand the structural characteristics of the drugs and the effects that are caused by the environment in detail. In this work we report on Raman spectroscopical investigations of a variety of gyrase inhibitors (nalidixic acid, oxolinic acid, cinoxacin, flumequine, norfloxacin, ciprofloxacin, lomefloxacin, ofloxacin, enoxacin, sarafloxacin and moxifloxacin) by means of micro-Raman spectroscopy excited with various excitation wavelengths, both in the off-resonance region (532, 633, 830 and 1064 nm) and in the resonance region (resonance Raman spectroscopy at 244, 257 and 275 nm). Furthermore DFT calculations were performed to assign the vibrational modes, as well as for an identification of intramolecular hydrogen bonding motifs. The effect of small changes in the drug environment was studied by adding successively small amounts of water until physiological low concentrations of the drugs in aqueous solution were obtained. At these low concentrations resonance Raman spectroscopy proved to be a useful and sensitive technique. Supplementary information was obtained from IR and UV/vis spectroscopy.

  17. Spectroscopic studies of copper enzymes

    Energy Technology Data Exchange (ETDEWEB)

    Dooley, D.M.; Moog, R.; Zumft, W.; Koenig, S.H.; Scott, R.A.; Cote, C.E.; McGuirl, M.

    1986-05-01

    Several spectroscopic methods, including absorption, circular dichroism (CD), magnetic CD (MCD), X-ray absorption, resonance Raman, EPR, NMR, and quasi-elastic light-scattering spectroscopy, have been used to probe the structures of copper-containing amine oxidases, nitrite reductase, and nitrous oxide reductase. The basic goals are to determine the copper site structure, electronic properties, and to generate structure-reactivity correlations. Collectively, the results on the amine oxidases permit a detailed model for the Cu(II) sites in these enzymes to be constructed that, in turn, rationalizes the ligand-binding chemistry. Resonance Raman spectra of the phenylhydrazine and 2,4-dinitrophenyl-hydrazine derivatives of bovine plasma amine oxidase and models for its organic cofactor, e.g. pyridoxal, methoxatin, are most consistent with methoxatin being the intrinsic cofactor. The structure of the Cu(I) forms of the amine oxidases have been investigated by X-ray absorption spectroscopy (XAS); the copper coordination geometry is significantly different in the oxidized and reduced forms. Some anomalous properties of the amine oxidases in solution are explicable in terms of their reversible aggregation, which the authors have characterized via light scattering. Nitrite and nitrous oxide reductases display several novel spectral properties. The data suggest that new types of copper sites are present.

  18. SDSS spectroscopic survey of stars

    CERN Document Server

    Ivezic, Z; Uomoto, A; Bond, N; Beers, T; Allende-Prieto, C; Wilhelm, R; Lee, Y S; Sivarani, T; Juric, M; Lupton, R; Rockosi, C M; Knapp, G; Gunn, J; Yanny, B; Jester, S; Kent, S; Pier, J; Munn, J A; Richards, G; Newberg, H; Blanton, M; Eisenstein, D; Hawley, S; Anderson, S; Harris, H; Kiuchi, F; Chen, A; Bushong, J; Sohi, H; Haggard, D; Kimball, A; Barentine, J; Brewington, H; Harvanek, M; Kleinman, S; Krzesínski, J; Long, D; Nitta, A; Snedden, S A

    2007-01-01

    In addition to optical photometry of unprecedented quality, the Sloan Digital Sky Survey (SDSS) is also producing a massive spectroscopic database. We discuss determination of stellar parameters, such as effective temperature, gravity and metallicity from SDSS spectra, describe correlations between kinematics and metallicity, and study their variation as a function of the position in the Galaxy. We show that stellar parameter estimates by Beers et al. show a good correlation with the position of a star in the g-r vs. u-g color-color diagram, thereby demonstrating their robustness as well as a potential for photometric parameter estimation methods. Using Beers et al. parameters, we find that the metallicity distribution of the Milky Way stars at a few kpc from the galactic plane is bimodal with a local minimum at [Z/Zo]~ -1.3. The median metallicity for the low-metallicity [Z/Zo] -1.3 sample. We also find that the low-metallicity sample has ~2.5 times larger velocity dispersion and that it does not rotate (at ...

  19. Asiago spectroscopic classification of transients

    Science.gov (United States)

    Tomasella, L.; Benetti, S.; Cappellaro, E.

    2017-08-01

    The Asiago Transient Classification Program (Tomasella et al. 2014, AN, 335, 841) reports the spectroscopic classification of SN 2017giq, discovered by Zhijian Xu et al. in SDSS J235754.69+283007.1, and the observations of AT 2017ghp and AT 2017gio discovered by Torny et al (ATLAS) The observation was performed with the Asiago 1.82 m Copernico Telescope equipped with AFOSC (range 340-820 nm; resolution 1.4 nm). Survey Name | IAU Name | Discovery date (UT) | Discovery mag | Observation (UT) | Type | z | Notes| PTSS-17vkg | SN 2017giq | 2017-08-27 15:15:18 | 18.8 |2017-08-29 22:09:09 | SN Ic | 0.029813| (1) | ATLAS17juy | AT 2017ghp | 2017-08-23 14:00:57 | 17.53 |2017-08-29 23:49:52 | ? | ? | (2) | (1) The spectrum is consistent with that of Type Ic SN events around maximum light, at a redshift 0.0298, according to the redshift of the host galaxy SDSS J235754.69+283007.1 (Sloan Digital Sky Survey Data Release 13 as obtained Jan. 31, 2017 from http://www.sdss.org/dr13/data_access/bulk/); (2) Featureless, blue continuum.

  20. Automated pipelines for spectroscopic analysis

    Science.gov (United States)

    Allende Prieto, C.

    2016-09-01

    The Gaia mission will have a profound impact on our understanding of the structure and dynamics of the Milky Way. Gaia is providing an exhaustive census of stellar parallaxes, proper motions, positions, colors and radial velocities, but also leaves some glaring holes in an otherwise complete data set. The radial velocities measured with the on-board high-resolution spectrograph will only reach some 10 % of the full sample of stars with astrometry and photometry from the mission, and detailed chemical information will be obtained for less than 1 %. Teams all over the world are organizing large-scale projects to provide complementary radial velocities and chemistry, since this can now be done very efficiently from the ground thanks to large and mid-size telescopes with a wide field-of-view and multi-object spectrographs. As a result, automated data processing is taking an ever increasing relevance, and the concept is applying to many more areas, from targeting to analysis. In this paper, I provide a quick overview of recent, ongoing, and upcoming spectroscopic surveys, and the strategies adopted in their automated analysis pipelines.