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Sample records for correlation spectroscopy analysis

  1. Principal Component Analysis Based Two-Dimensional (PCA-2D) Correlation Spectroscopy: PCA Denoising for 2D Correlation Spectroscopy

    International Nuclear Information System (INIS)

    Jung, Young Mee

    2003-01-01

    Principal component analysis based two-dimensional (PCA-2D) correlation analysis is applied to FTIR spectra of polystyrene/methyl ethyl ketone/toluene solution mixture during the solvent evaporation. Substantial amount of artificial noise were added to the experimental data to demonstrate the practical noise-suppressing benefit of PCA-2D technique. 2D correlation analysis of the reconstructed data matrix from PCA loading vectors and scores successfully extracted only the most important features of synchronicity and asynchronicity without interference from noise or insignificant minor components. 2D correlation spectra constructed with only one principal component yield strictly synchronous response with no discernible a asynchronous features, while those involving at least two or more principal components generated meaningful asynchronous 2D correlation spectra. Deliberate manipulation of the rank of the reconstructed data matrix, by choosing the appropriate number and type of PCs, yields potentially more refined 2D correlation spectra

  2. Variable angle correlation spectroscopy

    International Nuclear Information System (INIS)

    Lee, Y.K.; Lawrence Berkeley Lab., CA

    1994-05-01

    In this dissertation, a novel nuclear magnetic resonance (NMR) technique, variable angle correlation spectroscopy (VACSY) is described and demonstrated with 13 C nuclei in rapidly rotating samples. These experiments focus on one of the basic problems in solid state NMR: how to extract the wealth of information contained in the anisotropic component of the NMR signal while still maintaining spectral resolution. Analysis of the anisotropic spectral patterns from poly-crystalline systems reveal information concerning molecular structure and dynamics, yet in all but the simplest of systems, the overlap of spectral patterns from chemically distinct sites renders the spectral analysis difficult if not impossible. One solution to this problem is to perform multi-dimensional experiments where the high-resolution, isotropic spectrum in one dimension is correlated with the anisotropic spectral patterns in the other dimensions. The VACSY technique incorporates the angle between the spinner axis and the static magnetic field as an experimental parameter that may be incremented during the course of the experiment to help correlate the isotropic and anisotropic components of the spectrum. The two-dimensional version of the VACSY experiments is used to extract the chemical shift anisotropy tensor values from multi-site organic molecules, study molecular dynamics in the intermediate time regime, and to examine the ordering properties of partially oriented samples. The VACSY technique is then extended to three-dimensional experiments to study slow molecular reorientations in a multi-site polymer system

  3. CONTIN XPCS: Software for Inverse Transform Analysis of X-Ray Photon Correlation Spectroscopy Dynamics.

    Science.gov (United States)

    Andrews, Ross N; Narayanan, Suresh; Zhang, Fan; Kuzmenko, Ivan; Ilavsky, Jan

    2018-02-01

    X-ray photon correlation spectroscopy (XPCS) and dynamic light scattering (DLS) both reveal dynamics using coherent scattering, but X-rays permit investigating of dynamics in a much more diverse array of materials. Heterogeneous dynamics occur in many such materials, and we showed how classic tools employed in analysis of heterogeneous DLS dynamics extend to XPCS, revealing additional information that conventional Kohlrausch exponential fitting obscures. This work presents the software implementation of inverse transform analysis of XPCS data called CONTIN XPCS, an extension of traditional CONTIN that accommodates dynamics encountered in equilibrium XPCS measurements.

  4. Correlative Raman spectroscopy and focused ion beam for targeted phase boundary analysis of titania polymorphs

    Energy Technology Data Exchange (ETDEWEB)

    Mangum, John S.; Chan, Lisa H.; Schmidt, Ute; Garten, Lauren M.; Ginley, David S.; Gorman, Brian P.

    2018-05-01

    Site-specific preparation of specimens using focused ion beam instruments for transmission electron microscopy is at the forefront of targeting regions of interest for nanoscale characterization. Typical methods of pinpointing desired features include electron backscatter diffraction for differentiating crystal structures and energy-dispersive X-Ray spectroscopy for probing compositional variations. Yet there are situations, notably in the titanium dioxide system, where these techniques can fail. Differentiating between the brookite and anatase polymorphs of titania is either excessively laborious or impossible with the aforementioned techniques. However, due to differences in bonding structure, Raman spectroscopy serves as an ideal candidate for polymorph differentiation. In this work, a correlative approach utilizing Raman spectroscopy for targeted focused ion beam specimen preparation was employed. Dark field imaging and diffraction in the transmission electron microscope confirmed the region of interest located via Raman spectroscopy and demonstrated the validity of this new method. Correlative Raman spectroscopy, scanning electron microscopy, and focused ion beam is shown to be a promising new technique for identifying site-specific preparation of nanoscale specimens in cases where conventional approaches do not suffice.

  5. Comparison of photon correlation spectroscopy with photosedimentation analysis for the determination of aqueous colloid size distributions

    Science.gov (United States)

    Rees, Terry F.

    1990-01-01

    Colloidal materials, dispersed phases with dimensions between 0.001 and 1 μm, are potential transport media for a variety of contaminants in surface and ground water. Characterization of these colloids, and identification of the parameters that control their movement, are necessary before transport simulations can be attempted. Two techniques that can be used to determine the particle-size distribution of colloidal materials suspended in natural waters are compared. Photon correlation Spectroscopy (PCS) utilizes the Doppler frequency shift of photons scattered off particles undergoing Brownian motion to determine the size of colloids suspended in water. Photosedimentation analysis (PSA) measures the time-dependent change in optical density of a suspension of colloidal particles undergoing centrifugation. A description of both techniques, important underlying assumptions, and limitations are given. Results for a series of river water samples show that the colloid-size distribution means are statistically identical as determined by both techniques. This also is true of the mass median diameter (MMD), even though MMD values determined by PSA are consistently smaller than those determined by PCS. Because of this small negative bias, the skew parameters for the distributions are generally smaller for the PCS-determined distributions than for the PSA-determined distributions. Smaller polydispersity indices for the distributions are also determined by PCS.

  6. Correlation ion mobility spectroscopy

    Science.gov (United States)

    Pfeifer, Kent B [Los Lunas, NM; Rohde, Steven B [Corrales, NM

    2008-08-26

    Correlation ion mobility spectrometry (CIMS) uses gating modulation and correlation signal processing to improve IMS instrument performance. Closely spaced ion peaks can be resolved by adding discriminating codes to the gate and matched filtering for the received ion current signal, thereby improving sensitivity and resolution of an ion mobility spectrometer. CIMS can be used to improve the signal-to-noise ratio even for transient chemical samples. CIMS is especially advantageous for small geometry IMS drift tubes that can otherwise have poor resolution due to their small size.

  7. Analysis of Chuanxiong Rhizoma and its active components by Fourier transform infrared spectroscopy combined with two-dimensional correlation infrared spectroscopy.

    Science.gov (United States)

    Guo, Yizhen; Lv, Beiran; Wang, Jingjuan; Liu, Yang; Sun, Suqin; Xiao, Yao; Lu, Lina; Xiang, Li; Yang, Yanfang; Qu, Lei; Meng, Qinghong

    2016-01-15

    As complicated mixture systems, active components of Chuanxiong Rhizoma are very difficult to identify and discriminate. In this paper, the macroscopic IR fingerprint method including Fourier transform infrared spectroscopy (FT-IR), the second derivative infrared spectroscopy (SD-IR) and two-dimensional correlation infrared spectroscopy (2DCOS-IR), was applied to study and identify Chuanxiong raw materials and its different segmented production of HPD-100 macroporous resin. Chuanxiong Rhizoma is rich in sucrose. In the FT-IR spectra, water eluate is more similar to sucrose than the powder and the decoction. Their second derivative spectra amplified the differences and revealed the potentially characteristic IR absorption bands and combined with the correlation coefficient, concluding that 50% ethanol eluate had more ligustilide than other eluates. Finally, it can be found from 2DCOS-IR spectra that proteins were extracted by ethanol from Chuanxiong decoction by HPD-100 macroporous resin. It was demonstrated that the above three-step infrared spectroscopy could be applicable for quick, non-destructive and effective analysis and identification of very complicated and similar mixture systems of traditional Chinese medicines. Copyright © 2015 Elsevier B.V. All rights reserved.

  8. 2D FTIR correlation spectroscopy and EPR analysis of Urtica dioica leaves from areas of different environmental pollution.

    Science.gov (United States)

    Moskal, Paulina; Wesełucha-Birczyńska, Aleksandra; Łabanowska, Maria; Kurdziel, Magdalena; Filek, Maria

    2018-01-15

    Leaves of Urtica dioica collected from two areas of different environmental pollution were analysed by fourier transform infrared spectroscopy (FTIR) and electron paramagnetic resonance (EPR) spectroscopy. Analysis of FTIR spectra allows to describe main component of plant like proteins, lipids and carbohydrates. Although the FTIR spectra of plants from these two geographical locations of different environmental pollution appear to be relatively similar, 2D correlation shows completely different patterns. Synchronous and asynchronous correlation maps showed sequences of changes occurring during development of plant, manly in Amide I and Amide II, lignin, lipids and cellulose. In addition, 2D analysis revealed another sequence of changes as the function of plant growth depending on the degree of the environmental pollution. Two various kinds of paramagnetic species, transition metal ions (Mn(II), Fe(III)) and stable organic radicals (chlorophyll, semiquinone, tyrosyl and carbon centered) were found in leaves of nettle collected at different stages of development and growing in clean and polluted environment. In plants growing in polluted area the injuries of protein molecules bonding metal ions and the disturbances of photosynthesis and redox equilibrium in cells, as well as instability of polysaccharide structure of cell walls were observed. Copyright © 2017 Elsevier B.V. All rights reserved.

  9. 2D FTIR correlation spectroscopy and EPR analysis of Urtica dioica leaves from areas of different environmental pollution

    Science.gov (United States)

    Moskal, Paulina; Wesełucha-Birczyńska, Aleksandra; Łabanowska, Maria; Kurdziel, Magdalena; Filek, Maria

    2018-01-01

    Leaves of Urtica dioica collected from two areas of different environmental pollution were analysed by fourier transform infrared spectroscopy (FTIR) and electron paramagnetic resonance (EPR) spectroscopy. Analysis of FTIR spectra allows to describe main component of plant like proteins, lipids and carbohydrates. Although the FTIR spectra of plants from these two geographical locations of different environmental pollution appear to be relatively similar, 2D correlation shows completely different patterns. Synchronous and asynchronous correlation maps showed sequences of changes occurring during development of plant, manly in Amide I and Amide II, lignin, lipids and cellulose. In addition, 2D analysis revealed another sequence of changes as the function of plant growth depending on the degree of the environmental pollution. Two various kinds of paramagnetic species, transition metal ions (Mn(II), Fe(III)) and stable organic radicals (chlorophyll, semiquinone, tyrosyl and carbon centered) were found in leaves of nettle collected at different stages of development and growing in clean and polluted environment. In plants growing in polluted area the injuries of protein molecules bonding metal ions and the disturbances of photosynthesis and redox equilibrium in cells, as well as instability of polysaccharide structure of cell walls were observed.

  10. A comparison of single particle tracking and temporal image correlation spectroscopy for quantitative analysis of endosome motility

    DEFF Research Database (Denmark)

    Lund, F. W.; Wustner, D.

    2013-01-01

    Single particle tracking (SPT) is becoming a standard method to extract transport parameters from time-lapse image sequences of fluorescent vesicles in living cells. Another method to obtain these data is temporal image correlation spectroscopy (TICS), but this method is less often used for measu......Single particle tracking (SPT) is becoming a standard method to extract transport parameters from time-lapse image sequences of fluorescent vesicles in living cells. Another method to obtain these data is temporal image correlation spectroscopy (TICS), but this method is less often used...... for measurement of intracellular vesicle transport. Here, we present an extensive comparison of SPT and TICS. First we examine the effect of photobleaching, shading and noise on SPT and TICS analysis using simulated image sequences. To this end, we developed a simple photophysical model, which relates spatially...... varying illumination intensity to the bleaching propensity and fluorescence intensity of the moving particles. We found that neither SPT nor TICS are affected by photobleaching per se, but the transport parameters obtained by both methods are sensitive to the signal-to-noise ratio. In addition, the number...

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

    Science.gov (United States)

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

    2011-12-01

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

  12. Matrix effect on emission/current correlated analysis in laser-induced breakdown spectroscopy of liquid droplets

    International Nuclear Information System (INIS)

    Huang, J.-S.; Ke, C.-B.; Lin, K.-C.

    2004-01-01

    We have investigated influence of matrix salts on the liquid droplets by laser-induced breakdown spectroscopy (LIBS). An electrospray ionization technique coupled with LIBS is employed to generate the microdroplets of the Na sample solution with various matrix salts added. A sequence of single-shot time-resolved LIB emission signals is detected. The LIB signal intensity integrated within a gate linearly correlates with the plasma-induced current response obtained simultaneously on a single-shot basis. The slopes thus obtained increase with the sample concentration, but appear to be irrespective of different matrix salts, added up to a 2000 mg/l concentration. The matrix salts involved have the same K + cation but different anions. Given a laser radiation emitting at 355 nm with the energy fixed at 23±1 mJ, a limit of detection (LOD) of 1.0 mg/l may be achieved for the Na analysis. The current normalization might have probably taken into account the ablated amount of the sample and the plasma temperature. Accordingly, the LIB/current correlated analysis becomes efficient to suppress the signal fluctuation, improve the LOD determination, and concurrently correct the matrix effect

  13. Spatial Temporal Image Correlation Spectroscopy (STICS) for Flow Analysis with Application for Blood Flow Mapping

    International Nuclear Information System (INIS)

    Rossow, Molly; Gratton, Enrico; Mantulin, William M.

    2009-01-01

    It is important for surgeons to be able to measure blood flow in exposed arterioles during surgery. We report our progress in the development of an optical technique that will measure blood flow in surgically exposed blood vessels and enable previously difficult measurements. By monitoring optical fluctuations, the optical technique, based on Spatial Temporal Image Correlation (STICS), will directly measure the velocity of micron-scale particles--such as red blood cells. It will complement existing technology and provide qualitative measurements that were not previously possible. It relies on the concept that blood, when viewed on a small enough scale, is an inhomogeneous substance. Individual blood cells passing between a near-infrared light source and a detector will cause fluctuations in the transmitted optical signal. The speed, direction, and flow pattern of blood cells can be determined from these optical fluctuations. We present a series of computer simulations and experiments on phantom and animal systems to test this technique's ability to map complex flow patterns.

  14. Spatial Temporal Image Correlation Spectroscopy (STICS) for Flow Analysis with Application for Blood Flow Mapping (abstract)

    Science.gov (United States)

    Rossow, Molly; Mantulin, William M.; Gratton, Enrico

    2009-04-01

    It is important for surgeons to be able to measure blood flow in exposed arterioles during surgery. We report our progress in the development of an optical technique that will measure blood flow in surgically exposed blood vessels and enable previously difficult measurements. By monitoring optical fluctuations, the optical technique, based on Spatial Temporal Image Correlation (STICS), will directly measure the velocity of micron-scale particles-such as red blood cells. It will complement existing technology and provide qualitative measurements that were not previously possible. It relies on the concept that blood, when viewed on a small enough scale, is an inhomogeneous substance. Individual blood cells passing between a near-infrared light source and a detector will cause fluctuations in the transmitted optical signal. The speed, direction, and flow pattern of blood cells can be determined from these optical fluctuations. We present a series of computer simulations and experiments on phantom and animal systems to test this technique's ability to map complex flow patterns.

  15. Analysis of the substrate recognition state of TDP-43 to single-stranded DNA using fluorescence correlation spectroscopy

    Directory of Open Access Journals (Sweden)

    Akira Kitamura

    2018-07-01

    Full Text Available Normal function and abnormal aggregation of transactivation response (TAR DNA/RNA-binding protein 43 kDa (TDP-43 are directly associated with the lethal genetic diseases: cystic fibrosis, amyotrophic lateral sclerosis (ALS, and frontotemporal lobar degeneration (FTLD. The binding of TDP-43 to single-stranded DNA (ssDNA or RNA is involved in transcriptional repression, regulation of RNA splicing, and RNA stabilization. Equilibrium dissociation constants (Kd of TDP-43 and ssDNA or RNA have been determined using various methods; however, methods that can measure Kd with high sensitivity in a short time using a small amount of TDP-43 in solution would be advantageous. Here, in order to determine the Kd of TDP-43 and fluorescence-labeled ssDNA as well as the binding stoichiometry, we use fluorescence correlation spectroscopy (FCS, which detects the slowed diffusion of molecular interactions in solution with single-molecule sensitivity, in addition to electrophoretic mobility shift assay (EMSA. Using tandem affinity chromatography of TDP-43 dually tagged with glutathione-S-transferase and poly-histidine tags, highly purified protein was obtained. FCS successfully detected specific interaction between purified TDP-43 and TG ssDNA repeats, with a Kd in the nanomolar range. The Kd of the TDP-43 mutant was not different from the wild type, although mutant oligomers, which did not bind ssDNA, were observed. Analysis of the fluorescence brightness per dimerized TDP-43/ssDNA complex was used to evaluate their binding stoichiometry. The results suggest that an assay combining FCS and EMSA can precisely analyze ssDNA recognition mechanisms, and that FCS may be applied for the rapid and quantitative determination of the interaction strength between TDP-43 and ssDNA or RNA. These methods will aid in the elucidation of the substrate recognition mechanism of ALS- and FTLD-associated variants of TDP-43.

  16. Combined multi-distance frequency domain and diffuse correlation spectroscopy system with simultaneous data acquisition and real-time analysis.

    Science.gov (United States)

    Carp, Stefan A; Farzam, Parisa; Redes, Norin; Hueber, Dennis M; Franceschini, Maria Angela

    2017-09-01

    Frequency domain near infrared spectroscopy (FD-NIRS) and diffuse correlation spectroscopy (DCS) have emerged as synergistic techniques for the non-invasive assessment of tissue health. Combining FD-NIRS oximetry with DCS measures of blood flow, the tissue oxygen metabolic rate can be quantified, a parameter more closely linked to underlying physiology and pathology than either NIRS or DCS estimates alone. Here we describe the first commercially available integrated instrument, called the "MetaOx", designed to enable simultaneous FD-NIRS and DCS measurements at rates of 10 + Hz, and offering real-time data evaluation. We show simultaneously acquired characterization data demonstrating performance equivalent to individual devices and sample in vivo measurements of pulsation resolved blood flow, forearm occlusion hemodynamic changes and muscle oxygen metabolic rate monitoring during stationary bike exercise.

  17. Electrochemical impedance spectroscopy analysis with a symmetric cell for LiCoO2 cathode degradation correlated with Co dissolution

    Directory of Open Access Journals (Sweden)

    Hiroki Nara

    2016-04-01

    Full Text Available Static degradation of LiCoO2 cathodes is a problem that hinders accurate analysis using our developed separable symmetric cell. Therefore, in this study we investigate the static degradation of LiCoO2 cathodes in separable symmetric cells by electrochemical impedance spectroscopy (EIS and inductively coupled plasma analyses. EIS measurements of LiCoO2 cathodes are conducted in various electrolytes, with different anions and with or without HF and/or H2O. This allows us to determine the static degradation of LiCoO2 cathodes relative to their increase of charge transfer resistance. The increase of the charge transfer resistance of the LiCoO2 cathodes is attributed to cobalt dissolution from the active material of LiCoO2. Cobalt dissolution from LiCoO2 is revealed to occur even at low potential in the presence of HF, which is generated from LiPF6 and H2O. The results indicate that avoidance of HF generation is important for the analysis of lithium-ion battery electrodes by using the separable cell. These findings reveal the condition to achieve accurate analysis by EIS using the separable cell.

  18. Source Determination of Red Gel Pen Inks using Raman Spectroscopy and Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy combined with Pearson's Product Moment Correlation Coefficients and Principal Component Analysis.

    Science.gov (United States)

    Mohamad Asri, Muhammad Naeim; Mat Desa, Wan Nur Syuhaila; Ismail, Dzulkiflee

    2018-01-01

    The potential combination of two nondestructive techniques, that is, Raman spectroscopy (RS) and attenuated total reflectance-fourier transform infrared (ATR-FTIR) spectroscopy with Pearson's product moment correlation (PPMC) coefficient (r) and principal component analysis (PCA) to determine the actual source of red gel pen ink used to write a simulated threatening note, was examined. Eighteen (18) red gel pens purchased from Japan and Malaysia from November to December 2014 where one of the pens was used to write a simulated threatening note were analyzed using RS and ATR-FTIR spectroscopy, respectively. The spectra of all the red gel pen inks including the ink deposited on the simulated threatening note gathered from the RS and ATR-FTIR analyses were subjected to PPMC coefficient (r) calculation and principal component analysis (PCA). The coefficients r = 0.9985 and r = 0.9912 for pairwise combination of RS and ATR-FTIR spectra respectively and similarities in terms of PC1 and PC2 scores of one of the inks to the ink deposited on the simulated threatening note substantiated the feasibility of combining RS and ATR-FTIR spectroscopy with PPMC coefficient (r) and PCA for successful source determination of red gel pen inks. The development of pigment spectral library had allowed the ink deposited on the threatening note to be identified as XSL Poppy Red (CI Pigment Red 112). © 2017 American Academy of Forensic Sciences.

  19. Image correlation spectroscopy: mapping correlations in space, time, and reciprocal space.

    Science.gov (United States)

    Wiseman, Paul W

    2013-01-01

    This chapter presents an overview of two recent implementations of image correlation spectroscopy (ICS). The background theory is presented for spatiotemporal image correlation spectroscopy and image cross-correlation spectroscopy (STICS and STICCS, respectively) as well as k-(reciprocal) space image correlation spectroscopy (kICS). An introduction to the background theory is followed by sections outlining procedural aspects for properly implementing STICS, STICCS, and kICS. These include microscopy image collection, sampling in space and time, sample and fluorescent probe requirements, signal to noise, and background considerations that are all required to properly implement the ICS methods. Finally, procedural steps for immobile population removal and actual implementation of the ICS analysis programs to fluorescence microscopy image time stacks are described. Copyright © 2013 Elsevier Inc. All rights reserved.

  20. Chemical analysis of industrial scale deposits by combined use of correlation coefficients with emission line detection of laser induced breakdown spectroscopy spectra

    International Nuclear Information System (INIS)

    Siozos, P.; Philippidis, A.; Hadjistefanou, M.; Gounarakis, C.; Anglos, D.

    2013-01-01

    Laser-induced breakdown spectroscopy (LIBS) was used to determine the mineral composition of various industrial scale samples. The aim of the study has been to investigate the capacity of LIBS to provide a fast, reliable analytical tool for carrying out routine analysis of inorganic scales, potentially on site, as a means to facilitate decision making concerning scale removal procedures. LIBS spectra collected in the range of 200–660 nm conveyed information about the metal content of the minerals. Via a straightforward analysis based on linear correlation of LIBS spectra it was possible to successfully discriminate scale samples into three main groups, Fe-rich, Ca-rich and Ba-rich, on the basis of correlation coefficients. By combining correlation coefficients with spectral data collected in the NIR, 860–960 nm, where sulfur emissions are detected, it became further possible to discriminate sulfates from carbonates as confirmed by independent analysis based on Raman spectroscopy. It is emphasized that the proposed LIBS-based method successfully identifies the major mineral or minerals present in the samples classifying the scales into relevant groups hence enabling process engineers to select appropriate scale dissolution strategies. - Highlights: • LIBS was used to determine the mineral composition of industrial scale samples. • Three groups of inorganic scales were identified: Ca rich, Ba rich and Fe rich. • A method that combines correlation coefficients and line detection is proposed. • The method successfully identifies the main mineral, or minerals, in the samples. • The results were compared with results obtained by use of Raman analysis

  1. Two-focus fluorescence correlation spectroscopy

    International Nuclear Information System (INIS)

    Dertinger, T.

    2007-05-01

    Fluorescence Correlation Spectroscopy (FCS) has been invented more than 30 years ago and experienced a renaissance after stable and affordable laser sources and low-noise single-photon detectors have become available. Its ability to measure diffusion coefficients at nanomolar concentrations of analyte made it a widely used tool in biophysics. However, in recent years it has been shown by many authors that aberrational (e.g. astigmatism) and photophysical effects (e.g. optical saturation) may influence the result of an FCS experiment dramatically, so that a precise and reliable estimation of the diffusion coefficient is no longer possible. In this thesis, we report on the development, implementation, and application of a new and robust modification of FCS that we termed two-focus FCS (2fFCS) and which fulfils two requirements: (i) It introduces an external ruler into the measurement by generating two overlapping laser foci of precisely known and fixed distance. (ii) These two foci and corresponding detection regions are generated in such a way that the corresponding molecule detection functions (MDFs) are sufficiently well described by a simple two-parameter model yielding accurate diffusion coefficients when applied to 2fFCS data analysis. Both these properties enable us to measure absolute values of the diffusion coefficient with an accuracy of a few percent. Moreover, it will turn out that the new technique is robust against refractive index mismatch, coverslide thickness deviations, and optical saturation effects, which so often trouble conventional FCS measurements. This thesis deals mainly with the introduction of the new measurement scheme, 2fFCS, but also presents several applications with far-reaching importance. (orig.)

  2. Two-focus fluorescence correlation spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Dertinger, T.

    2007-05-15

    Fluorescence Correlation Spectroscopy (FCS) has been invented more than 30 years ago and experienced a renaissance after stable and affordable laser sources and low-noise single-photon detectors have become available. Its ability to measure diffusion coefficients at nanomolar concentrations of analyte made it a widely used tool in biophysics. However, in recent years it has been shown by many authors that aberrational (e.g. astigmatism) and photophysical effects (e.g. optical saturation) may influence the result of an FCS experiment dramatically, so that a precise and reliable estimation of the diffusion coefficient is no longer possible. In this thesis, we report on the development, implementation, and application of a new and robust modification of FCS that we termed two-focus FCS (2fFCS) and which fulfils two requirements: (i) It introduces an external ruler into the measurement by generating two overlapping laser foci of precisely known and fixed distance. (ii) These two foci and corresponding detection regions are generated in such a way that the corresponding molecule detection functions (MDFs) are sufficiently well described by a simple two-parameter model yielding accurate diffusion coefficients when applied to 2fFCS data analysis. Both these properties enable us to measure absolute values of the diffusion coefficient with an accuracy of a few percent. Moreover, it will turn out that the new technique is robust against refractive index mismatch, coverslide thickness deviations, and optical saturation effects, which so often trouble conventional FCS measurements. This thesis deals mainly with the introduction of the new measurement scheme, 2fFCS, but also presents several applications with far-reaching importance. (orig.)

  3. Chemical transitions of Areca semen during the thermal processing revealed by temperature-resolved ATR-FTIR spectroscopy and two-dimensional correlation analysis

    Science.gov (United States)

    Wang, Zhibiao; Wang, Xu; Pei, Wenxuan; Li, Sen; Sun, Suqin; Zhou, Qun; Chen, Jianbo

    2018-03-01

    Areca semen is a common herb used in traditional Chinese medicine, but alkaloids in this herb are categorized as Group I carcinogens by IARC. It has been proven that the stir-baking process can reduce alkaloids in Areca semen while keep the activity for promoting digestion. However, the changes of compositions other than alkaloids during the thermal processing are unclear. Understanding the thermal chemical transitions of Areca semen is necessary to explore the processing mechanisms and optimize the procedures. In this research, FTIR spectroscopy with a temperature-controlled ATR accessory is employed to study the heating process of Areca semen. Principal component analysis and two-dimensional correlation spectroscopy are used to interpret the spectra to reveal the chemical transitions of Areca semen in different temperature ranges. The loss of a few volatile compounds in the testa and sperm happens below 105 °C, while some esters in the sperm decreases above 105 °C. As the heating temperature is close to 210 °C, Areca semen begins to be scorched and the decomposition of many compounds can be observed. This research shows the potential of the temperature-resolved ATR-FTIR spectroscopy in exploring the chemical transitions of the thermal processing of herbal materials.

  4. Statistical filtering in fluorescence microscopy and fluorescence correlation spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Macháň, Radek; Kapusta, Peter; Hof, Martin

    Roč. 406 , č. 20 (2014), s. 4797-4813 ISSN 1618-2642 R&D Projects: GA ČR GBP208/12/G016 Institutional support: RVO:61388955 Keywords : Filtered fluorescence correlation spectroscopy * Fluorescence lifetime correlation spectroscopy * Fluorescence spectral correlation spectroscopy Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.436, year: 2014

  5. Identification of Serine Conformers by Matrix-Isolation IR Spectroscopy Aided by Near-Infrared Laser Induced Conformational Change, 2D Correlation Analysis, and Quantum Mechanical Anharmonic Computations

    Science.gov (United States)

    Najbauer, Eszter E.; Bazsó, Gábor; Apóstolo, Rui; Fausto, Rui; Biczysko, Malgorzata; Barone, Vincenzo; Tarczay, György

    2018-01-01

    The conformers of α-serine were investigated by matrix-isolation IR spectroscopy combined with NIR laser irradiation. This method, aided by 2D correlation analysis, enabled unambiguously grouping the spectral lines to individual conformers. On the basis of comparison of at least nine experimentally observed vibrational transitions of each conformer with empirically scaled (SQM) and anharmonic (GVPT2) computed IR spectra, 6 conformers were identified. In addition, the presence of at least one more conformer in Ar matrix was proved, and a short-lived conformer with a half-live of (3.7±0.5)·103 s in N2 matrix was generated by NIR irradiation. The analysis of the NIR laser induced conversions revealed that the excitation of the stretching overtone of both the side-chain and the carboxylic OH groups can effectively promote conformational changes, but remarkably different paths were observed for the two kinds of excitations. PMID:26201050

  6. A novel normalization method based on principal component analysis to reduce the effect of peak overlaps in two-dimensional correlation spectroscopy

    Science.gov (United States)

    Wang, Yanwei; Gao, Wenying; Wang, Xiaogong; Yu, Zhiwu

    2008-07-01

    Two-dimensional correlation spectroscopy (2D-COS) has been widely used to separate overlapped spectroscopic bands. However, band overlap may sometimes cause misleading results in the 2D-COS spectra, especially if one peak is embedded within another peak by the overlap. In this work, we propose a new normalization method, based on principal component analysis (PCA). For each spectrum under discussion, the first principal component of PCA is simply taken as the normalization factor of the spectrum. It is demonstrated that the method works well with simulated dynamic spectra. Successful result has also been obtained from the analysis of an overlapped band in the wavenumber range 1440-1486 cm -1 for the evaporation process of a solution containing behenic acid, methanol, and chloroform.

  7. Correlation analysis between surface electromyography and continuous-wave near-infrared spectroscopy parameters during isometric exercise to volitional fatigue

    OpenAIRE

    ŞAYLİ, Ömer; AKIN, Ata; ÇOTUK, Hasan Birol

    2014-01-01

    In this study, the process of muscular fatigue was examined using surface electromyography (sEMG) and continuous-wave near-infrared spectroscopy (cw-NIRS) simultaneously during an isometric hand grip exercise at 50% and 75% of the maximal voluntary contraction (MVC), sustained until volitional fatigue. The mean frequency of the sEMG decreased during the whole exercise, whereas the root mean square had a tendency to increase. Oxyhemoglobin/deoxyhemoglobin concentration changes computed ...

  8. Two-dimensional correlation spectroscopy in polymer study

    Science.gov (United States)

    Park, Yeonju; Noda, Isao; Jung, Young Mee

    2015-01-01

    This review outlines the recent works of two-dimensional correlation spectroscopy (2DCOS) in polymer study. 2DCOS is a powerful technique applicable to the in-depth analysis of various spectral data of polymers obtained under some type of perturbation. The powerful utility of 2DCOS combined with various analytical techniques in polymer studies and noteworthy developments of 2DCOS used in this field are also highlighted. PMID:25815286

  9. Noise Spectroscopy in Strongly Correlated Oxides

    Science.gov (United States)

    Alsaqqa, Ali M.

    Strongly correlated materials are an interesting class of materials, thanks to the novel electronic and magnetic phenomena they exhibit as a result of the interplay of various degrees of freedom. This gives rise to an array of potential applications, from Mott-FET to magnetic storage. Many experimental probes have been used to study phase transitions in strongly correlated oxides. Among these, resistance noise spectroscopy, together with conventional transport measurements, provides a unique viewpoint to understand the microscopic dynamics near the phase transitions in these oxides. In this thesis, utilizing noise spectroscopy and transport measurements, four different strongly correlated materials were studied: (1) neodymium nickel oxide (NdNiO 3) ultrathin films, (2) vanadium dioxide (VO2) microribbons, (3) copper vanadium bronze (CuxV2O 5) microribbons and (4) niobium triselenide (NbSe3) microribbons. Ultra thin films of rare-earth nickelates exhibit several temperature-driven phase transitions. In this thesis, we studied the metal-insulator and Neel transitions in a series of NdNiO3 films with different lattice mismatches. Upon colling down, the metal-insulator phase transition is accompanied by a structural (orthorohombic to monoclinic) and magnetic (paramagnetic to antiferromagnetic) transitions as well, making the problem more interesting and complex at the same time. The noise is of the 1/f type and is Gaussian in the high temperature phase, however deviations are seen in the low temperature phases. Below the metal-insulator transition, noise magnitude increases by orders of magnitude: a sign of inhomogeneous electrical conduction as result of phase separation. This is further assured by the non-Gaussian noise signature. At very low temperatures (T switches between Gaussian and non-Gaussian over several hours, possibly arising from dynamically competing ground states. VO2 is one of the most widely studied strongly correlated oxides and is important from the

  10. Correlating laser-induced breakdown spectroscopy with neutron activation analysis to determine the elemental concentration in the ionome of the Populus trichocarpa leaf

    Science.gov (United States)

    Martin, Madhavi Z.; Glasgow, David C.; Tschaplinski, Timothy J.; Tuskan, Gerald A.; Gunter, Lee E.; Engle, Nancy L.; Wymore, Ann M.; Weston, David J.

    2017-12-01

    The black cottonwood poplar (Populus trichocarpa) leaf ionome (inorganic trace elements and mineral nutrients) is an important aspect for determining the physiological and developmental processes contributing to biomass production. A number of techniques are used to measure the ionome, yet characterizing the leaf spatial heterogeneity remains a challenge, especially in solid samples. Laser-induced breakdown spectroscopy (LIBS) has been used to determine the elemental composition of leaves and is able to raster across solid matrixes at 10 μm resolution. Here, we evaluate the use of LIBS for solid sample leaf elemental characterization in relation to neutron activation. In fact, neutron activation analysis is a laboratory-based technique which is used by the National Institute of Standards and Technology (NIST) to certify trace elements in candidate reference materials including plant leaf matrices. Introduction to the techniques used in this research has been presented in this manuscript. Neutron activation analysis (NAA) data has been correlated to the LIBS spectra to achieve quantification of the elements or ions present within poplar leaves. The regression coefficients of calibration and validation using multivariate analysis (MVA) methodology for six out of seven elements have been determined and vary between 0.810 and 0.998. LIBS and NAA data has been presented for the elements such as, calcium, magnesium, manganese, aluminum, copper, and potassium. Chlorine was also detected but it did not show good correlation between the LIBS and NAA techniques. This research shows that LIBS can be used as a fast, high-spatial resolution technique to quantify elements as part of large-scale field phenotyping projects.

  11. Correlation analysis in chemistry: recent advances

    National Research Council Canada - National Science Library

    Shorter, John; Chapman, Norman Bellamy

    1978-01-01

    ..., and applications of LFER to polycyclic arenes, heterocyclic compounds, and olefinic systems. Of particular interest is the extensive critical compilation of substituent constants and the numerous applications of correlation analysis to spectroscopy...

  12. Optical Spectroscopy and Imaging of Correlated Spin Orbit Phases

    Science.gov (United States)

    2016-06-14

    Unlimited UU UU UU UU 14-06-2016 15-Mar-2013 14-Mar-2016 Final Report: Optical Spectroscopy and Imaging of Correlated Spin-Orbit Phases The views...Box 12211 Research Triangle Park, NC 27709-2211 Ultrafast optical spectroscopy , nonlinear optical spectroscopy , iridates, cuprates REPORT...California Blvd. Pasadena, CA 91125 -0001 ABSTRACT Number of Papers published in peer-reviewed journals: Final Report: Optical Spectroscopy and

  13. Fluorescence Lifetime Correlation Spectroscopy (FLCS): Concepts, Applications and Outlook

    Czech Academy of Sciences Publication Activity Database

    Kapusta, Peter; Macháň, Radek; Benda, A.; Hof, Martin

    2012-01-01

    Roč. 13, č. 10 (2012), s. 12890-12910 E-ISSN 1422-0067 R&D Projects: GA ČR GBP208/12/G016 Institutional support: RVO:61388955 Keywords : fluorescence correlation spectroscopy (FCS) * time correlated single photon counting (TCSPC) * fluorescence cross-correlation spectroscopy (FCCS) Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.464, year: 2012

  14. Analytical Raman spectroscopic study for discriminant analysis of different animal-derived feedstuff: Understanding the high correlation between Raman spectroscopy and lipid characteristics.

    Science.gov (United States)

    Gao, Fei; Xu, Lingzhi; Zhang, Yuejing; Yang, Zengling; Han, Lujia; Liu, Xian

    2018-02-01

    The objectives of the current study were to explore the correlation between Raman spectroscopy and lipid characteristics and to assess the potential of Raman spectroscopic methods for distinguishing the different sources of animal-originated feed based on lipid characteristics. A total of 105 lipid samples derived from five animal species have been analyzed by gas chromatography (GC) and FT-Raman spectroscopy. High correlations (r 2 >0.94) were found between the characteristic peak ratio of the Raman spectra (1654/1748 and 1654/1445) and the degree of unsaturation of the animal lipids. The results of FT-Raman data combined with chemometrics showed that the fishmeal, poultry, porcine and ruminant (bovine and ovine) MBMs could be well separated based on their lipid spectral characteristics. This study demonstrated that FT-Raman spectroscopy can mostly exhibit the lipid structure specificity of different species of animal-originated feed and can be used to discriminate different animal-originated feed samples. Copyright © 2017. Published by Elsevier Ltd.

  15. Fluorescence correlation spectroscopy analysis for accurate determination of proportion of doubly labeled DNA in fluorescent DNA pool for quantitative biochemical assays.

    Science.gov (United States)

    Hou, Sen; Sun, Lili; Wieczorek, Stefan A; Kalwarczyk, Tomasz; Kaminski, Tomasz S; Holyst, Robert

    2014-01-15

    Fluorescent double-stranded DNA (dsDNA) molecules labeled at both ends are commonly produced by annealing of complementary single-stranded DNA (ssDNA) molecules, labeled with fluorescent dyes at the same (3' or 5') end. Because the labeling efficiency of ssDNA is smaller than 100%, the resulting dsDNA have two, one or are without a dye. Existing methods are insufficient to measure the percentage of the doubly-labeled dsDNA component in the fluorescent DNA sample and it is even difficult to distinguish the doubly-labeled DNA component from the singly-labeled component. Accurate measurement of the percentage of such doubly labeled dsDNA component is a critical prerequisite for quantitative biochemical measurements, which has puzzled scientists for decades. We established a fluorescence correlation spectroscopy (FCS) system to measure the percentage of doubly labeled dsDNA (PDL) in the total fluorescent dsDNA pool. The method is based on comparative analysis of the given sample and a reference dsDNA sample prepared by adding certain amount of unlabeled ssDNA into the original ssDNA solution. From FCS autocorrelation functions, we obtain the number of fluorescent dsDNA molecules in the focal volume of the confocal microscope and PDL. We also calculate the labeling efficiency of ssDNA. The method requires minimal amount of material. The samples have the concentration of DNA in the nano-molar/L range and the volume of tens of microliters. We verify our method by using restriction enzyme Hind III to cleave the fluorescent dsDNA. The kinetics of the reaction depends strongly on PDL, a critical parameter for quantitative biochemical measurements. Copyright © 2013 Elsevier B.V. All rights reserved.

  16. Spectral analysis by correlation

    International Nuclear Information System (INIS)

    Fauque, J.M.; Berthier, D.; Max, J.; Bonnet, G.

    1969-01-01

    The spectral density of a signal, which represents its power distribution along the frequency axis, is a function which is of great importance, finding many uses in all fields concerned with the processing of the signal (process identification, vibrational analysis, etc...). Amongst all the possible methods for calculating this function, the correlation method (correlation function calculation + Fourier transformation) is the most promising, mainly because of its simplicity and of the results it yields. The study carried out here will lead to the construction of an apparatus which, coupled with a correlator, will constitute a set of equipment for spectral analysis in real time covering the frequency range 0 to 5 MHz. (author) [fr

  17. LASER CORRELATION SPECTROSCOPY (LCS AND ITS CLINICAL PERSPECTIVES IN OPHTHALMOLOGY

    Directory of Open Access Journals (Sweden)

    Karganov Mikhail

    2015-12-01

    Full Text Available The method of laser correlation spectroscopy (LCS is based on the analysis of the spectrum of quasielastic light scatter during coherent monochromatic laser irradiation of micro-particles in biological fluids (blood serum, urine, oropharyngeal washout fluid, tear fluid etc.. Spectrum provides information on dynamic processes in the analyzed system: translation motion of scattering particles and their orientation and conformation dynamics. Special procedures of cluster analysis make it possible to find out to which linkage group a particular spectrum belongs. LCS allows evaluation of sub-fractional composition of biological fluids in a wide range of molecular sizes (from 1 to 10,000 nm, which determines principal novelty of this approach in ophthalmology.

  18. 25 ns software correlator for photon and fluorescence correlation spectroscopy

    Science.gov (United States)

    Magatti, Davide; Ferri, Fabio

    2003-02-01

    A 25 ns time resolution, multi-tau software correlator developed in LABVIEW based on the use of a standard photon counting unit, a fast timer/counter board (6602-PCI National Instrument) and a personal computer (PC) (1.5 GHz Pentium 4) is presented and quantitatively discussed. The correlator works by processing the stream of incoming data in parallel according to two different algorithms: For large lag times (τ⩾100 μs), a classical time-mode (TM) scheme, based on the measure of the number of pulses per time interval, is used; differently, for τ⩽100 μs a photon-mode (PM) scheme is adopted and the time sequence of the arrival times of the photon pulses is measured. By combining the two methods, we developed a system capable of working out correlation functions on line, in full real time for the TM correlator and partially in batch processing for the PM correlator. For the latter one, the duty cycle depends on the count rate of the incoming pulses, being ˜100% for count rates ⩽3×104 Hz, ˜15% at 105 Hz, and ˜1% at 106 Hz. For limitations imposed by the fairly small first-in, first-out (FIFO) buffer available on the counter board, the maximum count rate permissible for a proper functioning of the PM correlator is limited to ˜105 Hz. However, this limit can be removed by using a board with a deeper FIFO. Similarly, the 25 ns time resolution is only limited by maximum clock frequency available on the 6602-PCI and can be easily improved by using a faster clock. When tested on dilute solutions of calibrated latex spheres, the overall performances of the correlator appear to be comparable with those of commercial hardware correlators, but with several nontrivial advantages related to its flexibility, low cost, and easy adaptability to future developments of PC and data acquisition technology.

  19. Hydrogel-Embedded Model Photocatalytic System Investigated by Raman and IR Spectroscopy Assisted by Density Functional Theory Calculations and Two-Dimensional Correlation Analysis.

    Science.gov (United States)

    Geitner, Robert; Götz, Stefan; Stach, Robert; Siegmann, Michael; Krebs, Patrick; Zechel, Stefan; Schreyer, Kristin; Winter, Andreas; Hager, Martin D; Schubert, Ulrich S; Gräfe, Stefanie; Dietzek, Benjamin; Mizaikoff, Boris; Schmitt, Michael; Popp, Jürgen

    2018-03-15

    The presented study reports the synthesis and the vibrational spectroscopic characterization of different matrix-embedded model photocatalysts. The goal of the study is to investigate the interaction of a polymer matrix with photosensitizing dyes and metal complexes for potential future photocatalytic applications. The synthesis focuses on a new rhodamine B derivate and a Pt(II) terpyridine complex, which both contain a polymerizable methacrylate moiety and an acid labile acylhydrazone group. The methacrylate moieties are afterward utilized to synthesize functional model hydrogels mainly consisting of poly(ethylene glycol) methacrylate units. The pH-dependent and temperature-dependent behavior of the hydrogels is investigated by means of Raman and IR spectroscopy assisted by density functional theory calculations and two-dimensional correlation spectroscopy. The spectroscopic results reveal that the Pt(II) terpyridine complex can be released from the polymer matrix by cleaving the C═N bond in an acid environment. The same behavior could not be observed in the case of the rhodamine B dye although it features a comparable C═N bond. The temperature-dependent study shows that the water evaporation has a significant influence neither on the molecular structure of the hydrogel nor on the model photocatalytic moieties.

  20. [A comparative analysis of the informative value of anti-AChR-antibody radioimmunoassay and laser correlation spectroscopy in myasthenia gravis].

    Science.gov (United States)

    Alchinova, I B; Yakovenko, E N; Sidnev, D V; Dedaev, S Yu; Sanadze, A G; Karganov, M Yu

    An aim of the study was to compare informative value of traditional approach (anti-AChR antibody radioimmunoassay) and evaluation of metabolic shifts by laser correlation spectroscopy in myasthenia gravis. The search for the relationship between the disease severity in 77 patients, 12-80 years and the distribution pattern of subfraction serum components revealed three informative zones: 6-15, 27-67, and 127-223 nm. In patients without disturbances of vital functions, the contribution of the first zone particles into light scatter increases and that of the third zone particles decreases. Considerable differences attaining the level of statistical significance in zones 6 and 20 nm were revealed in the spectra of serum from patients with myasthenia gravis of the same severity with and without thymoma. This opens prospects for dynamic monitoring of the efficiency of therapy.

  1. Radiation damage analysis by positron annihilation spectroscopy

    International Nuclear Information System (INIS)

    Siegel, R.W.

    1979-01-01

    The application of positron annihilation spectroscopy (PAS) to the characterization and study of defects in metals produced by radiation damage is discussed. The physical basis for the positron annihilation techniques (lifetime, Doppler broadening, angular correlation) is introduced and the techniques briefly described. Some examples of the application of PAS to radiation damage analysis are presented with a view toward elucidating the particular advantages of PAS over more traditional defect characterization techniques

  2. Resolving Fast, Confined Diffusion in Bacteria with Image Correlation Spectroscopy.

    Science.gov (United States)

    Rowland, David J; Tuson, Hannah H; Biteen, Julie S

    2016-05-24

    By following single fluorescent molecules in a microscope, single-particle tracking (SPT) can measure diffusion and binding on the nanometer and millisecond scales. Still, although SPT can at its limits characterize the fastest biomolecules as they interact with subcellular environments, this measurement may require advanced illumination techniques such as stroboscopic illumination. Here, we address the challenge of measuring fast subcellular motion by instead analyzing single-molecule data with spatiotemporal image correlation spectroscopy (STICS) with a focus on measurements of confined motion. Our SPT and STICS analysis of simulations of the fast diffusion of confined molecules shows that image blur affects both STICS and SPT, and we find biased diffusion rate measurements for STICS analysis in the limits of fast diffusion and tight confinement due to fitting STICS correlation functions to a Gaussian approximation. However, we determine that with STICS, it is possible to correctly interpret the motion that blurs single-molecule images without advanced illumination techniques or fast cameras. In particular, we present a method to overcome the bias due to image blur by properly estimating the width of the correlation function by directly calculating the correlation function variance instead of using the typical Gaussian fitting procedure. Our simulation results are validated by applying the STICS method to experimental measurements of fast, confined motion: we measure the diffusion of cytosolic mMaple3 in living Escherichia coli cells at 25 frames/s under continuous illumination to illustrate the utility of STICS in an experimental parameter regime for which in-frame motion prevents SPT and tight confinement of fast diffusion precludes stroboscopic illumination. Overall, our application of STICS to freely diffusing cytosolic protein in small cells extends the utility of single-molecule experiments to the regime of fast confined diffusion without requiring advanced

  3. Distribution of diffusion times determined by fluorescence (lifetime) correlation spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Pánek, Jiří; Loukotová, Lenka; Hrubý, Martin; Štěpánek, Petr

    2018-01-01

    Roč. 51, č. 8 (2018), s. 2796-2804 ISSN 0024-9297 R&D Projects: GA MŠk(CZ) LO1507 Institutional support: RVO:61389013 Keywords : polymer solution * fluorescence correlation spectroscopy * diffusion time distribution Subject RIV: CD - Macromolecular Chemistry OBOR OECD: Polymer science Impact factor: 5.835, year: 2016

  4. Blood analysis by Raman spectroscopy.

    Science.gov (United States)

    Enejder, Annika M K; Koo, Tae-Woong; Oh, Jeankun; Hunter, Martin; Sasic, Slobodan; Feld, Michael S; Horowitz, Gary L

    2002-11-15

    Concentrations of multiple analytes were simultaneously measured in whole blood with clinical accuracy, without sample processing, using near-infrared Raman spectroscopy. Spectra were acquired with an instrument employing nonimaging optics, designed using Monte Carlo simulations of the influence of light-scattering-absorbing blood cells on the excitation and emission of Raman light in turbid medium. Raman spectra were collected from whole blood drawn from 31 individuals. Quantitative predictions of glucose, urea, total protein, albumin, triglycerides, hematocrit, and hemoglobin were made by means of partial least-squares (PLS) analysis with clinically relevant precision (r(2) values >0.93). The similarity of the features of the PLS calibration spectra to those of the respective analyte spectra illustrates that the predictions are based on molecular information carried by the Raman light. This demonstrates the feasibility of using Raman spectroscopy for quantitative measurements of biomolecular contents in highly light-scattering and absorbing media.

  5. Advancements of two dimensional correlation spectroscopy in protein researches

    Science.gov (United States)

    Tao, Yanchun; Wu, Yuqing; Zhang, Liping

    2018-05-01

    The developments of two-dimensional correlation spectroscopy (2DCOS) applications in protein studies are discussed, especially for the past two decades. The powerful utilities of 2DCOS combined with various analytical techniques in protein studies are summarized. The emphasis is on the vibration spectroscopic techniques including IR, NIR, Raman and optical activity (ROA), as well as vibration circular dichroism (VCD) and fluorescence spectroscopy. In addition, some new developments, such as hetero-spectral 2DCOS, moving-window correlation, and model based correlation, are also reviewed for their utility in the investigation of the secondary structure, denaturation, folding and unfolding changes of protein. Finally, the new possibility and challenges of 2DCOS in protein research are highlighted as well.

  6. Inference of protein diffusion probed via fluorescence correlation spectroscopy

    Science.gov (United States)

    Tsekouras, Konstantinos

    2015-03-01

    Fluctuations are an inherent part of single molecule or few particle biophysical data sets. Traditionally, ``noise'' fluctuations have been viewed as a nuisance, to be eliminated or minimized. Here we look on how statistical inference methods - that take explicit advantage of fluctuations - have allowed us to draw an unexpected picture of single molecule diffusional dynamics. Our focus is on the diffusion of proteins probed using fluorescence correlation spectroscopy (FCS). First, we discuss how - in collaboration with the Bustamante and Marqusee labs at UC Berkeley - we determined using FCS data that individual enzymes are perturbed by self-generated catalytic heat (Riedel et al, Nature, 2014). Using the tools of inference, we found how distributions of enzyme diffusion coefficients shift in the presence of substrate revealing that enzymes performing highly exothermic reactions dissipate heat by transiently accelerating their center of mass following a catalytic reaction. Next, when molecules diffuse in the cell nucleus they often appear to diffuse anomalously. We analyze FCS data - in collaboration with Rich Day at the IU Med School - to propose a simple model for transcription factor binding-unbinding in the nucleus to show that it may give rise to apparent anomalous diffusion. Here inference methods extract entire binding affinity distributions for the diffusing transcription factors, allowing us to precisely characterize their interactions with different components of the nuclear environment. From this analysis, we draw key mechanistic insight that goes beyond what is possible by simply fitting data to ``anomalous diffusion'' models.

  7. Blood proteins analysis by Raman spectroscopy method

    Science.gov (United States)

    Artemyev, D. N.; Bratchenko, I. A.; Khristoforova, Yu. A.; Lykina, A. A.; Myakinin, O. O.; Kuzmina, T. P.; Davydkin, I. L.; Zakharov, V. P.

    2016-04-01

    This work is devoted to study the possibility of plasma proteins (albumin, globulins) concentration measurement using Raman spectroscopy setup. The blood plasma and whole blood were studied in this research. The obtained Raman spectra showed significant variation of intensities of certain spectral bands 940, 1005, 1330, 1450 and 1650 cm-1 for different protein fractions. Partial least squares regression analysis was used for determination of correlation coefficients. We have shown that the proposed method represents the structure and biochemical composition of major blood proteins.

  8. Kinoform optics applied to X-ray photon correlation spectroscopy.

    Science.gov (United States)

    Sandy, A R; Narayanan, S; Sprung, M; Su, J-D; Evans-Lutterodt, K; Isakovic, A F; Stein, A

    2010-05-01

    Moderate-demagnification higher-order silicon kinoform focusing lenses have been fabricated to facilitate small-angle X-ray photon correlation spectroscopy (XPCS) experiments. The geometric properties of such lenses, their focusing performance and their applicability for XPCS measurements are described. It is concluded that one-dimensional vertical X-ray focusing via silicon kinoform lenses significantly increases the usable coherent flux from third-generation storage-ring light sources for small-angle XPCS experiments.

  9. Combination of laser correlation and dielectric spectroscopy in albumin investigations

    International Nuclear Information System (INIS)

    Nepomnyashchaya, E; Cheremiskina, A; Velichko, E; Aksenov, E; Bogomaz, T

    2015-01-01

    Joint use of laser correlation and dielectric spectroscopies for studies of biomolecular properties of albumin in water solution is considered. The conditions and parameters of the experiments are discussed. Similar behaviours of albumin molecular sizes and maximum frequency of peak of dielectric dissipation factor with increasing acidity were revealed. Using the suggested approach, biomolecular aggregation dynamics and changes in electrophysical properties on transition from one molecular structure to another may be investigated. (paper)

  10. Fourier Transform Infrared Spectroscopy and Photoacoustic Spectroscopy for Saliva Analysis.

    Science.gov (United States)

    Mikkonen, Jopi J W; Raittila, Jussi; Rieppo, Lassi; Lappalainen, Reijo; Kullaa, Arja M; Myllymaa, Sami

    2016-09-01

    Saliva provides a valuable tool for assessing oral and systemic diseases, but concentrations of salivary components are very small, calling the need for precise analysis methods. In this work, Fourier transform infrared (FT-IR) spectroscopy using transmission and photoacoustic (PA) modes were compared for quantitative analysis of saliva. The performance of these techniques was compared with a calibration series. The linearity of spectrum output was verified by using albumin-thiocyanate (SCN(-)) solution at different SCN(-) concentrations. Saliva samples used as a comparison were obtained from healthy subjects. Saliva droplets of 15 µL were applied on the silicon sample substrate, 6 drops for each specimen, and dried at 37 ℃ overnight. The measurements were carried out using an FT-IR spectrometer in conjunction with an accessory unit for PA measurements. The findings with both transmission and PA modes mirror each other. The major bands presented were 1500-1750 cm(-1) for proteins and 1050-1200 cm(-1) for carbohydrates. In addition, the distinct spectral band at 2050 cm(-1) derives from SCN(-) anions, which is converted by salivary peroxidases to hypothiocyanate (OSCN(-)). The correlation between the spectroscopic data with SCN(-) concentration (r > 0.990 for transmission and r = 0.967 for PA mode) was found to be significant (P < 0.01), thus promising to be utilized in future applications. © The Author(s) 2016.

  11. Recent mathematical developments in 2D correlation spectroscopy

    Science.gov (United States)

    Noda, I.

    2000-03-01

    Recent mathematical developments in the field of 2D correlation spectroscopy, especially those related to the statistical theory, are reported. The notion of correlation phase angle is introduced. The significance of correlation phase angle between dynamic fluctuations of signals measured at two different spectral variables may be linked to more commonly known statistical concepts, such as coherence and correlation coefficient. This treatment provides the direct mathematical connection between the synchronous 2D correlation spectrum with a continuous form of the variance-covariance matrix. Moreover, it gives the background for the formal definition of the disrelation spectrum, which may be used as a heuristic substitution for the asynchronous 2D spectrum. The 2D correlation intensity may be separated into two independent factors representing the normalized extent of signal fluctuation coherence (i.e., correlation coefficient) and the magnitude of spectral intensity changes (i.e., variance). Such separation offers a convenient way to artificially enhance the discriminating power of 2D correlation spectra.

  12. Study on Senna alata and its different extracts by Fourier transform infrared spectroscopy and two-dimensional correlation infrared spectroscopy

    Science.gov (United States)

    Adiana, M. A.; Mazura, M. P.

    2011-04-01

    Senna alata L. commonly known as candle bush belongs to the family of Fabaceae and the plant has been reported to possess anti-inflammatory, analgesic, laxative and antiplatelet-aggregating activity. In order to develop a rapid and effective analysis method for studying integrally the main constituents in the medicinal materials and their extracts, discriminating the extracts from different extraction process, comparing the categories of chemical constituents in the different extracts and monitoring the qualities of medicinal materials, we applied Fourier transform infrared spectroscopy (FT-IR) associated with second derivative infrared spectroscopy and two-dimensional infrared correlation spectroscopy (2D-IR) to study the main constituents of S. alata and its different extracts (extracted by hexane, dichloromethane, ethyl acetate and methanol in turn). The findings indicated that FT-IR and 2D-IR can provide many holistic variation rules of chemical constituents. Use of the macroscopical fingerprint characters of FT-IR and 2D-IR spectrum can identify the main chemical constituents in medicinal materials and their extracts, but also compare the components differences among similar samples. In a conclusion, FT-IR spectroscopy combined with 2D correlation analysis provides a powerful method for the quality control of traditional medicines.

  13. A 32-channel photon counting module with embedded auto/cross-correlators for real-time parallel fluorescence correlation spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Gong, S.; Labanca, I.; Rech, I.; Ghioni, M. [Dipartimento di Elettronica, Informazione e Bioingegneria, Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133 Milano (Italy)

    2014-10-15

    Fluorescence correlation spectroscopy (FCS) is a well-established technique to study binding interactions or the diffusion of fluorescently labeled biomolecules in vitro and in vivo. Fast FCS experiments require parallel data acquisition and analysis which can be achieved by exploiting a multi-channel Single Photon Avalanche Diode (SPAD) array and a corresponding multi-input correlator. This paper reports a 32-channel FPGA based correlator able to perform 32 auto/cross-correlations simultaneously over a lag-time ranging from 10 ns up to 150 ms. The correlator is included in a 32 × 1 SPAD array module, providing a compact and flexible instrument for high throughput FCS experiments. However, some inherent features of SPAD arrays, namely afterpulsing and optical crosstalk effects, may introduce distortions in the measurement of auto- and cross-correlation functions. We investigated these limitations to assess their impact on the module and evaluate possible workarounds.

  14. A 32-channel photon counting module with embedded auto/cross-correlators for real-time parallel fluorescence correlation spectroscopy

    International Nuclear Information System (INIS)

    Gong, S.; Labanca, I.; Rech, I.; Ghioni, M.

    2014-01-01

    Fluorescence correlation spectroscopy (FCS) is a well-established technique to study binding interactions or the diffusion of fluorescently labeled biomolecules in vitro and in vivo. Fast FCS experiments require parallel data acquisition and analysis which can be achieved by exploiting a multi-channel Single Photon Avalanche Diode (SPAD) array and a corresponding multi-input correlator. This paper reports a 32-channel FPGA based correlator able to perform 32 auto/cross-correlations simultaneously over a lag-time ranging from 10 ns up to 150 ms. The correlator is included in a 32 × 1 SPAD array module, providing a compact and flexible instrument for high throughput FCS experiments. However, some inherent features of SPAD arrays, namely afterpulsing and optical crosstalk effects, may introduce distortions in the measurement of auto- and cross-correlation functions. We investigated these limitations to assess their impact on the module and evaluate possible workarounds

  15. Identification of Serine Conformers by Matrix-Isolation IR Spectroscopy Aided by Near-Infrared Laser-Induced Conformational Change, 2D Correlation Analysis, and Quantum Mechanical Anharmonic Computations.

    Science.gov (United States)

    Najbauer, Eszter E; Bazsó, Gábor; Apóstolo, Rui; Fausto, Rui; Biczysko, Malgorzata; Barone, Vincenzo; Tarczay, György

    2015-08-20

    The conformers of α-serine were investigated by matrix-isolation IR spectroscopy combined with NIR laser irradiation. This method, aided by 2D correlation analysis, enabled unambiguously grouping the spectral lines to individual conformers. On the basis of comparison of at least nine experimentally observed vibrational transitions of each conformer with empirically scaled (SQM) and anharmonic (GVPT2) computed IR spectra, six conformers were identified. In addition, the presence of at least one more conformer in Ar matrix was proved, and a short-lived conformer with a half-life of (3.7 ± 0.5) × 10(3) s in N2 matrix was generated by NIR irradiation. The analysis of the NIR laser-induced conversions revealed that the excitation of the stretching overtone of both the side chain and the carboxylic OH groups can effectively promote conformational changes, but remarkably different paths were observed for the two kinds of excitations.

  16. Oxygen measurement by multimode diode lasers employing gas correlation spectroscopy.

    Science.gov (United States)

    Lou, Xiutao; Somesfalean, Gabriel; Chen, Bin; Zhang, Zhiguo

    2009-02-10

    Multimode diode laser (MDL)-based correlation spectroscopy (COSPEC) was used to measure oxygen in ambient air, thereby employing a diode laser (DL) having an emission spectrum that overlaps the oxygen absorption lines of the A band. A sensitivity of 700 ppm m was achieved with good accuracy (2%) and linearity (R(2)=0.999). For comparison, measurements of ambient oxygen were also performed by tunable DL absorption spectroscopy (TDLAS) technique employing a vertical cavity surface emitting laser. We demonstrate that, despite slightly degraded sensitivity, the MDL-based COSPEC-based oxygen sensor has the advantages of high stability, low cost, ease-of-use, and relaxed requirements in component selection and instrument buildup compared with the TDLAS-based instrument.

  17. Detection of elemental mercury by multimode diode laser correlation spectroscopy.

    Science.gov (United States)

    Lou, Xiutao; Somesfalean, Gabriel; Svanberg, Sune; Zhang, Zhiguo; Wu, Shaohua

    2012-02-27

    We demonstrate a method for elemental mercury detection based on correlation spectroscopy employing UV laser radiation generated by sum-frequency mixing of two visible multimode diode lasers. Resonance matching of the multimode UV laser is achieved in a wide wavelength range and with good tolerance for various operating conditions. Large mode-hops provide an off-resonance baseline, eliminating interferences from other gas species with broadband absorption. A sensitivity of 1 μg/m3 is obtained for a 1-m path length and 30-s integration time. The performance of the system shows promise for mercury monitoring in industrial applications.

  18. Electron correlation effects in XUV photoabsorption spectroscopy of atoms

    International Nuclear Information System (INIS)

    Codling, K.

    1976-01-01

    Reference is made to sophisticated experiments involving the measurement of the angular distribution of photo-ejected electrons, coincidence electrons and ion spectroscopy, which can only be interpreted in terms of electron correlation effects. After an introductory review of previous work, the lectures fall under the following headings: experimental procedures (light sources, monochromators, absorption cells, limitations on the simple photoasbsorption experiment, and complementary techniques); experimental results (discrete states in the continuum, gross features in the photoionisation continuum (rare gases, alkalis, alkaline earths, rare earths, transition elements)). (U.K.)

  19. Multiview Bayesian Correlated Component Analysis

    DEFF Research Database (Denmark)

    Kamronn, Simon Due; Poulsen, Andreas Trier; Hansen, Lars Kai

    2015-01-01

    are identical. Here we propose a hierarchical probabilistic model that can infer the level of universality in such multiview data, from completely unrelated representations, corresponding to canonical correlation analysis, to identical representations as in correlated component analysis. This new model, which...... we denote Bayesian correlated component analysis, evaluates favorably against three relevant algorithms in simulated data. A well-established benchmark EEG data set is used to further validate the new model and infer the variability of spatial representations across multiple subjects....

  20. Center Line Slope Analysis in Two-Dimensional Electronic Spectroscopy

    OpenAIRE

    ?anda, Franti?ek; Perl?k, V?clav; Lincoln, Craig N.; Hauer, J?rgen

    2015-01-01

    Center line slope (CLS) analysis in 2D infrared spectroscopy has been extensively used to extract frequency?frequency correlation functions of vibrational transitions. We apply this concept to 2D electronic spectroscopy, where CLS is a measure of electronic gap fluctuations. The two domains, infrared and electronic, possess differences: In the infrared, the frequency fluctuations are classical, often slow and Gaussian. In contrast, electronic spectra are subject to fast spectral diffusion and...

  1. Scanning, non-contact, hybrid broadband diffuse optical spectroscopy and diffuse correlation spectroscopy system.

    Science.gov (United States)

    Johansson, Johannes D; Mireles, Miguel; Morales-Dalmau, Jordi; Farzam, Parisa; Martínez-Lozano, Mar; Casanovas, Oriol; Durduran, Turgut

    2016-02-01

    A scanning system for small animal imaging using non-contact, hybrid broadband diffuse optical spectroscopy (ncDOS) and diffuse correlation spectroscopy (ncDCS) is presented. The ncDOS uses a two-dimensional spectrophotometer retrieving broadband (610-900 nm) spectral information from up to fifty-seven source-detector distances between 2 and 5 mm. The ncDCS data is simultaneously acquired from four source-detector pairs. The sample is scanned in two dimensions while tracking variations in height. The system has been validated with liquid phantoms, demonstrated in vivo on a human fingertip during an arm cuff occlusion and on a group of mice with xenoimplanted renal cell carcinoma.

  2. Point-point and point-line moving-window correlation spectroscopy and its applications

    Science.gov (United States)

    Zhou, Qun; Sun, Suqin; Zhan, Daqi; Yu, Zhiwu

    2008-07-01

    In this paper, we present a new extension of generalized two-dimensional (2D) correlation spectroscopy. Two new algorithms, namely point-point (P-P) correlation and point-line (P-L) correlation, have been introduced to do the moving-window 2D correlation (MW2D) analysis. The new method has been applied to a spectral model consisting of two different processes. The results indicate that P-P correlation spectroscopy can unveil the details and re-constitute the entire process, whilst the P-L can provide general feature of the concerned processes. Phase transition behavior of dimyristoylphosphotidylethanolamine (DMPE) has been studied using MW2D correlation spectroscopy. The newly proposed method verifies that the phase transition temperature is 56 °C, same as the result got from a differential scanning calorimeter. To illustrate the new method further, a lysine and lactose mixture has been studied under thermo perturbation. Using the P-P MW2D, the Maillard reaction of the mixture was clearly monitored, which has been very difficult using conventional display of FTIR spectra.

  3. Two-dimensional fluorescence lifetime correlation spectroscopy. 2. Application.

    Science.gov (United States)

    Ishii, Kunihiko; Tahara, Tahei

    2013-10-03

    In the preceding article, we introduced the theoretical framework of two-dimensional fluorescence lifetime correlation spectroscopy (2D FLCS). In this article, we report the experimental implementation of 2D FLCS. In this method, two-dimensional emission-delay correlation maps are constructed from the photon data obtained with the time-correlated single photon counting (TCSPC), and then they are converted to 2D lifetime correlation maps by the inverse Laplace transform. We develop a numerical method to realize reliable transformation, employing the maximum entropy method (MEM). We apply the developed actual 2D FLCS to two real systems, a dye mixture and a DNA hairpin. For the dye mixture, we show that 2D FLCS is experimentally feasible and that it can identify different species in an inhomogeneous sample without any prior knowledge. The application to the DNA hairpin demonstrates that 2D FLCS can disclose microsecond spontaneous dynamics of biological molecules in a visually comprehensible manner, through identifying species as unique lifetime distributions. A FRET pair is attached to the both ends of the DNA hairpin, and the different structures of the DNA hairpin are distinguished as different fluorescence lifetimes in 2D FLCS. By constructing the 2D correlation maps of the fluorescence lifetime of the FRET donor, the equilibrium dynamics between the open and the closed forms of the DNA hairpin is clearly observed as the appearance of the cross peaks between the corresponding fluorescence lifetimes. This equilibrium dynamics of the DNA hairpin is clearly separated from the acceptor-missing DNA that appears as an isolated diagonal peak in the 2D maps. The present study clearly shows that newly developed 2D FLCS can disclose spontaneous structural dynamics of biological molecules with microsecond time resolution.

  4. Transfer of spectral weight in spectroscopies of correlated electron systems

    International Nuclear Information System (INIS)

    Rozenberg, M.J.; Kotliar, G.; Kajueter, H.

    1996-01-01

    We study the transfer of spectral weight in the photoemission and optical spectra of strongly correlated electron systems. Within the local impurity self-consistent approximation, that becomes exact in the limit of large lattice coordination, we consider and compare two models of correlated electrons, the Hubbard model and the periodic Anderson model. The results are discussed in regard to recent experiments. In the Hubbard model, we predict an anomalous enhancement optical spectral weight as a function of temperature in the correlated metallic state which is in qualitative agreement with optical measurements in V 2 O 3 . We argue that anomalies observed in the spectroscopy of the metal are connected to the proximity to a crossover region in the phase diagram of the model. In the insulating phase, we obtain excellent agreement with the experimental data, and present a detailed discussion on the role of magnetic frustration by studying the k-resolved single-particle spectra. The results for the periodic Anderson model are discussed in connection to recent experimental data of the Kondo insulators Ce 3 Bi 4 Pt 3 and FeSi. The model can successfully explain the thermal filling of the optical gap and the corresponding changes in the photoemission density of states. The temperature dependence of the optical sum rule is obtained, and its relevance to the interpretation of the experimental data discussed. Finally, we argue that the large scattering rate measured in Kondo insulators cannot be described by the periodic Anderson model. copyright 1996 The American Physical Society

  5. Gas detection by correlation spectroscopy employing a multimode diode laser.

    Science.gov (United States)

    Lou, Xiutao; Somesfalean, Gabriel; Zhang, Zhiguo

    2008-05-01

    A gas sensor based on the gas-correlation technique has been developed using a multimode diode laser (MDL) in a dual-beam detection scheme. Measurement of CO(2) mixed with CO as an interfering gas is successfully demonstrated using a 1570 nm tunable MDL. Despite overlapping absorption spectra and occasional mode hops, the interfering signals can be effectively excluded by a statistical procedure including correlation analysis and outlier identification. The gas concentration is retrieved from several pair-correlated signals by a linear-regression scheme, yielding a reliable and accurate measurement. This demonstrates the utility of the unsophisticated MDLs as novel light sources for gas detection applications.

  6. Split and delay photon correlation spectroscopy with a visible light

    International Nuclear Information System (INIS)

    Rasch, Marten

    2016-04-01

    The development and performance of a setup constructed with the aim for the split pulse photon correlation spectroscopy is presented in this thesis. The double pulse time structure is accomplished with help of an Acusto-Optic Modulator (AOM) crystal, which mimics the splitting and delaying of photon pulses. The setup provides double pulses and allows to control the pulse width and delay and to synchronize them into one camera exposure window. The performance of the setup was successfully verified in a proof of principle experiment with a model system of polystyrene particles following Brownian motion. The measured radius of particles obtained with from the split pulse experiment (R h =(2.567±0.097) μm) is in agreement with the particle size provided by the manufacturer (R=(2.26±0.08) μm). The achieved results show higher statistics compared to a standard Dynamic Light Scattering (DLS) measurement.

  7. Correlation analysis of expressions of PTEN and p53 with the value obtained by magnetic resonance spectroscopy and apparent diffusion coefficient in the tumor and the tumor-adjacent area in magnetic resonance imaging for glioblastoma.

    Science.gov (United States)

    Li, Yunyun; Ji, Feng; Jiang, Yuzhi; Zhao, Ting; Xu, Chongfu

    2018-01-01

    To explore the correlation of the expression levels of phosphate and tension homology deleted on chromosome ten (PTEN) and p53 of glioblastoma multiforme (GBM) with the value obtained by magnetic resonance spectroscopy (MRS) and apparent diffusion coefficient (ADC) in the tumor and the tumor-adjacent area in magnetic resonance imaging (MRI). A total of 38 patients were operated for GBM. All the patients had received diffusion-weighted imaging (DWI) and MRS prior to surgery. ADC of water molecules and values of metabolite indexes of MRS, including n-acetyl aspartate (NAA), choline (Cho) and creatine (Cr), were recorded, and the ratios of Cho/NAA, Cho/Cr and NAA/Cr were calculated. Hematoxylin-eosin (H&E) staining was done to examine the morphology of tumor and of tumor-adjacent tissues; immunohistochemistry (IHC) was performed to examine the expressions of PTEN and p53 in the tumor and the tumor-adjacent area. Finally, the correlations of the expressions of PTEN and p53 with ADC, Cho/NAA, Cho/Cr and NAA/Cr of the tumor and the tumor-adjacent area were analyzed. H&E staining showed that GBM tissues had disordered morphology, different sizes of cells, large cell nuclei and significant cell heterogeneity. IHC indicated that the expression level of p53 protein in the tumor was significantly higher than in the tumor-adjacent tissues (pCorrelation analysis indicated that PTEN levels in the tumor and the tumor-adjacent area were positively correlated with ADC in the corresponding area, while p53 in the tumor and the tumor-adjacent area was negatively correlated with ADC in the corresponding area. Cho/NAA and Cho/Cr in the tumor were positively correlated with p53 in the tumor, but negatively correlated with PTEN in the tumor. However, NAA/Cr of the tumor was irrelevant to the levels of PTEN and p53. The test results of DWI and MRS of patients with GBM can accurately reflect the inactivation or mutation of PTEN and p53.

  8. Intermittency analysis of correlated data

    International Nuclear Information System (INIS)

    Wosiek, B.

    1992-01-01

    We describe the method of the analysis of the dependence of the factorial moments on the bin size in which the correlations between the moments computed for different bin sizes are taken into account. For large multiplicity nucleus-nucleus data inclusion of the correlations does not change the values of the slope parameter, but gives errors significantly reduced as compared to the case of fits with no correlations. (author)

  9. Establishing the diffuse correlation spectroscopy signal relationship with blood flow.

    Science.gov (United States)

    Boas, David A; Sakadžić, Sava; Selb, Juliette; Farzam, Parisa; Franceschini, Maria Angela; Carp, Stefan A

    2016-07-01

    Diffuse correlation spectroscopy (DCS) measurements of blood flow rely on the sensitivity of the temporal autocorrelation function of diffusively scattered light to red blood cell (RBC) mean square displacement (MSD). For RBCs flowing with convective velocity [Formula: see text], the autocorrelation is expected to decay exponentially with [Formula: see text], where [Formula: see text] is the delay time. RBCs also experience shear-induced diffusion with a diffusion coefficient [Formula: see text] and an MSD of [Formula: see text]. Surprisingly, experimental data primarily reflect diffusive behavior. To provide quantitative estimates of the relative contributions of convective and diffusive movements, we performed Monte Carlo simulations of light scattering through tissue of varying vessel densities. We assumed laminar vessel flow profiles and accounted for shear-induced diffusion effects. In agreement with experimental data, we found that diffusive motion dominates the correlation decay for typical DCS measurement parameters. Furthermore, our model offers a quantitative relationship between the RBC diffusion coefficient and absolute tissue blood flow. We thus offer, for the first time, theoretical support for the empirically accepted ability of the DCS blood flow index ([Formula: see text]) to quantify tissue perfusion. We find [Formula: see text] to be linearly proportional to blood flow, but with a proportionality modulated by the hemoglobin concentration and the average blood vessel diameter.

  10. Transient nutation electron spin resonance spectroscopy on spin-correlated radical pairs: A theoretical analysis on hyperfine-induced nuclear modulations

    Science.gov (United States)

    Weber, Stefan; Kothe, Gerd; Norris, James R.

    1997-04-01

    The influence of anisotropic hyperfine interaction on transient nutation electron paramagnetic resonance (EPR) of light-induced spin-correlated radical pairs is studied theoretically using the density operator formalism. Analytical expressions for the time evolution of the transient EPR signal during selective microwave excitation of single transitions are derived for a model system comprised of a weakly coupled radical pair and one hyperfine-coupled nucleus with I=1/2. Zero-quantum electron coherence and single-quantum nuclear coherence are created as a result of the sudden light-induced generation of the radical pair state from a singlet-state precursor. Depending on the relative sizes of the nuclear Zeeman frequency and the secular and pseudo-secular parts of the hyperfine coupling, transitions between levels with different nuclear spin orientations are predicted to modulate the time-dependent EPR signal. These modulations are in addition to the well-known transient nutations and electron zero-quantum precessions. Our calculations provide insight into the mechanism of recent experimental observations of coherent nuclear modulations in the time-resolved EPR signals of doublets and radical pairs. Two distinct mechanisms of the modulations are presented for various microwave magnetic field strengths. The first modulation scheme arises from electron and nuclear coherences initiated by the laser excitation pulse and is "read out" by the weak microwave magnetic field. While the relative modulation depth of these oscillations with respect to the signal intensity is independent of the Rabi frequency, ω1, the frequencies of this coherence phenomenon are modulated by the effective microwave amplitude and determined by the nuclear Zeeman interaction and hyperfine coupling constants as well as the electron-electron spin exchange and dipolar interactions between the two radical pair halves. In a second mechanism the modulations are both created and detected by the microwave

  11. Correlation between near infrared spectroscopy and electrical techniques in measuring skin moisture content

    International Nuclear Information System (INIS)

    Mohamad, M; Sabbri, A R M; Jafri, M Z Mat; Omar, A F

    2014-01-01

    Near infrared (NIR) spectroscopy technique serves as an important tool for the measurement of moisture content of skin owing to the advantages it has over the other techniques. The purpose of the study is to develop a correlation between NIR spectrometer with electrical conventional techniques for skin moisture measurement. A non-invasive measurement of moisture content of skin was performed on different part of human face and hand under control environment (temperature 21 ± 1 °C, relative humidity 45 ± 5 %). Ten healthy volunteers age between 21-25 (male and female) participated in this study. The moisture content of skin was measured using DermaLab ® USB Moisture Module, Scalar Moisture Checker and NIR spectroscopy (NIRQuest). Higher correlation was observed between NIRQuest and Dermalab moisture probe with a coefficient of determination (R 2 ) above 70 % for all the subjects. However, the value of R 2 between NIRQuest and Moisture Checker was observed to be lower with the R 2 values ranges from 51.6 to 94.4 %. The correlation of NIR spectroscopy technique successfully developed for measuring moisture content of the skin. The analysis of this correlation can help to establish novel instruments based on an optical system in clinical used especially in the dermatology field

  12. Study on Angelica and its different extracts by Fourier transform infrared spectroscopy and two-dimensional correlation IR spectroscopy

    Science.gov (United States)

    Liu, Hong-xia; Sun, Su-qin; Lv, Guang-hua; Chan, Kelvin K. C.

    2006-05-01

    In order to develop a rapid and effective analysis method for studying integrally the main constituents in the medicinal materials and their extracts, discriminating the extracts from different extraction process, comparing the categories of chemical constituents in the different extracts and monitoring the qualities of medicinal materials, we applied Fourier transform infrared spectroscopy (FT-IR) associated with second derivative infrared spectroscopy and two-dimensional correlation infrared spectroscopy (2D-IR) to study the main constituents in traditional Chinese medicine Angelica and its different extracts (extracted by petroleum ether, ethanol and water in turn). The findings indicated that FT-IR spectrum can provide many holistic variation rules of chemical constituents. Use of the macroscopical fingerprint characters of FT-IR and 2D-IR spectrum can not only identify the main chemical constituents in medicinal materials and their different extracts, but also compare the components differences among the similar samples. This analytical method is highly rapid, effective, visual and accurate for pharmaceutical research.

  13. Theory of L -edge spectroscopy of strongly correlated systems

    Science.gov (United States)

    Lüder, Johann; Schött, Johan; Brena, Barbara; Haverkort, Maurits W.; Thunström, Patrik; Eriksson, Olle; Sanyal, Biplab; Di Marco, Igor; Kvashnin, Yaroslav O.

    2017-12-01

    X-ray absorption spectroscopy measured at the L edge of transition metals (TMs) is a powerful element-selective tool providing direct information about the correlation effects in the 3 d states. The theoretical modeling of the 2 p →3 d excitation processes remains to be challenging for contemporary ab initio electronic structure techniques, due to strong core-hole and multiplet effects influencing the spectra. In this work, we present a realization of the method combining the density-functional theory with multiplet ligand field theory, proposed in Haverkort et al. [Phys. Rev. B 85, 165113 (2012), 10.1103/PhysRevB.85.165113]. In this approach, a single-impurity Anderson model (SIAM) is constructed, with almost all parameters obtained from first principles, and then solved to obtain the spectra. In our implementation, we adopt the language of the dynamical mean-field theory and utilize the local density of states and the hybridization function, projected onto TM 3 d states, in order to construct the SIAM. The developed computational scheme is applied to calculate the L -edge spectra for several TM monoxides. A very good agreement between the theory and experiment is found for all studied systems. The effect of core-hole relaxation, hybridization discretization, possible extensions of the method as well as its limitations are discussed.

  14. Photoacoustic Spectroscopy Analysis of Traditional Chinese Medicine

    Science.gov (United States)

    Chen, Lu; Zhao, Bin-xing; Xiao, Hong-tao; Tong, Rong-sheng; Gao, Chun-ming

    2013-09-01

    Chinese medicine is a historic cultural legacy of China. It has made a significant contribution to medicine and healthcare for generations. The development of Chinese herbal medicine analysis is emphasized by the Chinese pharmaceutical industry. This study has carried out the experimental analysis of ten kinds of Chinese herbal powder including Fritillaria powder, etc., based on the photoacoustic spectroscopy (PAS) method. First, a photoacoustic spectroscopy system was designed and constructed, especially a highly sensitive solid photoacoustic cell was established. Second, the experimental setup was verified through the characteristic emission spectrum of the light source, obtained by using carbon as a sample in the photoacoustic cell. Finally, as the photoacoustic spectroscopy analysis of Fritillaria, etc., was completed, the specificity of the Chinese herb medicine analysis was verified. This study shows that the PAS can provide a valid, highly sensitive analytical method for the specificity of Chinese herb medicine without preparing and damaging samples.

  15. Correlation of proton MR spectroscopy of primary intracranial tumours and histopathological findings: preliminarily findings

    International Nuclear Information System (INIS)

    Mandel, C.; Birchall, D.; Ellison, D.; Crawford, P.J.

    2002-01-01

    consistently raised in tumours, with elevated Cho:Crnormal and Cho:Chnormal constant findings. Preliminary analysis indicates that the tumoral Cho:Cr and Cho:NAA ratios demonstrate the closest correlation to histological grade. Full statistical analysis will be presented. Proton MR spectroscopy is a useful adjunct to the investigation of primary intracranial tumours. It is in a relatively early phase of clinical validation, but has the potential for use as a form of non-invasive biopsy in selected patients. Copyright (2002) Blackwell Science Pty Ltd

  16. Assessment of sacrococcygeal pressure ulcers using diffuse correlation spectroscopy

    Science.gov (United States)

    Diaz, David; Lafontant, Alec; Neidrauer, Michael; Weingarten, Michael S.; DiMaria-Ghalili, Rose Ann; Fried, Guy W.; Rece, Julianne; Lewin, Peter A.; Zubkov, Leonid

    2016-03-01

    Microcirculation is essential for proper supply of oxygen and nutritive substances to the biological tissue and the removal of waste products of metabolism. The determination of microcirculatory blood flow (mBF) is therefore of substantial interest to clinicians for assessing tissue health; particularly in pressure ulceration and suspected deep tissue injury. The goal of this pilot clinical study was to assess deep-tissue pressure ulceration by non-invasively measuring mBF using Diffuse Correlation Spectroscopy (DCS). DCS provides information about the flow of red blood cells in the capillary network by measuring the temporal autocorrelation function of scattering light intensity. A novel optical probe was developed in order to obtain measurements under the load of the subject's body as pressure is applied (ischemia) and then released (reperfusion) on sacrococcygeal tissue in a hospital bed. Prior to loading measurements, baseline readings of the sacral region were obtained by measuring the subjects in a side-lying position. DCS measurements from the sacral region of twenty healthy volunteers have been compared to those of two patients who initially had similar non-blanchable redness. The temporal autocorrelation function of scattering light intensity of the patient whose redness later disappeared was similar to that of the average healthy subject. The second patient, whose redness developed into an advanced pressure ulcer two weeks later, had a substantial decrease in blood flow while under the loading position compared to healthy subjects. Preliminary results suggest the developed system may potentially predict whether non-blanchable redness will manifest itself as advanced ulceration or dissipate over time.

  17. Femtosecond spectroscopy in semiconductors: a key to coherences, correlations and quantum kinetics

    International Nuclear Information System (INIS)

    Axt, V M; Kuhn, T

    2004-01-01

    The application of femtosecond spectroscopy to the study of ultrafast dynamics in semiconductor materials and nanostructures is reviewed with particular emphasis on the physics that can be learned from it. Excitation with ultrashort optical pulses in general results in the creation of coherent superpositions and correlated many-particle states. The review comprises a discussion of the dynamics of this correlated many-body system during and after pulsed excitation as well as its analysis by means of refined measurements and advanced theories. After an introduction of basic concepts-such as coherence, correlation and quantum kinetics-a brief overview of the most important experimental techniques and theoretical approaches is given. The remainder of this paper is devoted to specific results selected in order to highlight how femtosecond spectroscopy gives access to the physics of coherences, correlations and quantum kinetics involving charge, spin and lattice degrees of freedom. First examples deal with the dynamics of basic laser-induced coherences that can be observed, e.g. in quantum beat spectroscopy, in coherent control measurements or in experiments using few-cycle pulses. The phenomena discussed here are basic in the sense that they can be understood to a large extent on the mean-field level of the theory. Nevertheless, already on this level it is found that semiconductors behave substantially differently from atomic systems. Subsequent sections report on the occurrence of coherences and correlations beyond the mean-field level that are mediated either by carrier-phonon or carrier-carrier interactions. The corresponding analysis gives deep insight into fundamental issues such as the energy-time uncertainty, pure dephasing in quantum dot structures, the role of two-pair or even higher correlations and the build-up of screening. Finally results are presented concerning the ultrafast dynamics of resonantly coupled excitations, where a combination of different

  18. XAFS Spectroscopy : Fundamental Principles and Data Analysis

    NARCIS (Netherlands)

    Koningsberger, D.C.; Mojet, B.L.; Dorssen, G.E. van; Ramaker, D.E.

    2000-01-01

    The physical principles of XAFS spectroscopy are given at a sufficiently basic level to enable scientists working in the field of catalysis to critically evaluate articles dealing with XAFS studies on catalytic materials. The described data-analysis methods provide the basic tools for studying the

  19. Reduced density-matrix functional theory: Correlation and spectroscopy.

    Science.gov (United States)

    Di Sabatino, S; Berger, J A; Reining, L; Romaniello, P

    2015-07-14

    In this work, we explore the performance of approximations to electron correlation in reduced density-matrix functional theory (RDMFT) and of approximations to the observables calculated within this theory. Our analysis focuses on the calculation of total energies, occupation numbers, removal/addition energies, and spectral functions. We use the exactly solvable Hubbard dimer at 1/4 and 1/2 fillings as test systems. This allows us to analyze the underlying physics and to elucidate the origin of the observed trends. For comparison, we also report the results of the GW approximation, where the self-energy functional is approximated, but no further hypothesis is made concerning the approximations of the observables. In particular, we focus on the atomic limit, where the two sites of the dimer are pulled apart and electrons localize on either site with equal probability, unless a small perturbation is present: this is the regime of strong electron correlation. In this limit, using the Hubbard dimer at 1/2 filling with or without a spin-symmetry-broken ground state allows us to explore how degeneracies and spin-symmetry breaking are treated in RDMFT. We find that, within the used approximations, neither in RDMFT nor in GW, the signature of strong correlation is present, when looking at the removal/addition energies and spectral function from the spin-singlet ground state, whereas both give the exact result for the spin-symmetry broken case. Moreover, we show how the spectroscopic properties change from one spin structure to the other.

  20. Slow dynamics in an azopolymer molecular layer studied by x-ray photon correlation spectroscopy

    International Nuclear Information System (INIS)

    Orsi, D.; Fluerasu, A.; Cristofolini, L.; Fontana, M.P.; Pontecorvo, E.; Caronna, C.; Zontone, F.; Madsen, A.

    2010-01-01

    We report the results of x-ray photon correlation spectroscopy (XPCS) experiments on multilayers of a photosensitive azo-polymer which can be softened by photoisomerization. Time correlation functions have been measured at different temperatures and momentum transfers (q) and under different illumination conditions (dark, UV or visible). The correlation functions are well described by the Kohlrausch-Williams-Watts (KWW) form with relaxation times that are proportional to q -1 . The characteristic relaxation times follow the same Vogel-Fulcher-Tammann law describing the bulk viscosity of this polymer. The out-of-equilibrium relaxation dynamics following a UV photoperturbation are accelerated, which is in agreement with a fluidification effect previously measured by rheology. The transient dynamics are characterized by two times correlation function, and dynamical heterogeneity is evidenced by calculating the variance χ of the degree of correlation as a function of ageing time. A clear peak in χ appears at a well defined time τ C which scales with q -1 and with the ageing time, in a similar fashion as previously reported in colloidal suspensions (O. Dauchot et al. Phys. Rev. Lett. 95 265701 (2005)). From an accurate analysis of the correlation functions we could demonstrate a temperature and light dependent cross-over from compressed KWW to simple exponential behavior.

  1. Spectroscopy

    DEFF Research Database (Denmark)

    Berg, Rolf W.

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

  2. Combined IR-Raman vs vibrational sum-frequency heterospectral correlation spectroscopy

    Science.gov (United States)

    Roy, Sandra; Beutier, Clémentine; Hore, Dennis K.

    2018-06-01

    Vibrational sum-frequency generation spectroscopy is a valuable probe of surface structure, particularly when the same molecules are present in one of the adjacent bulk solid or solution phases. As a result of the non-centrosymmetric requirement of SFG, the signal generated is a marker of the extent to which the molecules are ordered in an arrangement that breaks the up-down symmetry at the surface. In cases where the accompanying changes in the bulk are of interest in understanding and interpreting the surface structure, simultaneous analysis of the bulk IR absorption or bulk Raman scattering is helpful, and may be used in heterospectral surface-bulk two-dimensional correlation. We demonstrate that, in such cases, generating a new type of bulk spectrum that combines the IR and Raman amplitudes is a better candidate than the individual IR and Raman spectra for the purpose of correlation with the SFG signal.

  3. A method of Moessbauer Fourier spectroscopy for determination of the biopolimer coordinate correlation functions

    International Nuclear Information System (INIS)

    Basovets, S.K.; Krupyanskij, Yu.F.; Kurinov, I.V.; Suzdalev, I.P.; Goldanskij, V.I.; Uporov, I.V.; Shaitan, K.V.; Rubin, A.B.

    1988-01-01

    A method of Moessbauer Fourier spectroscopy is developed to determine the correlation function of coordinates of a macromolecular system. The method does not require the use of an a priori dynamic model. The application of the method to the analysis of RSMR data for human serum albumin has demonstrated considerable changes in the dynamic behavior of the protein globule when the temperature is changed from 270 to 310 K. The main conclusions of the present work is the simultaneous observation of low-frequency (τ≥10 -9 sec) and high-frequency (τ -9 sec) large-scaled motions, that is the two-humped distribution of correlation times of protein motions. (orig.)

  4. Absolute choline concentration measured by quantitative proton MR spectroscopy correlates with cell density in meningioma

    Energy Technology Data Exchange (ETDEWEB)

    Yue, Qiang [University of Tsukuba, Department of Neurosurgery, Institute of Clinical Medicine, Tsukuba Science City, Ibaraki (Japan)]|[West China Hospital of Sichuan University, Huaxi MR Research Center, Department of Radiology, Chengdu (China); Shibata, Yasushi; Kawamura, Hiraku; Matsumura, Akira [University of Tsukuba, Department of Neurosurgery, Institute of Clinical Medicine, Tsukuba Science City, Ibaraki (Japan); Isobe, Tomonori [Kitasato University, Department of Medical Technology, School of Allied Health Sciences, Minato, Tokyo (Japan); Anno, Izumi [University of Tsukuba, Department of Radiology, Institute of Clinical Medicine, Tsukuba, Ibaraki (Japan); Gong, Qi-Yong [West China Hospital of Sichuan University, Huaxi MR Research Center, Department of Radiology, Chengdu (China)]|[University of Liverpool, Division of Medical Imaging, Faculty of Medicine, Liverpool (United Kingdom)

    2009-01-15

    This study was aimed to investigate the relationship between quantitative proton magnetic resonance spectroscopy (1H-MRS) and pathological changes in meningioma. Twenty-two meningioma cases underwent single voxel 1H-MRS (point-resolved spectroscopy sequence, repetition time/echo time = 2,000 ms/68, 136, 272 ms). Absolute choline (Cho) concentration was calculated using tissue water as the internal reference and corrected according to intra-voxel cystic/necrotic parts. Pathological specimens were stained with MIB-1 antibody to measure cell density and proliferation index. Correlation analysis was performed between absolute Cho concentration and cell density and MIB-1 labeled proliferation index. Average Cho concentration of all meningiomas before correction was 2.95 {+-} 0.86 mmol/kg wet weight. It was increased to 3.23 {+-} 1.15 mmol/kg wet weight after correction. Average cell density of all meningiomas was 333 {+-} 119 cells/HPF, and average proliferation index was 2.93 {+-} 5.72%. A linear, positive correlation between cell density and Cho concentration was observed (r = 0.650, P = 0.001). After correction of Cho concentration, the correlation became more significant (r = 0.737, P < 0.001). However, no significant correlation between Cho concentration and proliferation index was found. There seemed to be a positive correlation trend after correction of Cho concentration but did not reach significant level. Absolute Cho concentration, especially Cho concentration corrected according to intra-voxel cystic/necrotic parts, reflects cell density of meningioma. (orig.)

  5. Generalized canonical correlation analysis with missing values

    NARCIS (Netherlands)

    M. van de Velden (Michel); Y. Takane

    2012-01-01

    textabstractGeneralized canonical correlation analysis is a versatile technique that allows the joint analysis of several sets of data matrices. The generalized canonical correlation analysis solution can be obtained through an eigenequation and distributional assumptions are not required. When

  6. The Correlation Between Dislocations and Vacancy Defects Using Positron Annihilation Spectroscopy

    Science.gov (United States)

    Pang, Jinbiao; Li, Hui; Zhou, Kai; Wang, Zhu

    2012-07-01

    An analysis program for positron annihilation lifetime spectra is only applicable to isolated defects, but is of no use in the presence of defective correlations. Such limitations have long caused problems for positron researchers in their studies of complicated defective systems. In order to solve this problem, we aim to take a semiconductor material, for example, to achieve a credible average lifetime of single crystal silicon under plastic deformation at different temperatures using positron life time spectroscopy. By establishing reasonable positron trapping models with defective correlations and sorting out four lifetime components with multiple parameters, as well as their respective intensities, information is obtained on the positron trapping centers, such as the positron trapping rates of defects, the density of the dislocation lines and correlation between the dislocation lines, and the vacancy defects, by fitting with the average lifetime with the aid of Matlab software. These results give strong grounds for the existence of dislocation-vacancy correlation in plastically deformed silicon, and lay a theoretical foundation for the analysis of positron lifetime spectra when the positron trapping model involves dislocation-related defects.

  7. Spectroscopy: Developments in instrumentation and analysis

    Directory of Open Access Journals (Sweden)

    Dardenne, Pierre

    2002-03-01

    Full Text Available This review presents the characteristics, advantages, limits and potential of three spectroscopic techniques: near-infrared spectroscopy (NIR, mid-infrared spectroscopy (MIR and Raman spectroscopy. The theoretical aspects related with these techniques, the information that can supplied and the main features of the instrumentation are presented and briefly discussed. The last part of the review concerns the application of the spectroscopy to food analysis, with special emphasis on the lipid analysis. The illustrations and examples have been chosen to demonstrate the importance of spectroscopic techniques both in process (on-line control and in laboratories for the analysis of major or minor compounds.Este artículo de revisión presenta las características, ventajas, límites y potencial de tres técnicas espectroscópicas: las espectroscopias del infrarrojo cercano, del medio infrarrojo y Raman. Se presentan, y discuten brevemente, los aspectos teóricos relacionados con estas técnicas, la información que pueden suministrar, y las principales características de la instrumentación. La última parte de la revisión esta dedicada a las aplicaciones de la espectroscopia en análisis de alimentos, con especial énfasis en análisis de lípidos. La ilustraciones y los ejemplos se han elegido para demostrar la importancia de las técnicas espectroscópicas en los procesos en-línea y en los laboratorios en el análisis de componentes mayoritarios y minoritarios.

  8. Analysis of preservative-treated wood by multivariate analysis of laser-induced breakdown spectroscopy spectra

    International Nuclear Information System (INIS)

    Martin, Madhavi Z.; Labbe, Nicole; Rials, Timothy G.; Wullschleger, Stan D.

    2005-01-01

    In this work, multivariate statistical analysis (MVA) techniques are coupled with laser-induced breakdown spectroscopy (LIBS) to identify preservative types (chromated copper arsenate, ammoniacal copper zinc or alkaline copper quat), and to predict elemental content in preservative-treated wood. The elemental composition of the samples was measured with a standard laboratory method of digestion followed by atomic absorption spectroscopy analysis. The elemental composition was then correlated with the LIBS spectra using projection to latent structures (PLS) models. The correlations for the different elements introduced by different treatments were very strong, with the correlation coefficients generally above 0.9. Additionally, principal component analysis (PCA) was used to differentiate the samples treated with different preservative formulations. The research has focused not only on demonstrating the application of LIBS as a tool for use in the forest products industry, but also considered sampling errors, limits of detection, reproducibility, and accuracy of measurements as they relate to multivariate analysis of this complex wood substrate

  9. Analysis of preservative-treated wood by multivariate analysis of laser-induced breakdown spectroscopy spectra

    Energy Technology Data Exchange (ETDEWEB)

    Martin, Madhavi Z. [Environmental Sciences Division Oak Ridge National Laboratory, P.O. Box 2008 MS 6422, Oak Ridge TN 37831-6422 (United States); Labbe, Nicole [Forest Products Center, University of Tennessee, 2506 Jacob Drive, Knoxville, TN 37996-4570 (United States)]. E-mail: nlabbe@utk.edu; Rials, Timothy G. [Forest Products Center, University of Tennessee, 2506 Jacob Drive, Knoxville, TN 37996-4570 (United States); Wullschleger, Stan D. [Environmental Sciences Division Oak Ridge National Laboratory, P.O. Box 2008 MS 6422, Oak Ridge TN 37831-6422 (United States)

    2005-08-31

    In this work, multivariate statistical analysis (MVA) techniques are coupled with laser-induced breakdown spectroscopy (LIBS) to identify preservative types (chromated copper arsenate, ammoniacal copper zinc or alkaline copper quat), and to predict elemental content in preservative-treated wood. The elemental composition of the samples was measured with a standard laboratory method of digestion followed by atomic absorption spectroscopy analysis. The elemental composition was then correlated with the LIBS spectra using projection to latent structures (PLS) models. The correlations for the different elements introduced by different treatments were very strong, with the correlation coefficients generally above 0.9. Additionally, principal component analysis (PCA) was used to differentiate the samples treated with different preservative formulations. The research has focused not only on demonstrating the application of LIBS as a tool for use in the forest products industry, but also considered sampling errors, limits of detection, reproducibility, and accuracy of measurements as they relate to multivariate analysis of this complex wood substrate.

  10. Correlation Spectroscopy of Surfaces, Thin Films, and Nanostructures

    CERN Document Server

    Berakdar, Jamal

    2004-01-01

    Here, leading scientists present an overview of the most modern experimental and theoretical methods for studying electronic correlations on surfaces, in thin films and in nanostructures. In particular, they describe in detail coincidence techniques for studying many-particle correlations while. critically examining the informational content of such processes from a theoretical point viewpoint. Furthermore, the book considers the current state of incorporating many-body effects into theoretical approaches. Covered topics:. -Auger-electron photoelectron coincidence experiments and theories. -Co

  11. Analysis of biological tissues by Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Bonkova, I.; Bujdos, M.; Miglierini, M.

    2016-01-01

    The aim of this work was to analyze of biological tissues by Moessbauer spectroscopy in terms of demonstration of the magnetic properties of iron and its structural positions. Lyophilized samples of the human brain, human and equine spleen were used for the analysis. The samples were measured with 57 Fe Moessbauer spectroscopy in transmission arrangement at room temperature (∼ 300 K) and at a temperature of liquid helium (4.2 K). The resulting Moessbauer spectra measured at room temperature had doublet character, which confirms the presence of non-magnetic particles. On the contrary, low-temperature measurements are a superposition of several sextet and one duplicate. Hyperfine parameters obtained are similar to those reported hematite, ferrihydrite or magnetite. (authors)

  12. Confined detection volume of fluorescence correlation spectroscopy by bare fiber probes.

    Science.gov (United States)

    Lu, Guowei; Lei, Franck H; Angiboust, Jean-François; Manfait, Michel

    2010-04-01

    A fiber-tip-based near-field fluorescence correlation spectroscopy (FCS) has been developed for confining the detection volume to sub-diffraction-limited dimensions. This near-field FCS is based on near-field illumination by coupling a scanning near-field optical microscope (SNOM) to a conventional confocal FCS. Single-molecule FCS analysis at 100 nM Rhodamine 6G has been achieved by using bare chemically etched, tapered fiber tips. The detection volume under control of the SNOM system has been reduced over one order of magnitude compared to that of the conventional confocal FCS. Related factors influencing the near-field FCS performance are investigated and discussed in detail. In this proof-of-principle study, the preliminary experimental results suggest that the fiber-tip-based near-field FCS might be a good alternative to realize localized analysis at the single-molecule level.

  13. 1H-15N correlation spectroscopy of nanocrystalline proteins

    International Nuclear Information System (INIS)

    Morcombe, Corey R.; Paulson, Eric K.; Gaponenko, Vadim; Byrd, R. Andrew; Zilm, Kurt W.

    2005-01-01

    The limits of resolution that can be obtained in 1 H- 15 N 2D NMR spectroscopy of isotopically enriched nanocrystalline proteins are explored. Combinations of frequency switched Lee-Goldburg (FSLG) decoupling, fast magic angle sample spinning (MAS), and isotopic dilution via deuteration are investigated as methods for narrowing the amide 1 H resonances. Heteronuclear decoupling of 15 N from the 1 H resonances is also studied. Using human ubiquitin as a model system, the best resolution is most easily obtained with uniformly 2 H and 15 N enriched protein where the amides have been exchanged in normal water, MAS at ∼20 kHz, and WALTZ-16 decoupling of the 15 N nuclei. The combination of these techniques results in average 1 H lines of only ∼0.26 ppm full width at half maximum. Techniques for optimizing instrument stability and 15 N decoupling are described for achieving the best possible performance in these experiments

  14. Magnetic resonance spectroscopy of normal appearing white matter in early relapsing-remitting multiple sclerosis: correlations between disability and spectroscopy

    Directory of Open Access Journals (Sweden)

    Foronda Jesus

    2004-06-01

    Full Text Available Abstract Background What currently appears to be irreversible axonal loss in normal appearing white matter, measured by proton magnetic resonance spectroscopy is of great interest in the study of Multiple Sclerosis. Our aim is to determine the axonal damage in normal appearing white matter measured by magnetic resonance spectroscopy and to correlate this with the functional disability measured by Multiple Sclerosis Functional Composite scale, Neurological Rating Scale, Ambulation Index scale, and Expanded Disability Scale Score. Methods Thirty one patients (9 male and 22 female with relapsing remitting Multiple Sclerosis and a Kurtzke Expanded Disability Scale Score of 0–5.5 were recruited from four hospitals in Andalusia, Spain and included in the study. Magnetic resonance spectroscopy scans and neurological disability assessments were performed the same day. Results A statistically significant correlation was found (r = -0.38 p Conclusions There is correlation between disability (measured by Expanded Disability Scale Score and the NAA/Cr ratio in normal appearing white matter. The lack of correlation between the NAA/Cr ratio and the Multiple Sclerosis Functional Composite score indicates that the Multiple Sclerosis Functional Composite is not able to measure irreversible disability and would be more useful as a marker in stages where axonal damage is not a predominant factor.

  15. Functional Multiple-Set Canonical Correlation Analysis

    Science.gov (United States)

    Hwang, Heungsun; Jung, Kwanghee; Takane, Yoshio; Woodward, Todd S.

    2012-01-01

    We propose functional multiple-set canonical correlation analysis for exploring associations among multiple sets of functions. The proposed method includes functional canonical correlation analysis as a special case when only two sets of functions are considered. As in classical multiple-set canonical correlation analysis, computationally, the…

  16. Peculiarities of plasma homeostasis in the patients with rectal cancer according to laser correlation spectroscopy findings

    International Nuclear Information System (INIS)

    Byilenko, O.A.; Bazhora, Yu.Yi.; Sokolov, V.M.; Andronov, D.Yu.

    1997-01-01

    Laser correlation spectroscopy was used to investigate plasma homeostasis in 82 patients with rectal cancer. The spectra of the blood plasma from 21 donors of the transfusion station were used as the control. The blood plasma homeostasis changes reheated with laser correlation spectrometry in the patients with rectal cancer allow to use them for diagnosis of this pathology

  17. Superheavy-element spectroscopy: Correlations along element 115 decay chains

    Science.gov (United States)

    Rudolph, D.; Forsberg, U.; Sarmiento, L. G.; Golubev, P.; Fahlander, C.

    2016-05-01

    Following a brief summary of the region of the heaviest atomic nuclei yet created in the laboratory, data on more than hundred α-decay chains associated with the production of element 115 are combined to investigate time and energy correlations along the observed decay chains. Several of these are analysed using a new method for statistical assessments of lifetimes in sets of decay chains.

  18. Two-dimensional optical correlation spectroscopy applied to liquid/glass dynamics

    OpenAIRE

    Lazonder, Kees; Pshenichnikov, Maxim S.; Wiersma, Douwe A.; Corkum, Paul; Jonas, David M.; Miller, R.J. Dwayne.; Weiner, Andrew M.

    2007-01-01

    Correlation spectroscopy was used to study the effects of temperature and phase changes on liquid and glass solvent dynamics. By assessing the eccentricity of the elliptic shape of a 2D optical correlation spectrum the value of the underlying frequency-frequency correlation function can be retrieved through a very simple relationship. This method yielded both intuitive clues and a quantitative measure of the dynamics of the system.

  19. Fluorescence Spectroscopy Applied to Monitoring Biodiesel Degradation: Correlation with Acid Value and UV Absorption Analyses.

    Science.gov (United States)

    Vasconcelos, Maydla Dos Santos; Passos, Wilson Espíndola; Lescanos, Caroline Honaiser; Pires de Oliveira, Ivan; Trindade, Magno Aparecido Gonçalves; Caires, Anderson Rodrigues Lima; Muzzi, Rozanna Marques

    2018-01-01

    The techniques used to monitor the quality of the biodiesel are intensely discussed in the literature, partly because of the different oil sources and their intrinsic physicochemical characteristics. This study aimed to monitor the thermal degradation of the fatty acid methyl esters of Sesamum indicum L. and Raphanus sativus L. biodiesels (SILB and RSLB, resp.). The results showed that both biodiesels present a high content of unsaturated fatty acids, ∼84% (SILB) and ∼90% (RSLB). The SILB had a high content of polyunsaturated linoleic fatty acid (18  :  2), about 49%, and the oleic monounsaturated (18  :  1), ∼34%. On the other hand, RSLB presented a considerable content of linolenic fatty acid (18  :  3), ∼11%. The biodiesel samples were thermal degraded at 110°C for 48 hours, and acid value, UV absorption, and fluorescence spectroscopy analysis were carried out. The results revealed that both absorption and fluorescence presented a correlation with acid value as a function of degradation time by monitoring absorptions at 232 and 270 nm as well as the emission at 424 nm. Although the obtained correlation is not completely linear, a direct correlation was observed in both cases, revealing that both properties can be potentially used for monitoring the biodiesel degradation.

  20. Fluorescence Spectroscopy Applied to Monitoring Biodiesel Degradation: Correlation with Acid Value and UV Absorption Analyses

    Directory of Open Access Journals (Sweden)

    Maydla dos Santos Vasconcelos

    2018-01-01

    Full Text Available The techniques used to monitor the quality of the biodiesel are intensely discussed in the literature, partly because of the different oil sources and their intrinsic physicochemical characteristics. This study aimed to monitor the thermal degradation of the fatty acid methyl esters of Sesamum indicum L. and Raphanus sativus L. biodiesels (SILB and RSLB, resp.. The results showed that both biodiesels present a high content of unsaturated fatty acids, ∼84% (SILB and ∼90% (RSLB. The SILB had a high content of polyunsaturated linoleic fatty acid (18  :  2, about 49%, and the oleic monounsaturated (18  :  1, ∼34%. On the other hand, RSLB presented a considerable content of linolenic fatty acid (18  :  3, ∼11%. The biodiesel samples were thermal degraded at 110°C for 48 hours, and acid value, UV absorption, and fluorescence spectroscopy analysis were carried out. The results revealed that both absorption and fluorescence presented a correlation with acid value as a function of degradation time by monitoring absorptions at 232 and 270 nm as well as the emission at 424 nm. Although the obtained correlation is not completely linear, a direct correlation was observed in both cases, revealing that both properties can be potentially used for monitoring the biodiesel degradation.

  1. Correlating the amount of urea, creatinine, and glucose in urine from patients with diabetes mellitus and hypertension with the risk of developing renal lesions by means of Raman spectroscopy and principal component analysis

    Science.gov (United States)

    Bispo, Jeyse Aliana Martins; de Sousa Vieira, Elzo Everton; Silveira, Landulfo; Fernandes, Adriana Barrinha

    2013-08-01

    Patients with diabetes mellitus and hypertension (HT) diseases are predisposed to kidney diseases. The objective of this study was to identify potential biomarkers in the urine of diabetic and hypertensive patients through Raman spectroscopy in order to predict the evolution to complications and kidney failure. Urine samples were collected from control subjects (CTR) and patients with diabetes and HT with no complications (lower risk, LR), high degree of complications (higher risk, HR), and doing blood dialysis (DI). Urine samples were stored frozen (-20°C) before spectral analysis. Raman spectra were obtained using a dispersive spectrometer (830-nm, 300-mW power, and 20-s accumulation). Spectra were then submitted to principal component analysis (PCA) followed by discriminant analysis. The first PCA loading vectors revealed spectral features of urea, creatinine, and glucose. It has been found that the amounts of urea and creatinine decreased as disease evoluted from CTR to LR/HR and DI (PC1, p<0.05), and the amount of glucose increased in the urine of LR/HR compared to CTR (PC3, p<0.05). The discriminating model showed better overall classification rate of 70%. These results could lead to diagnostic information of possible complications and a better disease prognosis.

  2. Fluorescence correlation spectroscopy: Ultrasensitive detection in clear and turbid media

    Science.gov (United States)

    Tahari, Abdel Kader

    In this work, I describe the development of a simple, inexpensive, and powerful alternative technique to detect and analyze, without enrichment, extremely low concentrations of cells, bacteria, viruses, and protein aggregates in turbid fluids for clinical and biotechnological applications. The anticipated applications of this technique are many. They range from the determination of the somatic cell count in milk for the dairy industry, to the enumeration and characterization of microorganisms in environmental microbiology and the food industry, and to the fast and ultrasensitive detection of protein aggregates for the diagnosis of Alzheimer's and other neurodegenerative diseases in clinical medicine. A prototype instrument has been built and allowed the detection and quantification of particles down to a few per milliliter in short scanning times. It consists of a small microscope that has a horizontal geometry and a mechanical instrument that holds a cylindrical cuvette (1 cm in diameter) with two motors that provide a rotational and a slower vertical inversion motions. The illumination focus is centered about 200 mum from the wall of the cuvette inside the sample. The total volume that is explored is large (˜1ml/min for bright particles). The data is analyzed with a correlation filter program based on particle passage pattern recognition. I will also describe further work on improving the sensitivity of the technique, expanding it for multiple-species discrimination and enumeration, and testing the prototype device in actual clinical and biotechnological applications. The main clinical application of this project seeks to establish conditions and use this new technique to quantify and size-analyze oligomeric complexes of the Alzheimer's disease beta-peptide in cerebrospinal fluid and other body fluids as a molecular biomarker for persons at risk of Alzheimer's disease dementia. The technology could potentially be extended to the diagnosis and therapeutic

  3. Neural correlates of belief-bias reasoning under time pressure: a near-infrared spectroscopy study.

    Science.gov (United States)

    Tsujii, Takeo; Watanabe, Shigeru

    2010-04-15

    The dual-process theory of reasoning explained the belief-bias effect, the tendency for human reasoning to be erroneously biased when logical conclusions are incongruent with belief about the world, by proposing a belief-based fast heuristic system and a logic-based slow analytic system. Although the claims were supported by behavioral findings that the belief-bias effect was enhanced when subjects were not given sufficient time for reasoning, the neural correlates were still unknown. The present study therefore examined the relationship between the time-pressure effect and activity in the inferior frontal cortex (IFC) during belief-bias reasoning using near-infrared spectroscopy (NIRS). Forty-eight subjects performed congruent and incongruent reasoning tasks, involving long-span (20 s) and short-span trials (10 s). Behavioral analysis found that only incongruent reasoning performance was impaired by the time-pressure of short-span trials. NIRS analysis found that the time-pressure decreased right IFC activity during incongruent trials. Correlation analysis showed that subjects with enhanced right IFC activity could perform better in incongruent trials, while subjects for whom the right IFC activity was impaired by the time-pressure could not maintain better reasoning performance. These findings suggest that the right IFC may be responsible for the time-pressure effect in conflicting reasoning processes. When the right IFC activity was impaired in the short-span trials in which subjects were not given sufficient time for reasoning, the subjects may rely on the fast heuristic system, which result in belief-bias responses. We therefore offer the first demonstration of neural correlates of time-pressure effect on the IFC activity in belief-bias reasoning. Copyright 2009 Elsevier Inc. All rights reserved.

  4. NMR spectroscopy: a tool for conformational analysis

    International Nuclear Information System (INIS)

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

    2011-01-01

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

  5. Quantitative analysis by nuclear magnetic resonance spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Wainai, T; Mashimo, K [Nihon Univ., Tokyo. Coll. of Science and Engineering

    1976-04-01

    Recent papers on the practical quantitative analysis by nuclear magnetic resonance spectroscopy (NMR) are reviewed. Specifically, the determination of moisture in liquid N/sub 2/O/sub 4/ as an oxidizing agent for rocket propulsion, the analysis of hydroperoxides, the quantitative analysis using a shift reagent, the analysis of aromatic sulfonates, and the determination of acids and bases are reviewed. Attention is paid to the accuracy. The sweeping velocity and RF level in addition to the other factors must be on the optimal condition to eliminate the errors, particularly when computation is made with a machine. Higher sweeping velocity is preferable in view of S/N ratio, but it may be limited to 30 Hz/s. The relative error in the measurement of area is generally 1%, but when those of dilute concentration and integrated, the error will become smaller by one digit. If impurities are treated carefully, the water content on N/sub 2/O/sub 4/ can be determined with accuracy of about 0.002%. The comparison method between peak heights is as accurate as that between areas, when the uniformity of magnetic field and T/sub 2/ are not questionable. In the case of chemical shift movable due to content, the substance can be determined by the position of the chemical shift. Oil and water contents in rape-seed, peanuts, and sunflower-seed are determined by measuring T/sub 1/ with 90 deg pulses.

  6. Skin biochemical composition analysis by Raman spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Oliveira, Patricia Karen; Tosato, Maira Gaspar; Alves, Rani de Souza; Martin, Airton Abrahao; Favero, Priscila Pereira; Raniero, Leandro, E-mail: amartin@univap.br [Laboratorio de Espectroscopia Vibracional Biomedica, Instituto de Pesquisa e Desenvolvimento - IP e D, Universidade do Vale do Paraiba - UniVap, Sao Jose dos Campos, SP (Brazil)

    2012-09-15

    Skin aging is characterized by cellular and molecular alterations. In this context, Confocal Raman spectroscopy was used in vivo to measure these biochemical changes as function of the skin depth. In this study we have tried to correlate spectra from pure amino acids to in vivo spectra from volunteers with different ages. This study was performed on 32 volunteers: 11 from Group A (20-23 years), 11 from Group B (39-42 years) and 10 from Group C (59-62 years). For each group, the Raman spectra were measured on the surface (0 mm), 30 +- 3 mm and 60 +- 3 {mu}m below the surface. The results from intergroup comparisons showed that the oldest group had a prevalence of the tyrosine band, but it also presented a decrease in the band centered at 875 cm{sup -1} of pyrrolidone acid. The amide I band centered at 1637 cm{sup -1} that is attributed to collagen, as well as other proteins and lipid, showed a smaller amount of these biomolecules for Group C, which can be explained by the decrease in collagen concentration as a function of age. (author)

  7. On the performance of bioanalytical fluorescence correlation spectroscopy measurements in a multiparameter photon-counting microscope

    Energy Technology Data Exchange (ETDEWEB)

    Mazouchi, Amir; Liu Baoxu; Bahram, Abdullah [Department of Physics, Institute for Optical Sciences, University of Toronto, Toronto (Canada); Department of Chemical and Physical Sciences, University of Toronto Mississauga, 3359 Mississauga Rd. N., Mississauga, ON, L5L 1C6 (Canada); Gradinaru, Claudiu C., E-mail: claudiu.gradinaru@utoronto.ca [Department of Physics, Institute for Optical Sciences, University of Toronto, Toronto (Canada); Department of Chemical and Physical Sciences, University of Toronto Mississauga, 3359 Mississauga Rd. N., Mississauga, ON, L5L 1C6 (Canada)

    2011-02-28

    Fluorescence correlation spectroscopy (FCS) data acquisition and analysis routines were developed and implemented in a home-built, multiparameter photon-counting microscope. Laser excitation conditions were investigated for two representative fluorescent probes, Rhodamine110 and enhanced green fluorescent protein (EGFP). Reliable local concentrations and diffusion constants were obtained by fitting measured FCS curves, provided that the excitation intensity did not exceed 20% of the saturation level for each fluorophore. Accurate results were obtained from FCS measurements for sample concentrations varying from pM to {mu}M range, as well as for conditions of high background signals. These experimental constraints were found to be determined by characteristics of the detection system and by the saturation behavior of the fluorescent probes. These factors actually limit the average number of photons that can be collected from a single fluorophore passing through the detection volume. The versatility of our setup and the data analysis capabilities were tested by measuring the mobility of EGFP in the nucleus of Drosophila cells under conditions of high concentration and molecular crowding. As a bioanalytical application, we studied by FCS the binding affinity of a novel peptide-based drug to the cancer-regulating STAT3 protein and corroborated the results with fluorescence polarization analysis derived from the same photon data.

  8. Commercial counterboard for 10 ns software correlator for photon and fluorescence correlation spectroscopy

    Science.gov (United States)

    Molteni, Matteo; Ferri, Fabio

    2016-11-01

    A 10 ns time resolution, multi-tau software correlator, capable of computing simultaneous autocorrelation (A-A, B-B) and cross (A-B) correlation functions at count rates up to ˜10 MHz, with no data loss, has been developed in LabVIEW and C++ by using the National Instrument timer/counterboard (NI PCIe-6612) and a fast Personal Computer (PC) (Intel Core i7-4790 Processor 3.60 GHz ). The correlator works by using two algorithms: for large lag times (τ ≳ 1 μs), a classical time-mode scheme, based on the measure of the number of pulses per time interval, is used; differently, for τ ≲ 1 μs a photon-mode (PM) scheme is adopted and the correlation function is retrieved from the sequence of the photon arrival times. Single auto- and cross-correlation functions can be processed online in full real time up to count rates of ˜1.8 MHz and ˜1.2 MHz, respectively. Two autocorrelation (A-A, B-B) and a cross correlation (A-B) functions can be simultaneously processed in full real time only up to count rates of ˜750 kHz. At higher count rates, the online processing takes place in a delayed modality, but with no data loss. When tested with simulated correlation data and latex spheres solutions, the overall performances of the correlator appear to be comparable with those of commercial hardware correlators, but with several nontrivial advantages related to its flexibility, low cost, and easy adaptability to future developments of PC and data acquisition technology.

  9. Quantification of leakage from large unilamellar lipid vesicles by fluorescence correlation spectroscopy

    DEFF Research Database (Denmark)

    Kristensen, Kasper; Henriksen, Jonas Rosager; Andresen, Thomas Lars

    2014-01-01

    Fluorescence correlation spectroscopy (FCS) is a powerful experimental technique that in recent years has found numerous applications for studying biological phenomena. In this article, we scrutinize one of these applications, namely, FCS as a technique for studying leakage of fluorescent molecul...

  10. Analysis of human nails by laser-induced breakdown spectroscopy

    Science.gov (United States)

    Hosseinimakarem, Zahra; Tavassoli, Seyed Hassan

    2011-05-01

    Laser-induced breakdown spectroscopy (LIBS) is applied to analyze human fingernails using nanosecond laser pulses. Measurements on 45 nail samples are carried out and 14 key species are identified. The elements detected with the present system are: Al, C, Ca, Fe, H, K, Mg, N, Na, O, Si, Sr, Ti as well as CN molecule. Sixty three emission lines have been identified in the spectrum that are dominated by calcium lines. A discriminant function analysis is used to discriminate among different genders and age groups. This analysis demonstrates efficient discrimination among these groups. The mean concentration of each element is compared between different groups. Correlation between concentrations of elements in fingernails is calculated. A strong correlation is found between sodium and potassium while calcium and magnesium levels are inversely correlated. A case report on high levels of sodium and potassium in patients with hyperthyroidism is presented. It is shown that LIBS could be a promising technique for the analysis of nails and therefore identification of health problems.

  11. Second Harmonic Correlation Spectroscopy: Theory and Principles for Determining Surface Binding Kinetics.

    Science.gov (United States)

    Sly, Krystal L; Conboy, John C

    2017-06-01

    A novel application of second harmonic correlation spectroscopy (SHCS) for the direct determination of molecular adsorption and desorption kinetics to a surface is discussed in detail. The surface-specific nature of second harmonic generation (SHG) provides an efficient means to determine the kinetic rates of adsorption and desorption of molecular species to an interface without interference from bulk diffusion, which is a significant limitation of fluorescence correlation spectroscopy (FCS). The underlying principles of SHCS for the determination of surface binding kinetics are presented, including the role of optical coherence and optical heterodyne mixing. These properties of SHCS are extremely advantageous and lead to an increase in the signal-to-noise (S/N) of the correlation data, increasing the sensitivity of the technique. The influence of experimental parameters, including the uniformity of the TEM00 laser beam, the overall photon flux, and collection time are also discussed, and are shown to significantly affect the S/N of the correlation data. Second harmonic correlation spectroscopy is a powerful, surface-specific, and label-free alternative to other correlation spectroscopic methods for examining surface binding kinetics.

  12. Radiation damage analysis by positron annihilation spectroscopy

    International Nuclear Information System (INIS)

    Siegel, R.W.

    1982-01-01

    Positron annihilation spectroscopy (PAS) has in recent years become a valuable new tool for investigating defects in metals. The ability of the positron to localize in a trapped state at various defect sites, in which the positron annihilates with unique characteristics, has enabled the positron to be used as a localized probe of these defect sites. Several reviews of the application of PAS to the study of defects in metals have been published, as have more general treatises on the applications of positron annihilation to the study of solids. PAS has made, and has considerably greater potential for, a significant contribution to radiation damage analysis in two areas of importance: (1) the determination of atomic-defect properties, a knowledge of which is necessary for the modeling required to couple the results of model experiments using electron and ion irradiation with the expected irradiation conditions of reactor systems, and (2) the monitoring and characterization of irradiation-induced microstructure development. A unique aspect of PAS for radiation damage analysis is the defect specificity of the annihilation characteristics of a trapped positron. In addition to its value as an independent analytical tool, PAS can be a useful complement to more traditional techniques for defect studies

  13. Discrimination of different red wine by Fourier-transform infrared and two-dimensional infrared correlation spectroscopy

    Science.gov (United States)

    Zhang, Yan-ling; Chen, Jian-bo; Lei, Yu; Zhou, Qun; Sun, Su-qin; Noda, Isao

    2010-06-01

    Fourier-transform infrared spectroscopy (FT-IR) and two-dimensional infrared (2D IR) correlation spectroscopy were applied to analyze main components of liquid red wine with different sugar contents and volatilization residues of dry red wine from different manufactures. The infrared spectra, second derivative spectra of dry red wine show the typical peaks of alcohol, while the spectra of sweet wine are composed of the peaks of both alcohol and sugar, and the contribution of sugar enhanced as the increase of sugar content. Using principal component analysis (PCA) method, dry and sweet wine can be readily classified. Analysis of the infrared spectra of the volatilization residues of dry red wine samples from five different manufactures indicates that dry red wine may be composed of glycerol, carboxylic acids or esters and carboxyl ate, at the same time, different dry red wine show different characteristic peaks in the second derivative spectra and 2D IR correlation spectra, which can be used to discriminate the different manufactures and evaluate the quality of wine samples. The results suggested that infrared spectroscopy is a direct and effective method for the analysis of principle components of different red wines and discrimination of different red wines.

  14. SO2 EMISSION MEASUREMENT BY DOAS (DIFFERENTIAL OPTICAL ABSORPTION SPECTROSCOPY AND COSPEC (CORRELATION SPECTROSCOPY AT MERAPI VOLCANO (INDONESIA

    Directory of Open Access Journals (Sweden)

    Hanik Humaida

    2010-06-01

    Full Text Available The SO2 is one of the volcanic gases that can use as indicator of volcano activity. Commonly, SO2 emission is measured by COSPEC (Correlation Spectroscopy. This equipment has several disadvantages; such as heavy, big in size, difficulty in finding spare part, and expensive. DOAS (Differential Optical Absorption Spectroscopy is a new method for SO2 emission measurement that has advantages compares to the COSPEC. Recently, this method has been developed. The SO2 gas emission measurement of Gunung Merapi by DOAS has been carried out at Kaliadem, and also by COSPEC method as comparation. The differences of the measurement result of both methods are not significant. However, the differences of minimum and maximum result of DOAS method are smaller than that of the COSPEC. It has range between 51 ton/day and 87 ton/day for DOAS and 87 ton/day and 201 ton/day for COSPEC. The measurement of SO2 gas emission evaluated with the seismicity data especially the rockfall showed the presence of the positive correlation. It may cause the gas pressure in the subsurface influencing instability of 2006 eruption lava.   Keywords: SO2 gas, Merapi, DOAS, COSPEC

  15. Determining the static electronic and vibrational energy correlations via two-dimensional electronic-vibrational spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Dong, Hui; Lewis, Nicholas H. C.; Oliver, Thomas A. A.; Fleming, Graham R., E-mail: grfleming@lbl.gov [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, Californial 94720 (United States); Kavli Energy NanoSciences Institute at Berkeley, Berkeley, California 94720 (United States)

    2015-05-07

    Changes in the electronic structure of pigments in protein environments and of polar molecules in solution inevitably induce a re-adaption of molecular nuclear structure. Both changes of electronic and vibrational energies can be probed with visible or infrared lasers, such as two-dimensional electronic spectroscopy or vibrational spectroscopy. The extent to which the two changes are correlated remains elusive. The recent demonstration of two-dimensional electronic-vibrational (2DEV) spectroscopy potentially enables a direct measurement of this correlation experimentally. However, it has hitherto been unclear how to characterize the correlation from the spectra. In this paper, we present a theoretical formalism to demonstrate the slope of the nodal line between the excited state absorption and ground state bleach peaks in the spectra as a characterization of the correlation between electronic and vibrational transition energies. We also show the dynamics of the nodal line slope is correlated to the vibrational spectral dynamics. Additionally, we demonstrate the fundamental 2DEV spectral line-shape of a monomer with newly developed response functions.

  16. Two-dimensional NMR spectroscopy: correlated, homonuclear-correlated, and nuclear Overhauser spectroscopy. January 1975-December 1988 (Citations from the INSPEC: Information Services for the Physics and Engineering Communities data base). Report for January 1975-December 1988

    International Nuclear Information System (INIS)

    1988-12-01

    This bibliography contains citations concerning the enhanced analytical techniques of two-dimensional nuclear magnetic resonance (2-D NMR). Applications to specific molecules, biomolecules, and compounds as well as comparisons of three 2-D NMR techniques: correlated spectroscopy (COSY), nuclear Overhauser (NOSEY), and homonuclear-correlated spectroscopy (HOMCOR). (Contains 190 citations fully indexed and including a title list.)

  17. [Rapid analysis of suppositories by quantitative 1H NMR spectroscopy].

    Science.gov (United States)

    Abramovich, R A; Kovaleva, S A; Goriainov, S V; Vorob'ev, A N; Kalabin, G A

    2012-01-01

    Rapid analysis of suppositories with ibuprofen and arbidol by quantitative 1H NMR spectroscopy was performed. Optimal conditions for the analysis were developed. The results are useful for design of rapid methods for quality control of suppositories with different components

  18. On the use of band-target entropy minimization to simplify the interpretation of two-dimensional correlation spectroscopy.

    Science.gov (United States)

    Widjaja, Effendi; Tan, Boon Hong; Garland, Marc

    2006-03-01

    Two-dimensional (2D) correlation spectroscopy has been extensively applied to analyze various vibrational spectroscopic data, especially infrared and Raman. However, when it is applied to real-world experimental data, which often contains various imperfections (such as noise interference, baseline fluctuations, and band-shifting) and highly overlapping bands, many artifacts and misleading features in synchronous and asynchronous maps will emerge, and this will lead to difficulties with interpretation. Therefore, an approach that counters many artifacts and therefore leads to simplified interpretation of 2D correlation analysis is certainly useful. In the present contribution, band-target entropy minimization (BTEM) is employed as a spectral pretreatment to handle many of the artifact problems before the application of 2D correlation analysis. BTEM is employed to elucidate the pure component spectra of mixtures and their corresponding concentration profiles. Two alternate forms of analysis result. In the first, the normally vxv problem is converted to an equivalent nvxnv problem, where n represents the number of species present. In the second, the pure component spectra are transformed into simple distributions, and an equivalent and less computationally intensive nv'xnv' problem results (v'evaporation study where in situ Fourier transform infrared (FT-IR) spectroscopy is used as the analytical tool.

  19. [Classification of results of studying blood plasma with laser correlation spectroscopy based on semiotics of preclinical and clinical states].

    Science.gov (United States)

    Ternovoĭ, K S; Kryzhanovskiĭ, G N; Musiĭchuk, Iu I; Noskin, L A; Klopov, N V; Noskin, V A; Starodub, N F

    1998-01-01

    The usage of laser correlation spectroscopy for verification of preclinical and clinical states is substantiated. Developed "semiotic" classifier for solving the problems of preclinical and clinical states is presented. The substantiation of biological algorithms as well as the mathematical support and software for the proposed classifier for the data of laser correlation spectroscopy of blood plasma are presented.

  20. Spatio-Temporal Image Correlation Spectroscopy Measurements of Flow Demonstrated in Microfluidic Channels

    Science.gov (United States)

    Rossow, Molly; Mantulin, William W.; Gratton, Enrico

    2009-01-01

    Accurate blood flow measurements during surgery can improve the operations chance of success. We developed Near-infrared Spatio-Temporal Image Spectroscopy (NIR-STICS), which has the potential to make blood flow measurements that are difficult to accomplish with existing methods. Specifically, we propose the technique and we show feasibility on phantom measurements. NIR-STICS has the potential of measuring the fluid velocity in small blood vessels (less than 1mm in diameter) and of creating a map of blood flow rates over an area of approximately 1cm2. NIR-STICS employs near-infrared spectroscopy to probe inside blood vessel walls and spatio-temporal image correlation spectroscopy to directly—without the use of a model—extract fluid velocity from the fluctuations within an image. Here we present computer simulations and experiments on a phantom system that demonstrate the effectiveness of NIR-STICS. PMID:19405744

  1. Spatiotemporal image correlation spectroscopy measurements of flow demonstrated in microfluidic channels

    Science.gov (United States)

    Rossow, Molly; Mantulin, William W.; Gratton, Enrico

    2009-03-01

    Accurate blood flow measurements during surgery can improve an operation's chance of success. We developed near-infrared spatio-temporal image spectroscopy (NIR-STICS), which has the potential to make blood flow measurements that are difficult to accomplish with existing methods. Specifically, we propose the technique and we show feasibility on phantom measurements. NIR-STICS has the potential of measuring the fluid velocity in small blood vessels (less than 1 mm in diameter) and of creating a map of blood flow rates over an area of approximately 1 cm2. NIR-STICS employs near-infrared spectroscopy to probe inside blood vessel walls and spatiotemporal image correlation spectroscopy to directly-without the use of a model-extract fluid velocity from the fluctuations within an image. We present computer simulations and experiments on a phantom system that demonstrate the effectiveness of NIR-STICS.

  2. Detection of structurally similar adulterants in botanical dietary supplements by thin-layer chromatography and surface enhanced Raman spectroscopy combined with two-dimensional correlation spectroscopy.

    Science.gov (United States)

    Li, Hao; Zhu, Qing xia; Chwee, Tsz sian; Wu, Lin; Chai, Yi feng; Lu, Feng; Yuan, Yong fang

    2015-07-09

    Thin-layer chromatography (TLC) coupled with surface enhanced Raman spectroscopy (SERS) has been widely used for the study of various complex systems, especially for the detection of adulterants in botanical dietary supplements (BDS). However, this method is not sufficient to distinguish structurally similar adulterants in BDS since the analogs have highly similar chromatographic and/or spectroscopic behaviors. Taking into account the fact that higher cost and more time will be required for comprehensive chromatographic separation, more efforts with respect to spectroscopy are now focused on analyzing the overlapped SERS peaks. In this paper, the combination of a TLC-SERS method with two-dimensional correlation spectroscopy (2DCOS), with duration of exposure to laser as the perturbation, is applied to solve this problem. Besides the usual advantages of the TLC-SERS method, such as its simplicity, rapidness, and sensitivity, more advantages are presented here, such as enhanced selectivity and good reproducibility, which are obtained by 2DCOS. Two chemicals with similar structures are successfully differentiated from the complex BDS matrices. The study provides a more accurate qualitative screening method for detection of BDS with adulterants, and offers a new universal approach for the analysis of highly overlapped SERS peaks. Copyright © 2015 Elsevier B.V. All rights reserved.

  3. Analysis of sub-nano spaces by positron annihilation spectroscopy

    International Nuclear Information System (INIS)

    Jean, Y.C.; Liu, J.; Huang, C.M.; Dai, G.H.; Yuan, J.P.

    1994-01-01

    Positron annihilation spectroscopy (PAS) has been realized to be a novel and potentially powerful tool to evolve the open spaces in the range 1-20 angstrom in molecular systems. Due to the repulsive force between the positron (the anti-particle of the electron) and the cores, annihilation signals are solely contributed from the open spaces, such as vacancies, holes, and voids in the molecular subtracts under study. By further developing two PAS techniques, positron lifetime (PAL), and angular correlation (ACAR), the authors are able to obtain useful and important information of: hole sizes, distributions, hole fractions, and anisotropic structures at sub-nano scales. Applications of PAS to chemical analysis, surface chemistry of inner pores, and polymer sciences are discussed

  4. Confined diffusion in tubular structures analyzed by fluorescence correlation spectroscopy on a mirror

    International Nuclear Information System (INIS)

    Etienne, Emilien; Lenne, Pierre-Francois; Sturgis, James N.; Rigneault, Herve

    2006-01-01

    In fluorescence correlation spectroscopy (FCS) analysis it is generally assumed that molecular species diffuse freely in volumes much larger than the three-dimensional FCS observation volume. However, this standard assumption is not valid in many measurement conditions, particularly in tubular structures with diameters in the micrometer range, such as those found in living cells (organelles, dendrites) and microfluidic devices (capillaries,reaction chambers). As a result the measured autocorrelation functions (ACFs) deviate from those predicted for free diffusion, and this can shift the measured diffusion coefficient by as much as ∼50% when the tube diameter is comparable with the axial extension of the FCS observation volume. We show that the range of validity of the FCS measurements can be drastically improved if the tubular structures are located in the close vicinity of a mirror on which FCS is performed. In this case a new fluctuation time in the ACF, arising from the diffusion of fluorescent probes in optical fringes,permits measurement of the real diffusion coefficient within the tubular structure without assumptions about either the confined geometry orthe FCS observation volume geometry. We show that such a measurement can be done when the tubular structure contains at least one pair of dark and bright fringes resulting from interference between the incoming and the reflected excitation beams on the mirror surface. Measurement of the diffusion coefficient of the enhanced green fluorescent protein (EGFP) and IscS-EGFP in the cytoplasm of living Escherichiacoli illustrates the capabilities of the technique

  5. Mapping the dynamical organization of the cell nucleus through fluorescence correlation spectroscopy.

    Science.gov (United States)

    Stortz, Martin; Angiolini, Juan; Mocskos, Esteban; Wolosiuk, Alejandro; Pecci, Adali; Levi, Valeria

    2018-05-01

    The hierarchical organization of the cell nucleus into specialized open reservoirs and the nucleoplasm overcrowding impose restrictions to the mobility of biomolecules and their interactions with nuclear targets. These properties determine that many nuclear functions such as transcription, replication, splicing or DNA repair are regulated by complex, dynamical processes that do not follow simple rules. Advanced fluorescence microscopy tools and, in particular, fluorescence correlation spectroscopy (FCS) provide complementary and exquisite information on the dynamics of fluorescent labeled molecules moving through the nuclear space and are helping us to comprehend the complexity of the nuclear structure. Here, we describe how FCS methods can be applied to reveal the dynamical organization of the nucleus in live cells. Specifically, we provide instructions for the preparation of cellular samples with fluorescent tagged proteins and detail how FCS can be easily instrumented in commercial confocal microscopes. In addition, we describe general rules to set the parameters for one and two-color experiments and the required controls for these experiments. Finally, we review the statistical analysis of the FCS data and summarize the use of numerical simulations as a complementary approach that helps us to understand the complex matrix of molecular interactions network within the nucleus. Copyright © 2017 Elsevier Inc. All rights reserved.

  6. Cell cycle-dependent mobility of Cdc45 determined in vivo by fluorescence correlation spectroscopy.

    Directory of Open Access Journals (Sweden)

    Ronan Broderick

    Full Text Available Eukaryotic DNA replication is a dynamic process requiring the co-operation of specific replication proteins. We measured the mobility of eGFP-Cdc45 by Fluorescence Correlation Spectroscopy (FCS in vivo in asynchronous cells and in cells synchronized at the G1/S transition and during S phase. Our data show that eGFP-Cdc45 mobility is faster in G1/S transition compared to S phase suggesting that Cdc45 is part of larger protein complex formed in S phase. Furthermore, the size of complexes containing Cdc45 was estimated in asynchronous, G1/S and S phase-synchronized cells using gel filtration chromatography; these findings complemented the in vivo FCS data. Analysis of the mobility of eGFP-Cdc45 and the size of complexes containing Cdc45 and eGFP-Cdc45 after UVC-mediated DNA damage revealed no significant changes in diffusion rates and complex sizes using FCS and gel filtration chromatography analyses. This suggests that after UV-damage, Cdc45 is still present in a large multi-protein complex and that its mobility within living cells is consistently similar following UVC-mediated DNA damage.

  7. Mapping vortex-like hydrodynamic flow in microfluidic networks using fluorescence correlation spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Ke Liu; Yu Tian; Burrows, Sean M.; Reif, Randall D. [Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, TX 79409-1061 (United States); Pappas, Dimitri, E-mail: d.pappas@ttu.edu [Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, TX 79409-1061 (United States)

    2009-09-28

    The ability to quickly measure flow parameters in microfluidic devices is critical for micro total analysis system ({mu}TAS) applications. Macrofluidic methods to assess flow suffer from limitations that have made conventional methods unsuitable for the flow behavior profiling. Single molecule fluorescence correlation spectroscopy (FCS) has been employed in our study to characterize the fluidic vortex generating at a T-shape junction of microscale channels. Due to its high spatial and temporal resolution, the corresponding magnitudes relative to different flow rates in the main channel can be quantitatively differentiated using flow time ({tau}{sub F}) measurements of dye molecules traversing the detection volume in buffer solution. Despite the parabolic flow in the channel upstream, a heterogeneous distribution of flow has been detected across the channel intersection. In addition, our current observations also confirmed the aspect of vortex-shaped flow in low-shear design that was developed previously for cell culture. This approach not only overcomes many technical barriers for examining hydrodynamic vortices and movements in miniature structures without physically integrating any probes, but it is also especially useful for the hydrodynamic studies in polymer-glass based micro -reactor and -mixer.

  8. Electrohydrodynamic properties of succinoglycan as probed by fluorescence correlation spectroscopy, potentiometric titration and capillary electrophoresis.

    Science.gov (United States)

    Duval, Jérôme F L; Slaveykova, Vera I; Hosse, Monika; Buffle, Jacques; Wilkinson, Kevin J

    2006-10-01

    The electrostatic, hydrodynamic and conformational properties of aqueous solutions of succinoglycan have been analyzed by fluorescence correlation spectroscopy (FCS), proton titration, and capillary electrophoresis (CE) over a large range of pH values and electrolyte (NaCl) concentrations. Using the theoretical formalism developed previously for the electrokinetic properties of soft, permeable particles, a quantitative analysis for the electro-hydrodynamics of succinoglycan is performed by taking into account, in a self-consistent manner, the measured values of the diffusion coefficients, electric charge densities, and electrophoretic mobilities. For that purpose, two limiting conformations for the polysaccharide in solution are tested, i.e. succinoglycan behaves as (i) a spherical, random coil polymer or (ii) a rodlike particle with charged lateral chains. The results show that satisfactory modeling of the titration data for ionic strengths larger than 50 mM can be accomplished using both geometries over the entire range of pH values. Electrophoretic mobilities measured for sufficiently large pH values (pH > 5-6) are in line with predictions based on either model. The best manner to discriminate between these two conceptual models is briefly discussed. For low pH values (pH < 5), both models indicate aggregation, resulting in an increase of the hydrodynamic permeability and a decrease of the diffusion coefficient.

  9. Sensitivity of near-infrared spectroscopy and diffuse correlation spectroscopy to brain hemodynamics: simulations and experimental findings during hypercapnia

    Science.gov (United States)

    Selb, Juliette; Boas, David A.; Chan, Suk-Tak; Evans, Karleyton C.; Buckley, Erin M.; Carp, Stefan A.

    2014-01-01

    Abstract. Near-infrared spectroscopy (NIRS) and diffuse correlation spectroscopy (DCS) are two diffuse optical technologies for brain imaging that are sensitive to changes in hemoglobin concentrations and blood flow, respectively. Measurements for both modalities are acquired on the scalp, and therefore hemodynamic processes in the extracerebral vasculature confound the interpretation of cortical hemodynamic signals. The sensitivity of NIRS to the brain versus the extracerebral tissue and the contrast-to-noise ratio (CNR) of NIRS to cerebral hemodynamic responses have been well characterized, but the same has not been evaluated for DCS. This is important to assess in order to understand their relative capabilities in measuring cerebral physiological changes. We present Monte Carlo simulations on a head model that demonstrate that the relative brain-to-scalp sensitivity is about three times higher for DCS (0.3 at 3 cm) than for NIRS (0.1 at 3 cm). However, because DCS has higher levels of noise due to photon-counting detection, the CNR is similar for both modalities in response to a physiologically realistic simulation of brain activation. Even so, we also observed higher CNR of the hemodynamic response during graded hypercapnia in adult subjects with DCS than with NIRS. PMID:25453036

  10. Sensitivity of near-infrared spectroscopy and diffuse correlation spectroscopy to brain hemodynamics: simulations and experimental findings during hypercapnia.

    Science.gov (United States)

    Selb, Juliette; Boas, David A; Chan, Suk-Tak; Evans, Karleyton C; Buckley, Erin M; Carp, Stefan A

    2014-07-01

    Near-infrared spectroscopy (NIRS) and diffuse correlation spectroscopy (DCS) are two diffuse optical technologies for brain imaging that are sensitive to changes in hemoglobin concentrations and blood flow, respectively. Measurements for both modalities are acquired on the scalp, and therefore hemodynamic processes in the extracerebral vasculature confound the interpretation of cortical hemodynamic signals. The sensitivity of NIRS to the brain versus the extracerebral tissue and the contrast-to-noise ratio (CNR) of NIRS to cerebral hemodynamic responses have been well characterized, but the same has not been evaluated for DCS. This is important to assess in order to understand their relative capabilities in measuring cerebral physiological changes. We present Monte Carlo simulations on a head model that demonstrate that the relative brain-to-scalp sensitivity is about three times higher for DCS (0.3 at 3 cm) than for NIRS (0.1 at 3 cm). However, because DCS has higher levels of noise due to photon-counting detection, the CNR is similar for both modalities in response to a physiologically realistic simulation of brain activation. Even so, we also observed higher CNR of the hemodynamic response during graded hypercapnia in adult subjects with DCS than with NIRS.

  11. Using fluorescence correlation spectroscopy to study conformational changes in denatured proteins.

    Science.gov (United States)

    Sherman, Eilon; Itkin, Anna; Kuttner, Yosef Yehuda; Rhoades, Elizabeth; Amir, Dan; Haas, Elisha; Haran, Gilad

    2008-06-01

    Fluorescence correlation spectroscopy (FCS) is a sensitive analytical tool that allows dynamics and hydrodynamics of biomolecules to be studied under a broad range of experimental conditions. One application of FCS of current interest is the determination of the size of protein molecules in the various states they sample along their folding reaction coordinate, which can be accessed through the measurement of diffusion coefficients. It has been pointed out that the analysis of FCS curves is prone to artifacts that may lead to erroneous size determination. To set the stage for FCS studies of unfolded proteins, we first show that the diffusion coefficients of small molecules as well as proteins can be determined accurately even in the presence of high concentrations of co-solutes that change the solution refractive index significantly. Indeed, it is found that the Stokes-Einstein relation between the measured diffusion coefficient and solution viscosity holds even in highly concentrated glycerol or guanidinium hydrochloride (GuHCl) solutions. These measurements form the basis for an investigation of the structure of the denatured state of two proteins, the small protein L and the larger, three-domain protein adenylate kinase (AK). FCS is found useful for probing expansion in the denatured state beyond the unfolding transition. It is shown that the denatured state of protein L expands as the denaturant concentration increases, in a process akin to the transition from a globule to a coil in polymers. This process continues at least up to 5 M GuHCl. On the other hand, the denatured state of AK does not seem to expand much beyond 2 M GuHCl, a result that is in qualitative accord with single-molecule fluorescence histograms. Because both the unfolding transition and the coil-globule transition of AK occur at a much lower denaturant concentration than those of protein L, a possible correlation between the two phenomena is suggested.

  12. Wilson's disease: 31P and 1H MR spectroscopy and clinical correlation

    International Nuclear Information System (INIS)

    Sinha, Sanjib; Taly, A.B.; Prashanth, L.K.; Ravishankar, S.; Vasudev, M.K.

    2010-01-01

    Proton ( 1 H) magnetic resonance spectroscopy (MRS) changes are noted in Wilson's disease (WD). However, there are no studies regarding membrane phospholipid abnormality using 31 P MRS in these patients. We aimed to analyze the striatal spectroscopic abnormalities using 31 P and 1 H MRS in WD. Forty patients of WD (treated, 29; untreated,11) and 30 controls underwent routine MR image sequences and in vivo 2-D 31 P and 1 H MRS of basal ganglia using an image-selected technique on a 1.5-T MRI scanner. Statistical analysis was done using Student's t test. The mean durations of illness and treatment were 6.2 ± 7.4 and 4.8 ± 5.9 years, respectively. MRI images were abnormal in all the patients. 1 H MRS revealed statistically significant reduction of N-acetyl aspartate (NAA)/choline (Cho) and NAA/creatine ratios in striatum ( 1 H MRS) of treated patients compared to controls. The mean values of phosphomonoesters (PME) (p 31 P MRS study. The duration of illness correlated well with increased PME/PDE [p < 0.001], PME/TPh [p < 0.05], and PDE/TPh [p < 0.05] and decreased NAA/Cho [p < 0.05] ratios. There was correlation of MRI score and reduced NAA/Cho ratio with disease severity. The PME/PDE ratio (right) was elevated in the treated group [p < 0.001] compared to untreated group. There is reduced breakdown and/or increased synthesis of membrane phospholipids and increased neuronal damage in basal ganglia in patients with WD. (orig.)

  13. Structural Analysis of Covariance and Correlation Matrices.

    Science.gov (United States)

    Joreskog, Karl G.

    1978-01-01

    A general approach to analysis of covariance structures is considered, in which the variances and covariances or correlations of the observed variables are directly expressed in terms of the parameters of interest. The statistical problems of identification, estimation and testing of such covariance or correlation structures are discussed.…

  14. Determination of Dynamics of Plant Plasma Membrane Proteins with Fluorescence Recovery and Raster Image Correlation Spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Laňková, Martina; Humpolíčková, Jana; Vosolsobě, S.; Cit, Zdeněk; Lacek, Jozef; Čovan, Martin; Čovanová, Milada; Hof, Martin; Petrášek, Jan

    2016-01-01

    Roč. 22, č. 2 (2016), s. 290-299 ISSN 1431-9276 R&D Projects: GA ČR(CZ) GAP305/11/2476; GA ČR(CZ) GPP501/12/P951 Institutional support: RVO:61389030 ; RVO:61388955 Keywords : raster image correlation spectroscopy * fluorescence recovery after photobleaching * auxin influx Subject RIV: EB - Genetics ; Molecular Biology; CF - Physical ; Theoretical Chemistry (UFCH-W) Impact factor: 1.891, year: 2016

  15. Insight into Resolution Enhancement in Generalized Two-Dimensional Correlation Spectroscopy

    OpenAIRE

    Ma, Lu; Sikirzhytski, Vitali; Hong, Zhenmin; Lednev, Igor K.; Asher, Sanford A.

    2013-01-01

    Generalized two-dimensional correlation spectroscopy (2D COS) can be used to enhance spectral resolution in order to help differentiate highly overlapped spectral bands. Despite the numerous extensive 2D COS investigations, the origin of the 2D spectral resolution enhancement mechanism(s) are not completely understood. In the work here we studied the 2D COS of simulated spectra in order to develop new insights into the dependence of the 2D COS spectral features on the overlapping band separat...

  16. Quantification of transuranic elements by time interval correlation spectroscopy of the detected neutrons

    Science.gov (United States)

    Baeten; Bruggeman; Paepen; Carchon

    2000-03-01

    The non-destructive quantification of transuranic elements in nuclear waste management or in safeguards verifications is commonly performed by passive neutron assay techniques. To minimise the number of unknown sample-dependent parameters, Neutron Multiplicity Counting (NMC) is applied. We developed a new NMC-technique, called Time Interval Correlation Spectroscopy (TICS), which is based on the measurement of Rossi-alpha time interval distributions. Compared to other NMC-techniques, TICS offers several advantages.

  17. The use of photon correlation spectroscopy method for determining diffusion coefficient in brine and herring flesh

    Directory of Open Access Journals (Sweden)

    Shumanova M.V.

    2015-03-01

    Full Text Available The process fish salting has been studied by the method of photon correlation spectroscopy; the distribution of salt concentration in the solution and herring flesh with skin has been found, diffusion coefficients and salt concentrations used for creating a mathematical model of the salting technology have been worked out; the possibility of determination by this method the coefficient of dynamic viscosity of solutions and different media (minced meat etc. has been considered

  18. Data acquisition card for fluctuation correlation spectroscopy allowing full access to the detected photon sequence

    OpenAIRE

    Eid, JS; Muller, JD; Gratton, E

    2000-01-01

    Typically, fluctuation correlation spectroscopy (FCS) data acquisition cards measure the number of photon events per time interval (i.e., bin) - time mode. Commercial FCS cards combine the bins through hardware in order to calculate the autocorrelation function. Such a design therefore does not yield the time resolved photon sequence, but only the autocorrelation of that sequence. A different acquisition method which measures the number of time intervals between photon events has been impleme...

  19. Easy measurement of diffusion coefficients of EGFP-tagged plasma membrane proteins using k-space Image Correlation Spectroscopy

    DEFF Research Database (Denmark)

    Christensen, Eva Arnspang; Koffman, Jennifer Skaarup; Marlar, Saw

    2014-01-01

    Lateral diffusion and compartmentalization of plasma membrane proteins are tightly regulated in cells and thus, studying these processes will reveal new insights to plasma membrane protein function and regulation. Recently, k-Space Image Correlation Spectroscopy (kICS)1 was developed to enable...... routine measurements of diffusion coefficients directly from images of fluorescently tagged plasma membrane proteins, that avoided systematic biases introduced by probe photophysics. Although the theoretical basis for the analysis is complex, the method can be implemented by nonexperts using a freely...... to the correlation function yields the diffusion coefficient. This paper provides a step-by-step guide to the image analysis and measurement of diffusion coefficients via kICS. First, a high frame rate image sequence of a fluorescently labeled plasma membrane protein is acquired using a fluorescence microscope Then...

  20. 2D Vis/NIR correlation spectroscopy of cooked chicken meats

    Science.gov (United States)

    Liu, Yongliang; Chen, Yud-Ren; Ozaki, Yukihiro

    2000-03-01

    Cooking of chicken meats was investigated by the generalized two-dimensional visible/near-infrared (2D Vis/NIR) correlation spectroscopy. Synchronous and asynchronous spectra in the 400-700 nm visible region suggested that the 445 and 560 nm bands be ascribed to deoxymyoglobin and oxymyoglobin, and at least one of the 475, 520, and 585 nm bands is assignable to the denatured species (metmyoglobin). The asynchronous 2D NIR correlation spectrum showed that CH bands change their spectral intensities before the OH/NH groups during the cooking process, indicating that CH fractions are easily oxidized and degraded. In addition, strong correlation peaks were observed correlating the bands in the visible and NIR spectral regions.

  1. General correlation and partial correlation analysis in finding interactions: with Spearman rank correlation and proportion correlation as correlation measures

    OpenAIRE

    WenJun Zhang; Xin Li

    2015-01-01

    Between-taxon interactions can be detected by calculating the sampling data of taxon sample type. In present study, Spearman rank correlation and proportion correlation are chosen as the general correlation measures, and their partial correlations are calculated and compared. The results show that for Spearman rank correlation measure, in all predicted candidate direct interactions by partial correlation, about 16.77% (x, 0-45.4%) of them are not successfully detected by Spearman rank correla...

  2. Generalized canonical correlation analysis with missing values

    NARCIS (Netherlands)

    M. van de Velden (Michel); Y. Takane

    2009-01-01

    textabstractTwo new methods for dealing with missing values in generalized canonical correlation analysis are introduced. The first approach, which does not require iterations, is a generalization of the Test Equating method available for principal component analysis. In the second approach,

  3. Fluorescence correlation spectroscopy and fluorescence cross-correlation spectroscopy reveal the cytoplasmic origination of loaded nuclear RISC in vivo in human cells.

    Science.gov (United States)

    Ohrt, Thomas; Mütze, Jörg; Staroske, Wolfgang; Weinmann, Lasse; Höck, Julia; Crell, Karin; Meister, Gunter; Schwille, Petra

    2008-11-01

    Studies of RNA interference (RNAi) provide evidence that in addition to the well-characterized cytoplasmic mechanisms, nuclear mechanisms also exist. The mechanism by which the nuclear RNA-induced silencing complex (RISC) is formed in mammalian cells, as well as the relationship between the RNA silencing pathways in nuclear and cytoplasmic compartments is still unknown. Here we show by applying fluorescence correlation and cross-correlation spectroscopy (FCS/FCCS) in vivo that two distinct RISC exist: a large approximately 3 MDa complex in the cytoplasm and a 20-fold smaller complex of approximately 158 kDa in the nucleus. We further show that nuclear RISC, consisting only of Ago2 and a short RNA, is loaded in the cytoplasm and imported into the nucleus. The loaded RISC accumulates in the nucleus depending on the presence of a target, based on an miRNA-like interaction with impaired cleavage of the cognate RNA. Together, these results suggest a new RISC shuttling mechanism between nucleus and cytoplasm ensuring concomitant gene regulation by small RNAs in both compartments.

  4. Stress analysis of local blisters coupling Raman spectroscopy and X-ray diffraction. Correlation between experimental results and continuous damage modelling for buckling in an iron oxide/phosphated iron system

    Energy Technology Data Exchange (ETDEWEB)

    Panicaud, B., E-mail: benoit.panicaud@utt.fr [Universite de Technologie de Troyes (UTT), CNRS UMR 6279, 12 rue Marie Curie, 10010 Troyes (France); Grosseau-Poussard, J.L. [LEMMA, Pole Sciences et Technologie, Universite de La Rochelle, Av. M. Crepeau, 17042 La Rochelle Cedex (France)

    2010-12-01

    In this present work, local stress development in the iron oxide layers growing on phosphated {alpha}-Fe at 400 deg. C in ambient air is investigated by Raman spectroscopy. Coupled with X-ray diffraction it enables to obtain directly local stresses' maps in the oxide layers. Use of Raman spectroscopy allows obtaining better accuracy on mechanical behaviour at local scale. This characterisation technique is very useful to study systems developing mechanical heterogeneities on surface, especially in case of buckling phenomenon. Investigations on particular local blisters have been done to measure some characteristic lengths at local scale. From local measurements, we are able to evaluate general effect of buckling from simplified scale transition. So, a macroscopic approach has been performed to calculate global stress evolution of the oxide layer, based on continuous damage mechanics. Consequently, it leads to good comparison between modelling and experimental values (global stresses versus oxidation time) in {alpha}-Fe{sub 2}O{sub 3} oxide.

  5. STRUCTURAL ANALYSIS OF WOOD-LEATHER PANELS BY RAMAN SPECTROSCOPY

    Directory of Open Access Journals (Sweden)

    Tilman Grünewald,

    2012-02-01

    Full Text Available Besides other ligno-cellulosic materials such as straw, rice husks, or bagasse, wet blue particles from leather production are a promising new raw material stock for wood-based panels, as they offer not only a high availability, but increase the properties of the panel with regard to fire resistance or mechanical characteristics. A panel with a mixture of 42.5% wood fibers, 42.5% wet blue leather particles, and 15% lignin adhesive was produced, and an inhomogeneous sample was prepared. An area of 9 x 10 mm was rasterized and scanned by means of Raman Spectroscopy. Furthermore, the reference spectra of the constituents, i.e. wood fiber, wet blue leather particle, and lignin powder were recorded. The obtained data were treated and analyzed using chemometric methods (principal components analysis PCA and cluster analysis. An important finding was that the reference data were not directly represented in the panels’ spectra, and the correlation matrix of the PCA was not applicable to the panel data. This indicated that chemical changes might take place during the pressing. After processing the panel Raman spectra with the help of PCA and cluster analysis, three distinctive clusters were obtained, discriminating wood, leather, and mixed regions. With the assigned spectral information, it was possible to create a spectral image of the surface.

  6. Detrended cross-correlation analysis of electroencephalogram

    International Nuclear Information System (INIS)

    Wang Jun; Zhao Da-Qing

    2012-01-01

    In the paper we use detrended cross-correlation analysis (DCCA) to study the electroencephalograms of healthy young subjects and healthy old subjects. It is found that the cross-correlation between different leads of a healthy young subject is larger than that of a healthy old subject. It was shown that the cross-correlation relationship decreases with the aging process and the phenomenon can help to diagnose whether the subject's brain function is healthy or not. (interdisciplinary physics and related areas of science and technology)

  7. Fluorescence correlation spectroscopy diffusion laws in the presence of moving nanodomains

    International Nuclear Information System (INIS)

    Šachl, Radek; Hof, Martin; Bergstrand, Jan; Widengren, Jerker

    2016-01-01

    It has been shown by means of simulations that spot variation fluorescence correlation spectroscopy (sv-FCS) can be used for the identification and, to some extent, also characterization of immobile lipid nanodomains in model as well as cellular plasma membranes. However, in these simulations, the nanodomains were assumed to be stationary, whereas they actually tend to move like the surrounding lipids. In the present study, we investigated how such domain movement influences the diffusion time/spot-size dependence observed in FCS experiments, usually referred to as ‘diffusion law’ analysis. We show that domain movement might mask the effects of the ‘anomalous’ diffusion characteristics of membrane lipids or proteins predicted for stationary domains, making it difficult to identify such moving nanodomains by sv-FCS. More specifically, our simulations indicate that (i) for domains moving up to a factor of 2.25 slower than the surrounding lipids, such impeded diffusion cannot be observed and the diffusion behaviour of the proteins or lipids is indistinguishable from that of freely diffusing molecules, i.e. nanodomains are not detected; (ii) impeded protein/lipid diffusion behaviour can be observed in experiments where the radii of the detection volume are similar in size to the domain radii, the domain diffusion is about 10 times slower than that of the lipids, and the probes show a high affinity to the domains; and (iii) presence of nanodomains can only be reliably detected by diffraction limited sv-FCS when the domains move very slowly (about 200 times slower than the lipid diffusion). As nanodomains are expected to be in the range of tens of nanometres and most probes show low affinities to such domains, sv-FCS is limited to stationary domains and/or STED-FCS. However, even for that latter technique, diffusing domains smaller than 50 nm in radius are hardly detectable by FCS diffusion time/spot-size dependencies. (paper)

  8. Development of an X-ray delay unit for correlation spectroscopy and pump-probe experiments

    Energy Technology Data Exchange (ETDEWEB)

    Roseker, Wojciech

    2008-07-15

    Probing condensed matter on time scales ranging from femtoseconds to nanoseconds will be one of the key topics for future X-ray Free Electron Laser (XFEL) sources. The accessible time windows are, however, compromised by the intrinsic time structure of the sources. One way to overcome this limitation is the usage of a time delay unit. A prototype device capable of splitting an X-ray pulse into two adjustable fractions, delaying one of them with the aim to perform X-ray Photon Correlation Spectroscopy and pump-probe type studies was designed and manufactured. The device utilizes eight perfect crystals in vertical 90 scattering geometry. Its performance has been verified with 8.39 keV and 12.4 keV Xrays at various synchrotron sources. The measured throughput of the device with a Si(333) monochromator at 8.39 keV under ambient conditions is 0.6%. The stability was verified at 12.4 keV and operation without realignment and feedback was possible for more than 30 minutes. Time delays up to 2.95 ns have been achieved. The highest resolution achieved in an experiment was 15.4 ps, a value entirely determined by the diagnostics system. The influence of the delay unit optics on the coherence properties of the beam was investigated by means of Fraunhofer diffraction and static speckle analysis. The obtained high fringe visibility and contrast values larger than 23% indicate the feasibility of performing coherence based experiments with the delay line. (orig.)

  9. Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Hellman, Hal

    1968-01-01

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

  10. Recent developments in fast spectroscopy for plant mineral analysis

    Directory of Open Access Journals (Sweden)

    Marie evan Maarschalkerweerd

    2015-03-01

    Full Text Available Ideal fertilizer management to optimize plant productivity and quality is more relevant than ever, as global food demands increase along with the rapidly growing world population. At the same time, sub-optimal or excessive use of fertilizers leads to severe environmental damage in areas of intensive crop production. The approaches of soil and plant mineral analysis are briefly compared and discussed here, and the new techniques using fast spectroscopy that offer cheap, rapid and easy-to-use analysis of plant nutritional status are reviewed. The majority of these methods use vibrational spectroscopy, such as Visual-Near Infrared (Vis-NIR and to a lesser extent Ultraviolet (UV and Mid-Infrared (MIR spectroscopy. Advantages of and problems with application of these techniques are thoroughly discussed. Spectroscopic techniques considered having major potential for plant mineral analysis, such as chlorophyll a fluorescence, X-ray fluorescence (XRF and Laser-Induced Breakdown Spectroscopy (LIBS are also described.

  11. A method of mössbauer fourier spectroscopy for determination of the biopolimer coordinate correlation functions

    Science.gov (United States)

    Basovets, S. K.; Uporov, I. V.; Shaitan, K. V.; Krupyanskii, Yu. F.; Kurinov, I. V.; Suzdalev, I. P.; Rubin, A. B.; Goldanskii, V. I.

    1988-12-01

    A method of Mössbauer Fourier spectroscopy is developed to determine the correlation function of coordinates of a macromolecular system. The method does not require the use of an a priori dynamic model. The application of the method to the analysis of RSMR data for human serum albumin has demonstrated considerable changes in the dynamic behavior of the protein globule when the temperature is changed from 270 to 310 K. The main conclusions of the present work is the simultaneous observation of low-frequency (τ≥10-9 sec) and high-frequency (τ≪10-9 sec) large-scaled motions, that is the two-humped distribution of correlation times of protein motions.

  12. Multicollinearity in canonical correlation analysis in maize.

    Science.gov (United States)

    Alves, B M; Cargnelutti Filho, A; Burin, C

    2017-03-30

    The objective of this study was to evaluate the effects of multicollinearity under two methods of canonical correlation analysis (with and without elimination of variables) in maize (Zea mays L.) crop. Seventy-six maize genotypes were evaluated in three experiments, conducted in a randomized block design with three replications, during the 2009/2010 crop season. Eleven agronomic variables (number of days from sowing until female flowering, number of days from sowing until male flowering, plant height, ear insertion height, ear placement, number of plants, number of ears, ear index, ear weight, grain yield, and one thousand grain weight), 12 protein-nutritional variables (crude protein, lysine, methionine, cysteine, threonine, tryptophan, valine, isoleucine, leucine, phenylalanine, histidine, and arginine), and 6 energetic-nutritional variables (apparent metabolizable energy, apparent metabolizable energy corrected for nitrogen, ether extract, crude fiber, starch, and amylose) were measured. A phenotypic correlation matrix was first generated among the 29 variables for each of the experiments. A multicollinearity diagnosis was later performed within each group of variables using methodologies such as variance inflation factor and condition number. Canonical correlation analysis was then performed, with and without the elimination of variables, among groups of agronomic and protein-nutritional, and agronomic and energetic-nutritional variables. The canonical correlation analysis in the presence of multicollinearity (without elimination of variables) overestimates the variability of canonical coefficients. The elimination of variables is an efficient method to circumvent multicollinearity in canonical correlation analysis.

  13. Bayesian Correlation Analysis for Sequence Count Data.

    Directory of Open Access Journals (Sweden)

    Daniel Sánchez-Taltavull

    Full Text Available Evaluating the similarity of different measured variables is a fundamental task of statistics, and a key part of many bioinformatics algorithms. Here we propose a Bayesian scheme for estimating the correlation between different entities' measurements based on high-throughput sequencing data. These entities could be different genes or miRNAs whose expression is measured by RNA-seq, different transcription factors or histone marks whose expression is measured by ChIP-seq, or even combinations of different types of entities. Our Bayesian formulation accounts for both measured signal levels and uncertainty in those levels, due to varying sequencing depth in different experiments and to varying absolute levels of individual entities, both of which affect the precision of the measurements. In comparison with a traditional Pearson correlation analysis, we show that our Bayesian correlation analysis retains high correlations when measurement confidence is high, but suppresses correlations when measurement confidence is low-especially for entities with low signal levels. In addition, we consider the influence of priors on the Bayesian correlation estimate. Perhaps surprisingly, we show that naive, uniform priors on entities' signal levels can lead to highly biased correlation estimates, particularly when different experiments have widely varying sequencing depths. However, we propose two alternative priors that provably mitigate this problem. We also prove that, like traditional Pearson correlation, our Bayesian correlation calculation constitutes a kernel in the machine learning sense, and thus can be used as a similarity measure in any kernel-based machine learning algorithm. We demonstrate our approach on two RNA-seq datasets and one miRNA-seq dataset.

  14. Spectroscopy

    CERN Document Server

    Walker, S

    1976-01-01

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

  15. The Utilization of Spin Polarized Photoelectron Spectroscopy as a Probe of Electron Correlation with an Ultimate Goal of Pu

    International Nuclear Information System (INIS)

    Tobin, James; Yu, Sung; Chung, Brandon; Morton, Simon; Komesu, Takashi; Waddill, George

    2008-01-01

    We are developing the technique of spin-polarized photoelectron spectroscopy as a probe of electron correlation with the ultimate goal of resolving the Pu electronic structure controversy. Over the last several years, we have demonstrated the utility of spin polarized photoelectron spectroscopy for determining the fine details of the electronic structure in complex systems such as those shown in the paper.

  16. Vibrational Micro-Spectroscopy of Human Tissues Analysis: Review.

    Science.gov (United States)

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

    2017-05-04

    Vibrational spectroscopy (Infrared (IR) and Raman) and, in particular, micro-spectroscopy and micro-spectroscopic imaging have been used to characterize developmental changes in tissues, to monitor these changes in cell cultures and to detect disease and drug-induced modifications. The conventional methods for biochemical and histophatological tissue characterization necessitate complex and "time-consuming" sample manipulations and the results are rarely quantifiable. The spectroscopy of molecular vibrations using mid-IR or Raman techniques has been applied to samples of human tissue. This article reviews the application of these vibrational spectroscopic techniques for analysis of biological tissue published between 2005 and 2015.

  17. PyCorrFit-generic data evaluation for fluorescence correlation spectroscopy.

    Science.gov (United States)

    Müller, Paul; Schwille, Petra; Weidemann, Thomas

    2014-09-01

    We present a graphical user interface (PyCorrFit) for the fitting of theoretical model functions to experimental data obtained by fluorescence correlation spectroscopy (FCS). The program supports many data file formats and features a set of tools specialized in FCS data evaluation. The Python source code is freely available for download from the PyCorrFit web page at http://pycorrfit.craban.de. We offer binaries for Ubuntu Linux, Mac OS X and Microsoft Windows. © The Author 2014. Published by Oxford University Press.

  18. Application of perturbed angular correlation spectroscopy in IgG immunoglobulins

    International Nuclear Information System (INIS)

    Silva, A.S.; Amaral, A.A.; Lapolli, A.L.; Carbonari, A.W.

    2009-01-01

    In the present work, the technique of perturbed angular correlation (PAC) spectroscopy was used to measure the electric hyperfine field at IgG immunoglobulins using 111 In → 111 Cd and 181 Hf → 181 Ta probe nuclei. The biological materials studied in this work were originating from the immunological response of different mice lineages infected by the Y strain of T. cruzi. The samples were measured at room temperature (295K) and at liquid nitrogen temperature (77K). The PAC results showed that, samples measured with 111 In obtained better results when they were compared with samples measured with 181 Hf. (author)

  19. Correlations between the orientation of magnetic recording media determined by Moessbauer spectroscopy and magnetic methods

    International Nuclear Information System (INIS)

    Pott, R.A.; Koch, W.; Leitner, L.

    1986-01-01

    The orientation of the easy magnetization axis of magnetic particles is a key parameter of the recording performance of magnetic recording media. Usually the orientation is measured by magnetic methods, but the applicability of the Moessbauer Spectroscopy has also been shown in the past. The authors show and discuss the correlations between the results obtained by magnetic and Moessbauer measurements for the example of several magnetic tapes. They demonstrate that by a combination of both methods one is even able to estimate the mean canting angles distribution width of the easy axis of magnetization. (Auth.)

  20. Application of perturbed angular correlation spectroscopy in IgG immunoglobulins

    Energy Technology Data Exchange (ETDEWEB)

    Silva, A.S.; Amaral, A.A.; Lapolli, A.L.; Carbonari, A.W. [Instituto de Pesquisas Energeticas e Nucleares (IPEN-CNEN/SP), Sao Paulo, SP (Brazil)], e-mail: asilva@usp.br

    2009-07-01

    In the present work, the technique of perturbed angular correlation (PAC) spectroscopy was used to measure the electric hyperfine field at IgG immunoglobulins using {sup 111}In {yields}{sup 111}Cd and {sup 181}Hf {yields} {sup 181}Ta probe nuclei. The biological materials studied in this work were originating from the immunological response of different mice lineages infected by the Y strain of T. cruzi. The samples were measured at room temperature (295K) and at liquid nitrogen temperature (77K). The PAC results showed that, samples measured with {sup 111}In obtained better results when they were compared with samples measured with {sup 181}Hf. (author)

  1. In vivo time-gated diffuse correlation spectroscopy at quasi-null source-detector separation.

    Science.gov (United States)

    Pagliazzi, M; Sekar, S Konugolu Venkata; Di Sieno, L; Colombo, L; Durduran, T; Contini, D; Torricelli, A; Pifferi, A; Mora, A Dalla

    2018-06-01

    We demonstrate time domain diffuse correlation spectroscopy at quasi-null source-detector separation by using a fast time-gated single-photon avalanche diode without the need of time-tagging electronics. This approach allows for increased photon collection, simplified real-time instrumentation, and reduced probe dimensions. Depth discriminating, quasi-null distance measurement of blood flow in a human subject is presented. We envision the miniaturization and integration of matrices of optical sensors of increased spatial resolution and the enhancement of the contrast of local blood flow changes.

  2. Quantitative Studies of Antimicrobial Peptide Pore Formation in Large Unilamellar Vesicles by Fluorescence Correlation Spectroscopy (FCS)

    DEFF Research Database (Denmark)

    Kristensen, Kasper; Henriksen, Jonas Rosager; Andresen, Thomas Lars

    2013-01-01

    In spite of intensive research efforts over the past decades, the mechanisms by which membrane-active antimicrobial peptides interact with phospholipid membranes are not yet fully elucidated. New tools that can be used to characterize antimicrobial peptide-lipid membrane interactions are therefore...... to quantify leakage from large unilamellar vesicles is associated with a number of experimental pitfalls. Based on theoretical and experimental considerations, we discuss how to properly design experiments to avoid these pitfalls. Subsequently, we apply fluorescence correlation spectroscopy to quantify...

  3. Devoloping an integrated analysis approach to exoplanetary spectroscopy

    Science.gov (United States)

    Waldmann, Ingo

    2015-07-01

    Analysing the atmospheres of Earth and SuperEarth type planets for possible biomarkers will push us to the limits of current and future instrumentation. As the field matures, we must also upgrade our data analysis and interpretation techniques from their "ad-hoc" beginnings to a solid statistical foundation. This is particularly important for the optimal exploitation of future instruments, such as JWST and E-ELT. At the limits of low signal-to-noise, we are prone to two sources of biases: 1) Prior selection in the data reduction; 2) Prior constraints on the spectral retrieval. A unified set of tools addressing both points is required. To de-trend low S/N, correlated data, we demonstrated blind-source-separation (BSS) machine learning techniques to be a significant step forward. Both in photometry and spectroscopy. BSS finds applications in fields as diverse as medical imaging to cosmology. Applied to exoplanets, it allows us to resolve de-trending biases and demonstrate consistency between data sets that were previously found to be highly discrepant and subject to much debate. For the interpretation of the data, we developed a novel atmospheric retrieval suite, Tau-REx. Tau-REx implements an unbiased prior selections via a custom built pattern recognition software. A full subsequent mapping of the likelihood space (using cluster computing) allows us, for the first time, to fully study degeneracies and biases in emission and transmission spectroscopy. The development of a coherent end-to-end infrastructure is paramount to the characterisation of ever smaller and fainter foreign worlds. In this conference, I will discuss what we have learned for current observations and the need for unified statistical frameworks in the era of JWST, E-ELT.

  4. Graphology and personality: a correlational analysis

    OpenAIRE

    2008-01-01

    M.A. The title of this dissertation reads as follows: Graphology and Personality: A Correlational Analysis. The aim of this dissertation is to introduce a different projective technique (as of yet not very widely used) into the psychological arena of assessment. Graphology is a projective technique that allows the analyst to delve into the personality of the individual. Very shortly, graphology can be defined as the assessment or analysis of a person’s handwriting. When a child first attem...

  5. Laser-induced breakdown spectroscopy analysis of asbestos

    International Nuclear Information System (INIS)

    Caneve, L.; Colao, F.; Fabbri, F.; Fantoni, R.; Spizzichino, V.; Striber, J.

    2005-01-01

    Laser-induced breakdown spectroscopy was applied to test the possibility of detecting and identifying asbestos in different samples in view of the perspective at field operation without sample preparation which is peculiar to this technique. Several like-resin materials were first investigated by laser-induced breakdown spectroscopy, in order to find an asbestos container assuring safe laboratory operation during the material characterization aimed to identify indicators suitable for a quick identification on field. Successively, spectra of asbestos samples of both in serpentine and amphibole forms were measured and the variability in elemental composition was calculated from the emission spectra. Ratios of intensities of characteristic elements were tested as indicators for asbestos recognition. Laser-induced breakdown spectroscopy results were compared with those obtained by analyzing the same asbestos samples with a scanning electron microscopy equipped with an energy dispersive X-ray spectroscopy, a good correlation was found for Mg/Si and Fe/Si, thus showing the capability of laser-induced breakdown spectroscopy as a diagnostic tool for this category of materials. In particular, it was demonstrated that the method based on two indicators derived from laser-induced breakdown spectroscopy intensity ratios allows to discriminate between asbestos and cements in single shot measurements suitable to field operation

  6. Analysis Tools for Next-Generation Hadron Spectroscopy Experiments

    Science.gov (United States)

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

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

  7. Analysis Tools for Next-Generation Hadron Spectroscopy Experiments

    International Nuclear Information System (INIS)

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

    2015-01-01

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

  8. Isotopic analysis using optical spectroscopy (1963)

    International Nuclear Information System (INIS)

    Gerstenkorn, S.

    1963-01-01

    The isotopic displacement in the atomic lines of certain elements (H, He, Li, Ne, Sr, Hg, Pb, U, Pu) is used for dosing these elements isotopically. The use of the Fabry-Perot photo-electric interference spectrometer is shown to be particularly adapted for this sort of problem: in each case we give on the one hand the essential results obtained with this apparatus, and on the other hand the results previously obtained with a conventional apparatus (grating, photographic plate). These results together give an idea of the possibilities of optical spectroscopy: in the best case, the precision which may be expected is of the order of 1 to 2 per cent for isotopes whose concentration is about 1 per cent. (author) [fr

  9. Probing the photoluminescence properties of gold nanoclusters by fluorescence lifetime correlation spectroscopy

    International Nuclear Information System (INIS)

    Yuan, C. T.; Lin, T. N.; Shen, J. L.; Lin, C. A.; Chang, W. H.; Cheng, H. W.; Tang, J.

    2013-01-01

    Gold nanoclusters (Au NCs) have attracted much attention for promising applications in biological imaging owing to their tiny sizes and biocompatibility. So far, most efforts have been focused on the strategies for fabricating high-quality Au NCs and then characterized by conventional ensemble measurement. Here, a fusion single-molecule technique combining fluorescence correlation spectroscopy and time-correlated single-photon counting can be successfully applied to probe the photoluminescence (PL) properties for sparse Au NCs. In this case, the triplet-state dynamics and diffusion process can be observed simultaneously and the relevant time constants can be derived. This work provides a complementary insight into the PL mechanism at the molecular levels for Au NCs in solution

  10. Temperature-Corrected Oxygen Detection Based on Multi-Mode Diode Laser Correlation Spectroscopy

    Directory of Open Access Journals (Sweden)

    Xiutao Lou

    2013-01-01

    Full Text Available Temperature-corrected oxygen measurements were performed by using multi-mode diode laser correlation spectroscopy at temperatures ranging between 300 and 473 K. The experiments simulate in situ monitoring of oxygen in coal-combustion exhaust gases at the tail of the flue. A linear relationship with a correlation coefficient of −0.999 was found between the evaluated concentration and the gas temperature. Temperature effects were either auto-corrected by keeping the reference gas at the same conditions as the sample gas, or rectified by using a predetermined effective temperature-correction coefficient calibrated for a range of absorption wavelengths. Relative standard deviations of the temperature-corrected oxygen concentrations obtained by different schemes and at various temperatures were estimated, yielding a measurement precision of 0.6%.

  11. Correlation between laser-induced breakdown spectroscopy signal and moisture content

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Yuan [Townes Laser Institute, CREOL - The College of Optics and Photonics, University of Central Florida, 4000 Central Florida Boulevard, Orlando, FL 32816 (United States); Gigant, Lionel [Townes Laser Institute, CREOL - The College of Optics and Photonics, University of Central Florida, 4000 Central Florida Boulevard, Orlando, FL 32816 (United States); Universite Bordeaux 1, 351 cours de la Liberation 33405 Talence Cedex (France); Baudelet, Matthieu, E-mail: baudelet@creol.ucf.edu [Townes Laser Institute, CREOL - The College of Optics and Photonics, University of Central Florida, 4000 Central Florida Boulevard, Orlando, FL 32816 (United States); Richardson, Martin [Townes Laser Institute, CREOL - The College of Optics and Photonics, University of Central Florida, 4000 Central Florida Boulevard, Orlando, FL 32816 (United States)

    2012-07-15

    The possibility of using Laser-Induced Breakdown Spectroscopy (LIBS) for measuring the moisture content of fresh food samples is studied. The normalized line emission of oxygen is highly correlated with the moisture content of the sample, cheese in our case, and can be used as a moisture marker in situations where oxygen interference from the matrix is not a critical issue. The linear correlation between the oxygen signal and the moisture content in the sample shows great potential for using LIBS as an alternative spectroscopic method for moisture monitoring. - Highlights: Black-Right-Pointing-Pointer Quantitative moisture measurement by LIBS. Black-Right-Pointing-Pointer Use of matrix effects and normalization for physical information on the sample. Black-Right-Pointing-Pointer Use of signal from oxygen and CN radical in air background for moisture measurement.

  12. Correlation between laser-induced breakdown spectroscopy signal and moisture content

    International Nuclear Information System (INIS)

    Liu, Yuan; Gigant, Lionel; Baudelet, Matthieu; Richardson, Martin

    2012-01-01

    The possibility of using Laser-Induced Breakdown Spectroscopy (LIBS) for measuring the moisture content of fresh food samples is studied. The normalized line emission of oxygen is highly correlated with the moisture content of the sample, cheese in our case, and can be used as a moisture marker in situations where oxygen interference from the matrix is not a critical issue. The linear correlation between the oxygen signal and the moisture content in the sample shows great potential for using LIBS as an alternative spectroscopic method for moisture monitoring. - Highlights: ► Quantitative moisture measurement by LIBS. ► Use of matrix effects and normalization for physical information on the sample. ► Use of signal from oxygen and CN radical in air background for moisture measurement.

  13. Two-dimensional MR spectroscopy of minimal hepatic encephalopathy and neuropsychological correlates in vivo.

    Science.gov (United States)

    Singhal, Aparna; Nagarajan, Rajakumar; Hinkin, Charles H; Kumar, Rajesh; Sayre, James; Elderkin-Thompson, Virginia; Huda, Amir; Gupta, Rakesh K; Han, Steven-Huy; Thomas, M Albert

    2010-07-01

    To evaluate regional cerebral metabolic and structural changes in patients with minimal hepatic encephalopathy (MHE) using two-dimensional (2D) MR spectroscopy (MRS) and T( (1) )-weighted MRI, to correlate the observed MR changes with neuropsychological (NP) test scores, and to compare the diagnostic accuracy of MRI, 2D MRS, and NP tests in discriminating between patients and healthy subjects. Thirty-three MHE patients and 30 healthy controls were investigated. The 2D localized correlated spectroscopy (L-COSY) was performed in the frontal and occipital brain on a 1.5 Tesla (T) MR scanner. The NP test battery included 15 tests, grouped into 6 cognitive domains. Globus pallidus signal intensities were calculated from T(1)-weighted images. The 2D MRS showed significant differences in ratios of the following metabolite(s) peaks with respect to creatine (Cr): decreased myo-inositol (mI), choline (Ch), mICh, and increased (glutamate plus glutamine) (Glx) in patients compared with healthy subjects in both occipital and frontal lobes. Frontal lobe taurine also showed a decline in patients. The NP test results revealed declines in cognitive speed, motor function, executive function, and global cognitive status. Significant correlations were found between the altered metabolites and NP tests. Alteration in the mICh/Cr ratio was noted as a powerful discriminant between healthy subjects and the patients. The study demonstrates that relative metabolite levels determined by 2D MRS, in particular mICh/Cr, provide the best diagnostic prediction for MHE. The results suggest that depletions of myo-inositol, choline and taurine with respect to creatine correlate with measures of neuropsychological impairment. (c) 2010 Wiley-Liss, Inc.

  14. Accelerating two-dimensional nuclear magnetic resonance correlation spectroscopy via selective coherence transfer

    Science.gov (United States)

    Ye, Qimiao; Chen, Lin; Qiu, Wenqi; Lin, Liangjie; Sun, Huijun; Cai, Shuhui; Wei, Zhiliang; Chen, Zhong

    2017-01-01

    Nuclear magnetic resonance (NMR) spectroscopy serves as an important tool for both qualitative and quantitative analyses of various systems in chemistry, biology, and medicine. However, applications of one-dimensional 1H NMR are often restrained by the presence of severe overlap among different resonances. The advent of two-dimensional (2D) 1H NMR constitutes a promising alternative by extending the crowded resonances into a plane and thereby alleviating the spectral congestions. However, the enhanced ability in discriminating resonances is achieved at the cost of extended experimental duration due to necessity of various scans with progressive delays to construct the indirect dimension. Therefore, in this study, we propose a selective coherence transfer (SECOT) method to accelerate acquisitions of 2D correlation spectroscopy by converting chemical shifts into spatial positions within the effective sample length and then performing an echo planar spectroscopic imaging module to record the spatial and spectral information, which generates 2D correlation spectrum after 2D Fourier transformation. The feasibility and effectiveness of SECOT have been verified by a set of experiments under both homogeneous and inhomogeneous magnetic fields. Moreover, evaluations of SECOT for quantitative analyses are carried out on samples with a series of different concentrations. Based on these experimental results, the SECOT may open important perspectives for fast, accurate, and stable investigations of various chemical systems both qualitatively and quantitatively.

  15. Intracellular localization and dynamics of Hypericin loaded PLLA nanocarriers by image correlation spectroscopy.

    Science.gov (United States)

    Penjweini, Rozhin; Deville, Sarah; D'Olieslaeger, Lien; Berden, Mandy; Ameloot, Marcel; Ethirajan, Anitha

    2015-11-28

    The study of cell-nanoparticle interactions is an important aspect for understanding drug delivery using nanocarriers. In this regard, advances in fluorescence based microscopy are useful for the investigation of temporal and spatial behavior of nanoparticles (NPs) within the intracellular environment. In this work, we focus on the delivery of the naturally-occurring hydrophobic photosensitizer Hypericin in human lung carcinoma A549 cells by using biodegradable poly L-lactic acid NPs. For the first time, Hypericin containing NPs are prepared by combining the miniemulsion technique with the solvent evaporation method. This approach yields an efficient loading of the NPs with Hypericin and allows for additional cargo molecules. To monitor the release of Hypercin from the NPs, an additional fluorescent lipophilic dye Coumarin-6 is incorporated in the NPs. Temporal and spatiotemporal image correlation spectroscopy is used to determine the fate of the NPs carrying the potential cargo. Both directed and non-directed motions are detected. By using image cross-correlation spectroscopy and specific fluorescent labeling of endosomes, lysosomes and mitochondria, the dynamics of the cargo loaded NPs in association with the organelles is studied. Copyright © 2015 Elsevier B.V. All rights reserved.

  16. Analysis of scorpion venom composition by Raman Spectroscopy

    Science.gov (United States)

    Martínez-Zérega, Brenda E.; González-Solís, José L.

    2015-01-01

    In this work we study the venom of two Centruroides scorpion species using Raman spectroscopy. The spectra analysis allows to determine the venoms chemical composition and to establish the main differences and similarities among the species. It is also shown that the use of Principal Component Analysis may help to tell apart between the scorpion species.

  17. Gamma Spectroscopy

    NARCIS (Netherlands)

    Niemantsverdriet, J.W.; Butz, Tilman; Ertl, G.; Knözinger, H.; Schüth, F.

    2008-01-01

    No abstract. The sections in this article are 1 Introduction 2 Mössbauer Spectroscopy 3 Time-Differential Perturbed Angular Correlations (TDPAC) 4 Conclusions and Outlook Keywords: Mössbauer spectroscopy; gamma spectroscopy; perturbed angular correlation; TDPAC

  18. Feasibility of the simultaneous determination of polycyclic aromatic hydrocarbons based on two-dimensional fluorescence correlation spectroscopy

    Science.gov (United States)

    Yang, Renjie; Dong, Guimei; Sun, Xueshan; Yang, Yanrong; Yu, Yaping; Liu, Haixue; Zhang, Weiyu

    2018-02-01

    A new approach for quantitative determination of polycyclic aromatic hydrocarbons (PAHs) in environment was proposed based on two-dimensional (2D) fluorescence correlation spectroscopy in conjunction with multivariate method. 40 mixture solutions of anthracene and pyrene were prepared in the laboratory. Excitation-emission matrix (EEM) fluorescence spectra of all samples were collected. And 2D fluorescence correlation spectra were calculated under the excitation perturbation. The N-way partial least squares (N-PLS) models were developed based on 2D fluorescence correlation spectra, showing a root mean square error of calibration (RMSEC) of 3.50 μg L- 1 and root mean square error of prediction (RMSEP) of 4.42 μg L- 1 for anthracene and of 3.61 μg L- 1 and 4.29 μg L- 1 for pyrene, respectively. Also, the N-PLS models were developed for quantitative analysis of anthracene and pyrene using EEM fluorescence spectra. The RMSEC and RMSEP were 3.97 μg L- 1 and 4.63 μg L- 1 for anthracene, 4.46 μg L- 1 and 4.52 μg L- 1 for pyrene, respectively. It was found that the N-PLS model using 2D fluorescence correlation spectra could provide better results comparing with EEM fluorescence spectra because of its low RMSEC and RMSEP. The methodology proposed has the potential to be an alternative method for detection of PAHs in environment.

  19. 14C analysis via intracavity optogalvanic spectroscopy

    International Nuclear Information System (INIS)

    Murnick, Daniel; Dogru, Ozgur; Ilkmen, Erhan

    2010-01-01

    A new ultra sensitive laser-based analytical technique, intracavity optogalvanic spectroscopy (ICOGS), allowing extremely high sensitivity for detection of 14 C-labeled carbon dioxide has recently been demonstrated. Capable of replacing accelerator mass spectrometers (AMS) for many applications, the technique quantifies zeptomoles of 14 C in sub micromole CO 2 samples. Based on the specificity of narrow laser resonances coupled with the sensitivity provided by standing waves in an optical cavity, and detection via impedance variations, limits of detection near 10 -1514 C/ 12 C ratios have been obtained with theoretical limits much lower. Using a 15 W 14 CO 2 laser, a linear calibration with samples from 5 x 10 -15 to >1.5 x 10 -12 in 14 C/ 12 C ratios, as determined by AMS, was demonstrated. Calibration becomes non-linear over larger concentration ranges due to interactions between CO 2 and buffer gas, laser saturation effects and changes in equilibration time constants. The instrument is small (table top), low maintenance and can be coupled to GC or LC input. The method can also be applied to detection of other trace entities. Possible applications include microdosing studies in drug development, individualized sub-therapeutic tests of drug metabolism, carbon dating and real time monitoring of atmospheric radiocarbon.

  20. Analysis of 2-ethylhexyl-p-methoxycinnamate in sunscreen products by HPLC and Raman spectroscopy.

    Science.gov (United States)

    Cheng, J; Li, Y S; L Roberts, R; Walker, G

    1997-10-01

    The analyses of 2-ethylhexyl-p-methoxycinnamate (EHMC) using HPLC and Raman spectroscopy have been undertaken and compared. EHMC, which is one of the most widely used sunscreen agents in suncare products in the US, exhibits a strong Raman signal. This signal clearly appears in both ethanol solutions of EHMC as well as in commercial sunscreen lotions containing this sun screen agent. A method for the direct detection and analysis of EHMC has been developed using Raman spectroscopy. This was accomplished by correlating the Raman intensities with the HPLC assays for a series of prototype suncare formulations. Based upon this information, it would be possible to employ Raman spectroscopy as an in-process control method in the commercial production of suncare products containing EHMC. The possibility of applying surface-enhanced Raman scattering for trace analysis was discussed.

  1. International Space Station Future Correlation Analysis Improvements

    Science.gov (United States)

    Laible, Michael R.; Pinnamaneni, Murthy; Sugavanam, Sujatha; Grygier, Michael

    2018-01-01

    Ongoing modal analyses and model correlation are performed on different configurations of the International Space Station (ISS). These analyses utilize on-orbit dynamic measurements collected using four main ISS instrumentation systems: External Wireless Instrumentation System (EWIS), Internal Wireless Instrumentation System (IWIS), Space Acceleration Measurement System (SAMS), and Structural Dynamic Measurement System (SDMS). Remote Sensor Units (RSUs) are network relay stations that acquire flight data from sensors. Measured data is stored in the Remote Sensor Unit (RSU) until it receives a command to download data via RF to the Network Control Unit (NCU). Since each RSU has its own clock, it is necessary to synchronize measurements before analysis. Imprecise synchronization impacts analysis results. A study was performed to evaluate three different synchronization techniques: (i) measurements visually aligned to analytical time-response data using model comparison, (ii) Frequency Domain Decomposition (FDD), and (iii) lag from cross-correlation to align measurements. This paper presents the results of this study.

  2. Chemical profiling and adulteration screening of Aquilariae Lignum Resinatum by Fourier transform infrared (FT-IR) spectroscopy and two-dimensional correlation infrared (2D-IR) spectroscopy

    Science.gov (United States)

    Qu, Lei; Chen, Jian-bo; Zhang, Gui-Jun; Sun, Su-qin; Zheng, Jing

    2017-03-01

    As a kind of expensive perfume and valuable herb, Aquilariae Lignum Resinatum (ALR) is often adulterated for economic motivations. In this research, Fourier transform infrared (FT-IR) spectroscopy is employed to establish a simple and quick method for the adulteration screening of ALR. First, the principal chemical constituents of ALR are characterized by FT-IR spectroscopy at room temperature and two-dimensional correlation infrared (2D-IR) spectroscopy with thermal perturbation. Besides the common cellulose and lignin compounds, a certain amount of resin is the characteristic constituent of ALR. Synchronous and asynchronous 2D-IR spectra indicate that the resin (an unstable secondary metabolite) is more sensitive than cellulose and lignin (stable structural constituents) to the thermal perturbation. Using a certified ALR sample as the reference, the infrared spectral correlation threshold is determined by 30 authentic samples and 6 adulterated samples. The spectral correlation coefficient of an authentic ALR sample to the standard reference should be not less than 0.9886 (p = 0.01). Three commercial adulterated ALR samples are identified by the correlation threshold. Further interpretation of the infrared spectra of the adulterated samples indicates the common adulterating methods - counterfeiting with other kind of wood, adding ingredient such as sand to increase the weight, and adding the cheap resin such as rosin to increase the content of resin compounds. Results of this research prove that FT-IR spectroscopy can be used as a simple and accurate quality control method of ALR.

  3. Effective approach to spectroscopy and spectral analysis techniques using Matlab

    Science.gov (United States)

    Li, Xiang; Lv, Yong

    2017-08-01

    With the development of electronic information, computer and network, modern education technology has entered new era, which would give a great impact on teaching process. Spectroscopy and spectral analysis is an elective course for Optoelectronic Information Science and engineering. The teaching objective of this course is to master the basic concepts and principles of spectroscopy, spectral analysis and testing of basic technical means. Then, let the students learn the principle and technology of the spectrum to study the structure and state of the material and the developing process of the technology. MATLAB (matrix laboratory) is a multi-paradigm numerical computing environment and fourth-generation programming language. A proprietary programming language developed by MathWorks, MATLAB allows matrix manipulations, plotting of functions and data, Based on the teaching practice, this paper summarizes the new situation of applying Matlab to the teaching of spectroscopy. This would be suitable for most of the current school multimedia assisted teaching

  4. Childhood temporal lobe epilepsy: correlation between electroencephalography and magnetic resonance spectroscopy: a case-control study.

    Science.gov (United States)

    Azab, Seham Fa; Sherief, Laila M; Saleh, Safaa H; Elshafeiy, Mona M; Siam, Ahmed G; Elsaeed, Wafaa F; Arafa, Mohamed A; Bendary, Eman A; Sherbiny, Hanan S; Elbehedy, Rabab M; Aziz, Khalid A

    2015-04-18

    The diagnosis of epilepsy should be made as early as possible to give a child the best chance for treatment success and also to decrease complications such as learning difficulties and social and behavioral problems. In this study, we aimed to assess the ability of magnetic resonance spectroscopy (MRS) in detecting the lateralization side in patients with Temporal lobe epilepsy (TLE) in correlation with EEG and MRI findings. This was a case-control study including 40 patients diagnosed (clinically and by EEG) as having temporal lobe epilepsy aged 8 to 14 years (mean, 10.4 years) and 20 healthy children with comparable age and gender as the control group. All patients were subjected to clinical examination, interictal electroencephalography and magnetic resonance imaging (MRI). Proton magnetic resonance spectroscopic examination (MRS) was performed to the patients and the controls. According to the findings of electroencephalography, our patients were classified to three groups: Group 1 included 20 patients with unitemporal (lateralized) epileptic focus, group 2 included 12 patients with bitemporal (non-lateralized) epileptic focus and group 3 included 8 patients with normal electroencephalography. Magnetic resonance spectroscopy could lateralize the epileptic focus in 19 patients in group 1, nine patients in group2 and five patients in group 3 with overall lateralization of (82.5%), while electroencephalography was able to lateralize the focus in (50%) of patients and magnetic resonance imaging detected lateralization of mesial temporal sclerosis in (57.5%) of patients. Magnetic resonance spectroscopy is a promising tool in evaluating patients with epilepsy and offers increased sensitivity to detect temporal pathology that is not obvious on structural MRI imaging.

  5. Artificial neural networks for plasma spectroscopy analysis

    International Nuclear Information System (INIS)

    Morgan, W.L.; Larsen, J.T.; Goldstein, W.H.

    1992-01-01

    Artificial neural networks have been applied to a variety of signal processing and image recognition problems. Of the several common neural models the feed-forward, back-propagation network is well suited for the analysis of scientific laboratory data, which can be viewed as a pattern recognition problem. The authors present a discussion of the basic neural network concepts and illustrate its potential for analysis of experiments by applying it to the spectra of laser produced plasmas in order to obtain estimates of electron temperatures and densities. Although these are high temperature and density plasmas, the neural network technique may be of interest in the analysis of the low temperature and density plasmas characteristic of experiments and devices in gaseous electronics

  6. Microscopic theory of photon-correlation spectroscopy in strong-coupling semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Schneebeli, Lukas

    2009-11-27

    would be a great contribution in the growing field of quantum optics in semiconductors. The efforts in QD systems are again driven by the atomic systems which not only have shown the vacuum Rabi splitting, but also the second rung, e.g. via direct spectroscopy and via photon-correlation measurements. In this thesis, it is shown that spectrally resolved photon-statistics measurements of the resonance fluorescence from realistic semiconductor quantum-dot systems allow for high contrast identification of the two-photon strong-coupling states. Using a microscopic theory, the second-rung resonance of Jaynes-Cummings ladder is analyzed and optimum excitation conditions are determined. The computed photon-statistics spectrum displays gigantic, experimentally robust resonances at the energetic positions of the second-rung emission. The resonance fluorescence equations are derived and solved for strong-coupling semiconductor quantum-dot systems using a fully quantized multimode theory and a cluster-expansion approach. A reduced model is developed to explain the origin of auto- and cross-correlation resonances in the two-photon emission spectrum of the fluorescent light. These resonances are traced back to the two-photon strong-coupling states of Jaynes-Cummings ladder. The accuracy of the reduced model is verified via numerical solution of the resonance fluorescence equations. The analysis reveals the direct relation between the squeezed-light emission and the strong-coupling states in optically excited semiconductor systems. (orig.)

  7. Insight into resolution enhancement in generalized two-dimensional correlation spectroscopy.

    Science.gov (United States)

    Ma, Lu; Sikirzhytski, Vitali; Hong, Zhenmin; Lednev, Igor K; Asher, Sanford A

    2013-03-01

    Generalized two-dimensional correlation spectroscopy (2D-COS) can be used to enhance spectral resolution in order to help differentiate highly overlapped spectral bands. Despite the numerous extensive 2D-COS investigations, the origin of the 2D spectral resolution enhancement mechanism(s) is not completely understood. In the work here, we studied the 2D-COS of simulated spectra in order to develop new insights into the dependence of 2D-COS spectral features on the overlapping band separations, their intensities and bandwidths, and their band intensity change rates. We found that the features in the 2D-COS maps that are derived from overlapping bands were determined by the spectral normalized half-intensities and the total intensity changes of the correlated bands. We identified the conditions required to resolve overlapping bands. In particular, 2D-COS peak resolution requires that the normalized half-intensities of a correlating band have amplitudes between the maxima and minima of the normalized half-intensities of the overlapping bands.

  8. Probing GFP-actin diffusion in living cells using fluorescence correlation spectroscopy

    International Nuclear Information System (INIS)

    Engelke, Hanna; Heinrich, Doris; Rädler, Joachim O.

    2010-01-01

    The cytoskeleton of eukaryotic cells is continuously remodeled by polymerization and depolymerization of actin. Consequently, the relative content of polymerized filamentous actin (F-actin) and monomeric globular actin (G-actin) is subject to temporal and spatial fluctuations. Since fluorescence correlation spectroscopy (FCS) can measure the diffusion of fluorescently labeled actin it seems likely that FCS allows us to determine the dynamics and hence indirectly the structural properties of the cytoskeleton components with high spatial resolution. To this end we investigate the FCS signal of GFP-actin in living Dictyostelium discoideum cells and explore the inherent spatial and temporal signatures of the actin cytoskeleton. Using the free green fluorescent protein (GFP) as a reference, we find that actin diffusion inside cells is dominated by G-actin and slower than diffusion in diluted cell extract. The FCS signal in the dense cortical F-actin network near the cell membrane is probed using the cytoskeleton protein LIM and is found to be slower than cytosolic G-actin diffusion. Furthermore, we show that polymerization of the cytoskeleton induced by Jasplakinolide leads to a substantial decrease of G-actin diffusion. Pronounced fluctuations in the distribution of the FCS correlation curves can be induced by latrunculin, which is known to induce actin waves. Our work suggests that the FCS signal of GFP-actin in combination with scanning or spatial correlation techniques yield valuable information about the local dynamics and concomitant cytoskeletal properties

  9. Anterior insula GABA levels correlate with emotional aspects of empathy: a proton magnetic resonance spectroscopy study.

    Directory of Open Access Journals (Sweden)

    Qianfeng Wang

    Full Text Available Empathy is a multidimensional construct referring to the capacity to understand and share the emotional and affective states of another person. Cerebral γ-aminobutyric acid (GABA-ergic levels are associated with a variety of neurological and psychiatric disorders. However, the role of the GABA system in different dimensions of empathy has not been investigated.Thirty-two right-handed healthy volunteers took part in this study. We used proton magnetic resonance spectroscopy to determine GABA concentrations in the anterior insula (AI and the anterior cingulate cortex (ACC and to examine the relationship between the GABA concentrations and the subcomponents of empathy evaluated by the Interpersonal Reactivity Index (IRI.Pearson correlation analyses (two-tailed showed that AI GABA was significantly associated with the empathy concern score (r = 0.584, p<0.05 and the personal distress score (r = 0.538, p<0.05 but not significantly associated with other empathy subscales. No significant correlation was found between ACC GABA and empathy subscores.Left AI GABA was positively correlated with the emotional aspects of empathy. These preliminary findings call into question whether AI GABA alterations might predict empathy dysfunction in major psychiatric disorders such as autism and schizophrenia, which have been described as deficits in emotional empathic abilities.

  10. Gait Correlation Analysis Based Human Identification

    Directory of Open Access Journals (Sweden)

    Jinyan Chen

    2014-01-01

    Full Text Available Human gait identification aims to identify people by a sequence of walking images. Comparing with fingerprint or iris based identification, the most important advantage of gait identification is that it can be done at a distance. In this paper, silhouette correlation analysis based human identification approach is proposed. By background subtracting algorithm, the moving silhouette figure can be extracted from the walking images sequence. Every pixel in the silhouette has three dimensions: horizontal axis (x, vertical axis (y, and temporal axis (t. By moving every pixel in the silhouette image along these three dimensions, we can get a new silhouette. The correlation result between the original silhouette and the new one can be used as the raw feature of human gait. Discrete Fourier transform is used to extract features from this correlation result. Then, these features are normalized to minimize the affection of noise. Primary component analysis method is used to reduce the features’ dimensions. Experiment based on CASIA database shows that this method has an encouraging recognition performance.

  11. International Space Station Model Correlation Analysis

    Science.gov (United States)

    Laible, Michael R.; Fitzpatrick, Kristin; Hodge, Jennifer; Grygier, Michael

    2018-01-01

    This paper summarizes the on-orbit structural dynamic data and the related modal analysis, model validation and correlation performed for the International Space Station (ISS) configuration ISS Stage ULF7, 2015 Dedicated Thruster Firing (DTF). The objective of this analysis is to validate and correlate the analytical models used to calculate the ISS internal dynamic loads and compare the 2015 DTF with previous tests. During the ISS configurations under consideration, on-orbit dynamic measurements were collected using the three main ISS instrumentation systems; Internal Wireless Instrumentation System (IWIS), External Wireless Instrumentation System (EWIS) and the Structural Dynamic Measurement System (SDMS). The measurements were recorded during several nominal on-orbit DTF tests on August 18, 2015. Experimental modal analyses were performed on the measured data to extract modal parameters including frequency, damping, and mode shape information. Correlation and comparisons between test and analytical frequencies and mode shapes were performed to assess the accuracy of the analytical models for the configurations under consideration. These mode shapes were also compared to earlier tests. Based on the frequency comparisons, the accuracy of the mathematical models is assessed and model refinement recommendations are given. In particular, results of the first fundamental mode will be discussed, nonlinear results will be shown, and accelerometer placement will be assessed.

  12. Easy monitoring of velocity fields in microfluidic devices using spatiotemporal image correlation spectroscopy.

    Science.gov (United States)

    Travagliati, Marco; Girardo, Salvatore; Pisignano, Dario; Beltram, Fabio; Cecchini, Marco

    2013-09-03

    Spatiotemporal image correlation spectroscopy (STICS) is a simple and powerful technique, well established as a tool to probe protein dynamics in cells. Recently, its potential as a tool to map velocity fields in lab-on-a-chip systems was discussed. However, the lack of studies on its performance has prevented its use for microfluidics applications. Here, we systematically and quantitatively explore STICS microvelocimetry in microfluidic devices. We exploit a simple experimental setup, based on a standard bright-field inverted microscope (no fluorescence required) and a high-fps camera, and apply STICS to map liquid flow in polydimethylsiloxane (PDMS) microchannels. Our data demonstrates optimal 2D velocimetry up to 10 mm/s flow and spatial resolution down to 5 μm.

  13. Comparison of nanoparticle diffusion using fluorescence correlation spectroscopy and differential dynamic microscopy within concentrated polymer solutions

    Science.gov (United States)

    Shokeen, Namita; Issa, Christopher; Mukhopadhyay, Ashis

    2017-12-01

    We studied the diffusion of nanoparticles (NPs) within aqueous entangled solutions of polyethylene oxide (PEO) by using two different optical techniques. Fluorescence correlation spectroscopy, a method widely used to investigate nanoparticle dynamics in polymer solution, was used to measure the long-time diffusion coefficient (D) of 25 nm radius particles within high molecular weight, Mw = 600 kg/mol PEO in water solutions. Differential dynamic microscopy (DDM) was used to determine the wave-vector dependent dynamics of NPs within the same polymer solutions. Our results showed good agreement between the two methods, including demonstration of normal diffusion and almost identical diffusion coefficients obtained by both techniques. The research extends the scope of DDM to study the dynamics and rheological properties of soft matter at a nanoscale. The measured diffusion coefficients followed a scaling theory, which can be explained by the coupling between polymer dynamics and NP motion.

  14. Fluorescence Correlation Spectroscopy to Study Diffusion of Polymer Chains within Layered Hydrogen-Bonded Polymer Films

    Science.gov (United States)

    Pristinski, Denis; Kharlampieva, Evguenia; Sukhishvili, Svetlana

    2002-03-01

    Fluorescence Correlation Spectroscopy (FCS) has been used to probe molecular motions within polymer multilayers formed by hydrogen-bonding sequential self-assembly. Polyethylene glycol (PEG) molecules were end-labeled with the fluorescent tags, and self-assembled with polymethacrylic acid (PMAA) using layer-by-layer deposition. We have found that molecules included in the top adsorbed layer have significant mobility at the millisecond time scale, probably due to translational diffusion. However, their dynamics deviate from classical Brownian motion with a single diffusion time. Possible reasons for the deviation are discussed. We found that motions were significantly slowed with increasing depth within the PEG/PMAA multilayer. This phenomena occured in a narrow pH range around 4.0 in which intermolecular interactions were relatively weak.

  15. Sizes of water-soluble luminescent quantum dots measured by fluorescence correlation spectroscopy

    International Nuclear Information System (INIS)

    Zhang Pudun; Li Liang; Dong Chaoqing; Qian Huifeng; Ren Jicun

    2005-01-01

    In this paper, fluorescence correlation spectroscopy (FCS) was applied to measure the size of water-soluble quantum dots (QDs). The measurements were performed on a home-built FCS system based on the Stokes-Einstein equation. The obtained results showed that for bare CdTe QDs the sizes from FCS were larger than the ones from transmission electron microscopy (TEM). The brightness of QDs was also evaluated using FCS technique. It was found that the stability of the surface chemistry of QDs would be significantly improved by capping it with hard-core shell. Our data demonstrated that FCS is a simple, fast, and effective method for characterizing the fluorescent quantum dots, and is especially suitable for determining the fluorescent nanoparticles less than 10 nm in water solution

  16. Diffusing wave spectroscopy applied to material analysis and process control

    International Nuclear Information System (INIS)

    Lloyd, Christopher James

    1997-01-01

    Diffusing Wave Spectroscopy (DWS) was studied as a method of laboratory analysis of sub-micron particles, and developed as a prospective in-line, industrial, process control sensor, capable of near real-time feedback. No sample pre-treatment was required and measurement was via a non-invasive, flexible, dip in probe. DWS relies on the concept of the diffusive migration of light, as opposed to the ballistic scatter model used in conventional dynamic light scattering. The specific requirements of the optoelectronic hardware, data analysis methods and light scattering model were studied experimentally and, where practical, theoretically resulting in a novel technique of analysis of particle suspensions and emulsions of volume fractions between 0.01 and 0.4. Operation at high concentrations made the technique oblivious to dust and contamination. A pure homodyne (autodyne) experimental arrangement described was resilient to environmental disturbances, unlike many other systems which utilise optical fibres or heterodyne operation. Pilot and subsequent prototype development led to a highly accurate method of size ranking, suitable for analysis of a wide range of suspensions and emulsions. The technique was shown to operate on real industrial samples with statistical variance as low as 0.3% with minimal software processing. Whilst the application studied was the analysis of TiO 2 suspensions, a diverse range of materials including polystyrene beads, cell pastes and industrial cutting fluid emulsions were tested. Results suggest that, whilst all sizing should be comparative to suitable standards, concentration effects may be minimised and even completely modelled-out in many applications. Adhesion to the optical probe was initially a significant problem but was minimised after the evaluation and use of suitable non stick coating materials. Unexpected behaviour in the correlation in the region of short decay times led to consideration of the effects of rotational diffusion

  17. The importance of including local correlation times in the calculation of inter-proton distances from NMR measurements: ignoring local correlation times leads to significant errors in the conformational analysis of the Glc alpha1-2Glc alpha linkage by NMR spectroscopy.

    Science.gov (United States)

    Mackeen, Mukram; Almond, Andrew; Cumpstey, Ian; Enis, Seth C; Kupce, Eriks; Butters, Terry D; Fairbanks, Antony J; Dwek, Raymond A; Wormald, Mark R

    2006-06-07

    The experimental determination of oligosaccharide conformations has traditionally used cross-linkage 1H-1H NOE/ROEs. As relatively few NOEs are observed, to provide sufficient conformational constraints this method relies on: accurate quantification of NOE intensities (positive constraints); analysis of absent NOEs (negative constraints); and hence calculation of inter-proton distances using the two-spin approximation. We have compared the results obtained by using 1H 2D NOESY, ROESY and T-ROESY experiments at 500 and 700 MHz to determine the conformation of the terminal Glc alpha1-2Glc alpha linkage in a dodecasaccharide and a related tetrasaccharide. For the tetrasaccharide, the NOESY and ROESY spectra produced the same qualitative pattern of linkage cross-peaks but the quantitative pattern, the relative peak intensities, was different. For the dodecasaccharide, the NOESY and ROESY spectra at 500 MHz produced a different qualitative pattern of linkage cross-peaks, with fewer peaks in the NOESY spectrum. At 700 MHz, the NOESY and ROESY spectra of the dodecasaccharide produced the same qualitative pattern of peaks, but again the relative peak intensities were different. These differences are due to very significant differences in the local correlation times for different proton pairs across this glycosidic linkage. The local correlation time for each proton pair was measured using the ratio of the NOESY and T-ROESY cross-relaxation rates, leaving the NOESY and ROESY as independent data sets for calculating the inter-proton distances. The inter-proton distances calculated including the effects of differences in local correlation times give much more consistent results.

  18. System Reliability Analysis Considering Correlation of Performances

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Saekyeol; Lee, Tae Hee [Hanyang Univ., Seoul (Korea, Republic of); Lim, Woochul [Mando Corporation, Seongnam (Korea, Republic of)

    2017-04-15

    Reliability analysis of a mechanical system has been developed in order to consider the uncertainties in the product design that may occur from the tolerance of design variables, uncertainties of noise, environmental factors, and material properties. In most of the previous studies, the reliability was calculated independently for each performance of the system. However, the conventional methods cannot consider the correlation between the performances of the system that may lead to a difference between the reliability of the entire system and the reliability of the individual performance. In this paper, the joint probability density function (PDF) of the performances is modeled using a copula which takes into account the correlation between performances of the system. The system reliability is proposed as the integral of joint PDF of performances and is compared with the individual reliability of each performance by mathematical examples and two-bar truss example.

  19. Metrics correlation and analysis service (MCAS)

    International Nuclear Information System (INIS)

    Baranovski, Andrew; Dykstra, Dave; Garzoglio, Gabriele; Hesselroth, Ted; Mhashilkar, Parag; Levshina, Tanya

    2010-01-01

    The complexity of Grid workflow activities and their associated software stacks inevitably involves multiple organizations, ownership, and deployment domains. In this setting, important and common tasks such as the correlation and display of metrics and debugging information (fundamental ingredients of troubleshooting) are challenged by the informational entropy inherent to independently maintained and operated software components. Because such an information pool is disorganized, it is a difficult environment for business intelligence analysis i.e. troubleshooting, incident investigation, and trend spotting. The mission of the MCAS project is to deliver a software solution to help with adaptation, retrieval, correlation, and display of workflow-driven data and of type-agnostic events, generated by loosely coupled or fully decoupled middleware.

  20. Metrics correlation and analysis service (MCAS)

    International Nuclear Information System (INIS)

    Baranovski, Andrew; Dykstra, Dave; Garzoglio, Gabriele; Hesselroth, Ted; Mhashilkar, Parag; Levshina, Tanya

    2009-01-01

    The complexity of Grid workflow activities and their associated software stacks inevitably involves multiple organizations, ownership, and deployment domains. In this setting, important and common tasks such as the correlation and display of metrics and debugging information (fundamental ingredients of troubleshooting) are challenged by the informational entropy inherent to independently maintained and operated software components. Because such an information 'pond' is disorganized, it a difficult environment for business intelligence analysis i.e. troubleshooting, incident investigation and trend spotting. The mission of the MCAS project is to deliver a software solution to help with adaptation, retrieval, correlation, and display of workflow-driven data and of type-agnostic events, generated by disjoint middleware.

  1. System Reliability Analysis Considering Correlation of Performances

    International Nuclear Information System (INIS)

    Kim, Saekyeol; Lee, Tae Hee; Lim, Woochul

    2017-01-01

    Reliability analysis of a mechanical system has been developed in order to consider the uncertainties in the product design that may occur from the tolerance of design variables, uncertainties of noise, environmental factors, and material properties. In most of the previous studies, the reliability was calculated independently for each performance of the system. However, the conventional methods cannot consider the correlation between the performances of the system that may lead to a difference between the reliability of the entire system and the reliability of the individual performance. In this paper, the joint probability density function (PDF) of the performances is modeled using a copula which takes into account the correlation between performances of the system. The system reliability is proposed as the integral of joint PDF of performances and is compared with the individual reliability of each performance by mathematical examples and two-bar truss example.

  2. N-15 analysis by emission spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1983-12-31

    The stable isotope of nitrogen, N-15, has become widely used as tracer in agriculture, medicine and biology research. The film gives an overview of the sample preparation and analytical procedures followed in the analysis of the nitrogen isotopic composition (14N/15N ratio) by optical emission spectrometry at the Seibersdorf Laboratory. The subsampling of plant material and the several steps of chemical pretreatment such as Kjeldahl digestion, distillation, titration and adjustment of the proper N concentration in the extract are demonstrated. The preparation of the discharge tubes is shown in detail. Final measurement of the 14N/15N ratio is carried out with the NOI-5 and JASCO emission spectrometers

  3. Linearly Polarized IR Spectroscopy Theory and Applications for Structural Analysis

    CERN Document Server

    Kolev, Tsonko

    2011-01-01

    A technique that is useful in the study of pharmaceutical products and biological molecules, polarization IR spectroscopy has undergone continuous development since it first emerged almost 100 years ago. Capturing the state of the science as it exists today, "Linearly Polarized IR Spectroscopy: Theory and Applications for Structural Analysis" demonstrates how the technique can be properly utilized to obtain important information about the structure and spectral properties of oriented compounds. The book starts with the theoretical basis of linear-dichroic infrared (IR-LD) spectroscop

  4. Bremsstrahlung Based Positron Annihilation Spectroscopy for Material Defect Analysis

    International Nuclear Information System (INIS)

    Selim, F.A.; Wells, D.P.; Harmon, F.; Kwofie, J.; Lancaster, G.; Jones, J.L.

    2003-01-01

    The Idaho Accelerator Center (IAC) has developed new techniques for Positron Annihilation Spectroscopy (PAS) using highly penetrating γ-rays to create positrons inside the material via pair production. γ-Ray induced positron annihilation spectroscopy can provide highly penetrating probes for material characterization and defect analysis. Bremsstrahlung beams from small, pulsed electron Linacs (6 MeV) have been used to bombard the materials to generate positrons, which annihilate with the material electrons emitting 511 keV radiation. We have also synchronized bremsstrahlung pulses with laser irradiation pulses to study dynamic structural changes in material. In addition, we have developed another method using (p,γ) reactions from a 2 MeV proton beam, which induce coincident γ-rays to perform positron life-time spectroscopy. We have showed the feasibility of extending PAS into thick samples and a wide variety of materials and industrial applications

  5. Analysis of DNA interactions using single-molecule force spectroscopy.

    Science.gov (United States)

    Ritzefeld, Markus; Walhorn, Volker; Anselmetti, Dario; Sewald, Norbert

    2013-06-01

    Protein-DNA interactions are involved in many biochemical pathways and determine the fate of the corresponding cell. Qualitative and quantitative investigations on these recognition and binding processes are of key importance for an improved understanding of biochemical processes and also for systems biology. This review article focusses on atomic force microscopy (AFM)-based single-molecule force spectroscopy and its application to the quantification of forces and binding mechanisms that lead to the formation of protein-DNA complexes. AFM and dynamic force spectroscopy are exciting tools that allow for quantitative analysis of biomolecular interactions. Besides an overview on the method and the most important immobilization approaches, the physical basics of the data evaluation is described. Recent applications of AFM-based force spectroscopy to investigate DNA intercalation, complexes involving DNA aptamers and peptide- and protein-DNA interactions are given.

  6. Characterization of protein adsorption onto FePt nanoparticles using dual-focus fluorescence correlation spectroscopy

    Directory of Open Access Journals (Sweden)

    Pauline Maffre

    2011-07-01

    Full Text Available Using dual-focus fluorescence correlation spectroscopy, we have analyzed the adsorption of three human blood serum proteins, namely serum albumin, apolipoprotein A-I and apolipoprotein E4, onto polymer-coated, fluorescently labeled FePt nanoparticles (~12 nm diameter carrying negatively charged carboxyl groups on their surface. For all three proteins, a step-wise increase in hydrodynamic radius with protein concentration was observed, strongly suggesting the formation of protein monolayers that enclose the nanoparticles. Consistent with this interpretation, the absolute increase in hydrodynamic radius can be correlated with the molecular shapes of the proteins known from X-ray crystallography and solution experiments, indicating that the proteins bind on the nanoparticles in specific orientations. The equilibrium dissociation coefficients, measuring the affinity of the proteins to the nanoparticles, were observed to differ by almost four orders of magnitude. These variations can be understood in terms of the electrostatic properties of the proteins. From structure-based calculations of the surface potentials, positively charged patches of different extents can be revealed, through which the proteins interact electrostatically with the negatively charged nanoparticle surfaces.

  7. Effects of surface topography on SERS response: Correlating nanoscopy with spectroscopy

    Science.gov (United States)

    Das, Sumit Kumar; Ghosh, Manash; Chowdhury, Joydeep

    2018-05-01

    This paper reports for the first time the hidden correlation between the topographical features of the bilayer Langmuir-Blodgett (LB) film substrates of stearic acid (SA) incubated in Au@Ag nanocolloids over various dipping times (DTs) with their corresponding SERS responses. The topographies of the as prepared substrates are investigated from the statistical considerations in terms of lateral correlation length, interface width, Hurst and Lyapnov exponents. The real space of the substrates are mapped directly from the FESEM and AFM images of the bilayer LB film of SA immersed in Au@Ag nanocolloids over various DTs ranging between 6 and 72 h. The SERS spectra of the Rhodamine 6G molecules adsorbed on the as prepared substrates have been reported. The statistical parameters of the substrates that exhibit maximum SERS efficacy have been suggested. The far field distributions in presence and in absence of Raman dipole together with spatial distribution of the near field from the hottest spot of the as prepared substrate have also been reported. To our knowledge, this is the first report that links nanoscopy with SERS spectroscopy from statistical considerations and is expected to open a new window towards the fabrication of more efficient and reproducible SERS active substrates in future endeavours.

  8. Determination of Dynamics of Plant Plasma Membrane Proteins with Fluorescence Recovery and Raster Image Correlation Spectroscopy.

    Science.gov (United States)

    Laňková, Martina; Humpolíčková, Jana; Vosolsobě, Stanislav; Cit, Zdeněk; Lacek, Jozef; Čovan, Martin; Čovanová, Milada; Hof, Martin; Petrášek, Jan

    2016-04-01

    A number of fluorescence microscopy techniques are described to study dynamics of fluorescently labeled proteins, lipids, nucleic acids, and whole organelles. However, for studies of plant plasma membrane (PM) proteins, the number of these techniques is still limited because of the high complexity of processes that determine the dynamics of PM proteins and the existence of cell wall. Here, we report on the usage of raster image correlation spectroscopy (RICS) for studies of integral PM proteins in suspension-cultured tobacco cells and show its potential in comparison with the more widely used fluorescence recovery after photobleaching method. For RICS, a set of microscopy images is obtained by single-photon confocal laser scanning microscopy (CLSM). Fluorescence fluctuations are subsequently correlated between individual pixels and the information on protein mobility are extracted using a model that considers processes generating the fluctuations such as diffusion and chemical binding reactions. As we show here using an example of two integral PM transporters of the plant hormone auxin, RICS uncovered their distinct short-distance lateral mobility within the PM that is dependent on cytoskeleton and sterol composition of the PM. RICS, which is routinely accessible on modern CLSM instruments, thus represents a valuable approach for studies of dynamics of PM proteins in plants.

  9. Monitoring the staling of wheat bread using 2D MIR-NIR correlation spectroscopy

    DEFF Research Database (Denmark)

    Ringsted, Tine; Siesler, Heinz Wilhelm; Engelsen, Søren Balling

    2017-01-01

    Staling of bread is a major source of food waste and efficient monitoring of it can help the food industry in the development of anti-staling recipes. While the staling fingerprint in the mid-infrared region is fairly well established this paper set out to find the most informative parts...... of the near-infrared spectra with respect to staling. For this purpose, two-dimensional correlation spectroscopy on near- and mid-infrared spectra of wheat bread crumb during aging was employed for the first time. The important mid-infrared absorption band at 1047 cm−1 related to amylopectin retrogradation...... was found to correlate positively with increased bread hardness and to co-vary with the near-infrared band at 910 nm in the short wavelength region (r2 = 0.88 to hardness), the near-infrared band at 1688 nm in the 1. overtone region (r2 = 0.97 to hardness) and to the near-infrared band in the long...

  10. Integration of Correlative Raman microscopy in a dual beam FIB-SEM J. of Raman Spectroscopy

    NARCIS (Netherlands)

    Timmermans, Frank Jan; Liszka, B.; Lenferink, Aufrid T.M.; van Wolferen, Hendricus A.G.M.; Otto, Cornelis

    2016-01-01

    We present an integrated confocal Raman microscope in a focused ion beam scanning electron microscope (FIB SEM). The integrated system enables correlative Raman and electron microscopic analysis combined with focused ion beam sample modification on the same sample location. This provides new

  11. Neural correlates of dual-task effect on belief-bias syllogistic reasoning: a near-infrared spectroscopy study.

    Science.gov (United States)

    Tsujii, Takeo; Watanabe, Shigeru

    2009-09-01

    Recent dual-process reasoning theories have explained the belief-bias effect, the tendency for human reasoning to be erroneously biased when logical conclusions are incongruent with beliefs about the world, by proposing a belief-based automatic heuristic system and logic-based demanding analytic system. Although these claims are supported by the behavioral finding that high-load secondary tasks enhance the belief-bias effect, the neural correlates of dual-task reasoning remain unknown. The present study therefore examined the relationship between dual-task effect and activity in the inferior frontal cortex (IFC) during belief-bias reasoning by near-infrared spectroscopy (NIRS). Forty-eight subjects participated in this study (MA=23.46 years). They were required to perform congruent and incongruent reasoning trials while responding to high- and low-load secondary tasks. Behavioral analysis showed that the high-load secondary task impaired only incongruent reasoning performance. NIRS analysis found that the high-load secondary task decreased right IFC activity during incongruent trials. Correlation analysis showed that subjects with enhanced right IFC activity could perform better in the incongruent reasoning trials, though subjects for whom right IFC activity was impaired by the secondary task could not maintain better reasoning performance. These findings suggest that the right IFC may be responsible for the dual-task effect in conflicting reasoning processes. When secondary tasks impair right IFC activity, subjects may rely on the automatic heuristic system, which results in belief-bias responses. We therefore offer the first demonstration of neural correlates of dual-task effect on IFC activity in belief-bias reasoning.

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

    Science.gov (United States)

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

    2010-12-01

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

  13. spectroscopy

    African Journals Online (AJOL)

    Aghomotsegin

    2015-10-14

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

  14. Positron annihilation spectroscopy for chemical analysis (PASCA). Chapter 9

    International Nuclear Information System (INIS)

    Cheng, K.L.; Jean, Y.C.

    1988-01-01

    This chapter gives an up to date overview of positron annihilation spectroscopy for chemical analysis (PASCA). As an in situ technique PASCA is especially suitable for studying processes occurring at surfaces. The in situ characteristics of PASCA are treated. The principes of positron annihilation life time spectroscopy (PAL) are discussed and some important analytical applications such as, in determining of total surface areas and cavity volumes in chemical reactions, in the study of chemisorption and catalytic reactions on porous surfaces, in the analysis of bulk materials, in determining molecular association constants in biological systems, in proton and neutron activation analysis, in thin layer chromatography and in tracer technology. 28 refs.; 15 figs.; 8 tabs

  15. Imperial College near infrared spectroscopy neuroimaging analysis framework.

    Science.gov (United States)

    Orihuela-Espina, Felipe; Leff, Daniel R; James, David R C; Darzi, Ara W; Yang, Guang-Zhong

    2018-01-01

    This paper describes the Imperial College near infrared spectroscopy neuroimaging analysis (ICNNA) software tool for functional near infrared spectroscopy neuroimaging data. ICNNA is a MATLAB-based object-oriented framework encompassing an application programming interface and a graphical user interface. ICNNA incorporates reconstruction based on the modified Beer-Lambert law and basic processing and data validation capabilities. Emphasis is placed on the full experiment rather than individual neuroimages as the central element of analysis. The software offers three types of analyses including classical statistical methods based on comparison of changes in relative concentrations of hemoglobin between the task and baseline periods, graph theory-based metrics of connectivity and, distinctively, an analysis approach based on manifold embedding. This paper presents the different capabilities of ICNNA in its current version.

  16. MR spectroscopy of prostate cancer: correlation study of metabolic characters with Gleason score

    International Nuclear Information System (INIS)

    Wang Xiaoying; Li Feiyu; Jiang Xuexiang; Shan Gangzhi; Zhou Liangping; Ding Jianping

    2006-01-01

    Objective: Using magnetic resonance spectroscopy (MRS) to measure the metabolic ratio [(choline + creatine)/citrate, CC/C] of prostate cancer(PCa) and to probe the correlation between the value of CC/C ratio and Gleason score. Methods: Twenty-one cases of PCa proved by operation or systemic biopsy were examined by MRS. The prostate was divided into 6 regions (left/right bottom, middle and tip), and the CC/C value of each region was measured. After biopsy, all the puncture locations were marked and enrolled in one of the regions mentioned above and the Gleason scores were recorded. The ratio of CC/C measured by MRS was compared with Gleason score in the corresponding regions. Results: The average CC/C ratio of the 74 regions with PCa was 2.13±0.82, whereas the average CC/C ratio of the 52 regions without PCa was 0.59±0.20. The difference of CC/C value was statistically significant (t=7.72, P=0.00). The ratios of CC/C in the regions of PCa were correlated with Gleason score (r=0.659, P=0.01). In group 1 (Gleason score≥7), the average CC/C ratio was 2.61±0.79. However, in group 2 (Gleasonscore <7) the average CC/C ratio was 1.69±0.59. There was statistically difference between the two groups (t=3.06, P=0.01). Conclusion: The metabolic ratio of CC/C is correlated to the Gleason score of PCa. MRS may be a useful method to evaluate the malignancy of PCa noninvasively. (authors)

  17. Validation of mid-infrared spectroscopy for macronutrient analysis of human milk.

    Science.gov (United States)

    Parat, S; Groh-Wargo, S; Merlino, S; Wijers, C; Super, D M

    2017-07-01

    Human milk has considerable variation in its composition. Hence, the nutrient profile is only an estimate and can result in under- or over-estimation of the intake of preterm infants. Mid-infrared (MIR) spectroscopy is an evolving technique for analyzing human milk but needs validation before use in clinical practice. Human milk samples from 35 mothers delivering at 35 weeks to term gestation were analyzed for macronutrients by MIR spectroscopy and by standard laboratory methods using Kjeldahl assay for protein, Mojonnier assay for fat and high-pressure liquid chromatography assay for lactose. MIR analysis of the macronutrients in human milk correlated well with standard laboratory tests with intraclass correlation coefficients of 0.997 for fat, 0.839 for protein and 0.776 for lactose. Agreement between the two methods was excellent for fat, and moderate for protein and lactose (Pmilk. Agreement between the methodologies varies by macronutrient.

  18. Rapid identification of Pterocarpus santalinus and Dalbergia louvelii by FTIR and 2D correlation IR spectroscopy

    Science.gov (United States)

    Zhang, Fang-Da; Xu, Chang-Hua; Li, Ming-Yu; Huang, An-Min; Sun, Su-Qin

    2014-07-01

    Since Pterocarpus santalinus and Dalbergia louvelii, which are of precious Rosewood, are very similar in their appearance and anatomy characteristics, cheaper Hongmu D. louvelii is often illegally used to impersonate valuable P. santalinus, especially in Chinese furniture manufacture. In order to develop a rapid and effective method for easy confused wood furniture differentiation, we applied tri-step identification method, i.e., conventional infrared spectroscopy (FT-IR), second derivative infrared (SD-IR) spectroscopy and two-dimensional correlation infrared (2DCOS-IR) spectroscopy to investigate P. santalinus and D. louvelii furniture. According to FT-IR and SD-IR spectra, it has been found two unconditional stable difference at 848 cm-1 and 700 cm-1 and relative stable differences at 1735 cm-1, 1623 cm-1, 1614 cm-1, 1602 cm-1, 1509 cm-1, 1456 cm-1, 1200 cm-1, 1158 cm-1, 1055 cm-1, 1034 cm-1 and 895 cm-1 between D. louvelii and P. santalinus IR spectra. The stable discrepancy indicates that the category of extractives is different between the two species. Besides, the relative stable differences imply that the content of holocellulose in P. santalinus is more than that of D. louvelii, whereas the quantity of extractives in D. louvelii is higher. Furthermore, evident differences have been observed in their 2DCOS-IR spectra of 1550-1415 cm-1 and 1325-1030 cm-1. P. santalinus has two strong auto-peaks at 1459 cm-1 and 1467 cm-1, three mid-strong auto-peaks at 1518 cm-1, 1089 cm-1 and 1100 cm-1 and five weak auto-peaks at 1432 cm-1, 1437 cm-1, 1046 cm-1, 1056 cm-1 and 1307 cm-1 while D. louvelii has four strong auto-peaks at 1465 cm-1, 1523 cm-1, 1084 cm-1 and 1100 cm-1, four mid-strong auto-peaks at 1430 cm-1, 1499 cm-1, 1505 cm-1 and 1056 cm-1 and two auto-peaks at 1540 cm-1 and 1284 cm-1. This study has proved that FT-IR integrated with 2DCOS-IR could be applicable for precious wood furniture authentication in a direct, rapid and holistic manner.

  19. Chemical profiling and adulteration screening of Aquilariae Lignum Resinatum by Fourier transform infrared (FT-IR) spectroscopy and two-dimensional correlation infrared (2D-IR) spectroscopy.

    Science.gov (United States)

    Qu, Lei; Chen, Jian-Bo; Zhang, Gui-Jun; Sun, Su-Qin; Zheng, Jing

    2017-03-05

    As a kind of expensive perfume and valuable herb, Aquilariae Lignum Resinatum (ALR) is often adulterated for economic motivations. In this research, Fourier transform infrared (FT-IR) spectroscopy is employed to establish a simple and quick method for the adulteration screening of ALR. First, the principal chemical constituents of ALR are characterized by FT-IR spectroscopy at room temperature and two-dimensional correlation infrared (2D-IR) spectroscopy with thermal perturbation. Besides the common cellulose and lignin compounds, a certain amount of resin is the characteristic constituent of ALR. Synchronous and asynchronous 2D-IR spectra indicate that the resin (an unstable secondary metabolite) is more sensitive than cellulose and lignin (stable structural constituents) to the thermal perturbation. Using a certified ALR sample as the reference, the infrared spectral correlation threshold is determined by 30 authentic samples and 6 adulterated samples. The spectral correlation coefficient of an authentic ALR sample to the standard reference should be not less than 0.9886 (p=0.01). Three commercial adulterated ALR samples are identified by the correlation threshold. Further interpretation of the infrared spectra of the adulterated samples indicates the common adulterating methods - counterfeiting with other kind of wood, adding ingredient such as sand to increase the weight, and adding the cheap resin such as rosin to increase the content of resin compounds. Results of this research prove that FT-IR spectroscopy can be used as a simple and accurate quality control method of ALR. Copyright © 2016 Elsevier B.V. All rights reserved.

  20. Linearized spectrum correlation analysis for line emission measurements.

    Science.gov (United States)

    Nishizawa, T; Nornberg, M D; Den Hartog, D J; Sarff, J S

    2017-08-01

    A new spectral analysis method, Linearized Spectrum Correlation Analysis (LSCA), for charge exchange and passive ion Doppler spectroscopy is introduced to provide a means of measuring fast spectral line shape changes associated with ion-scale micro-instabilities. This analysis method is designed to resolve the fluctuations in the emission line shape from a stationary ion-scale wave. The method linearizes the fluctuations around a time-averaged line shape (e.g., Gaussian) and subdivides the spectral output channels into two sets to reduce contributions from uncorrelated fluctuations without averaging over the fast time dynamics. In principle, small fluctuations in the parameters used for a line shape model can be measured by evaluating the cross spectrum between different channel groupings to isolate a particular fluctuating quantity. High-frequency ion velocity measurements (100-200 kHz) were made by using this method. We also conducted simulations to compare LSCA with a moment analysis technique under a low photon count condition. Both experimental and synthetic measurements demonstrate the effectiveness of LSCA.

  1. [Structure analysis of disease-related proteins using vibrational spectroscopy].

    Science.gov (United States)

    Hiramatsu, Hirotsugu

    2014-01-01

    Analyses of the structure and properties of identified pathogenic proteins are important for elucidating the molecular basis of diseases and in drug discovery research. Vibrational spectroscopy has advantages over other techniques in terms of sensitivity of detection of structural changes. Spectral analysis, however, is complicated because the spectrum involves a substantial amount of information. This article includes examples of structural analysis of disease-related proteins using vibrational spectroscopy in combination with additional techniques that facilitate data acquisition and analysis. Residue-specific conformation analysis of an amyloid fibril was conducted using IR absorption spectroscopy in combination with (13)C-isotope labeling, linear dichroism measurement, and analysis of amide I band features. We reveal a pH-dependent property of the interacting segment of an amyloidogenic protein, β2-microglobulin, which causes dialysis-related amyloidosis. We also reveal the molecular mechanisms underlying pH-dependent sugar-binding activity of human galectin-1, which is involved in cell adhesion, using spectroscopic techniques including UV resonance Raman spectroscopy. The decreased activity at acidic pH was attributed to a conformational change in the sugar-binding pocket caused by protonation of His52 (pKa 6.3) and the cation-π interaction between Trp68 and the protonated His44 (pKa 5.7). In addition, we show that the peak positions of the Raman bands of the C4=C5 stretching mode at approximately 1600 cm(-1) and the Nπ-C2-Nτ bending mode at approximately 1405 cm(-1) serve as markers of the His side-chain structure. The Raman signal was enhanced 12 fold using a vertical flow apparatus.

  2. Correlation between the local stress and the grain misorientation in the polycrystalline Al2O3 measured by near-field luminescence spectroscopy

    Science.gov (United States)

    Tomimatsu, Toru; Takigawa, Ryo

    2018-06-01

    Owing to its high spatial resolution, near-field spectroscopy is a useful method for sensing the stress in a narrow region of submicron order. Here, on the basis of the highly resolved images obtained by near-field luminescence spectroscopy, we propose a statistical method of analyzing grain anisotropy-induced stress in polycrystalline Al2O3. We focus on two characteristics of a spectra: the intensity ratio and peak shift of luminescence of two lines (R1 and R2) from Al2O3 to discuss crystal orientation and stress, respectively. By incorporating the concept of the crystal misorientation parameter using intensity ratio, an apparent correlation between the magnitude of stress and the misorientation is found. This correlation analysis provides an important insight for the investigation of local thermal stress in Al2O3.

  3. A Nth-order linear algorithm for extracting diffuse correlation spectroscopy blood flow indices in heterogeneous tissues.

    Science.gov (United States)

    Shang, Yu; Yu, Guoqiang

    2014-09-29

    Conventional semi-infinite analytical solutions of correlation diffusion equation may lead to errors when calculating blood flow index (BFI) from diffuse correlation spectroscopy (DCS) measurements in tissues with irregular geometries. Very recently, we created an algorithm integrating a N th-order linear model of autocorrelation function with the Monte Carlo simulation of photon migrations in homogenous tissues with arbitrary geometries for extraction of BFI (i.e., αD B ). The purpose of this study is to extend the capability of the N th-order linear algorithm for extracting BFI in heterogeneous tissues with arbitrary geometries. The previous linear algorithm was modified to extract BFIs in different types of tissues simultaneously through utilizing DCS data at multiple source-detector separations. We compared the proposed linear algorithm with the semi-infinite homogenous solution in a computer model of adult head with heterogeneous tissue layers of scalp, skull, cerebrospinal fluid, and brain. To test the capability of the linear algorithm for extracting relative changes of cerebral blood flow (rCBF) in deep brain, we assigned ten levels of αD B in the brain layer with a step decrement of 10% while maintaining αD B values constant in other layers. Simulation results demonstrate the accuracy (errors model simplifies data analysis, thus allowing for online data processing and displaying. Future study will test this linear algorithm in heterogeneous tissues with different levels of blood flow variations and noises.

  4. Linear correlation for identification of materials by laser induced breakdown spectroscopy: Improvement via spectral filtering and masking

    Energy Technology Data Exchange (ETDEWEB)

    Gornushkin, I.B., E-mail: igor.gornushkin@bam.d [BAM Federal Institute for Materials Research and Testing, Berlin (Germany); Panne, U. [BAM Federal Institute for Materials Research and Testing, Berlin (Germany); Winefordner, J.D. [University of Florida, Gainesville, Florida (United States)

    2009-10-15

    The purpose of this work is to improve the performance of a linear correlation method used for material identification in laser induced breakdown spectroscopy. The improved correlation procedure is proposed based on the selection and use of only essential spectral information and ignoring empty spectral fragments. The method is tested on glass samples of forensic interest. The 100% identification capability of the new method is demonstrated in contrast to the traditional approach where the identification rate falls below 100% for many samples.

  5. Diagnosis of non-exudative (DRY) age related macular degeneration by non-invasive photon-correlation spectroscopy.

    Science.gov (United States)

    Fankhauser, Franz Ii; Ott, Maria; Munteanu, Mihnea

    2016-01-01

    Photon-correlation spectroscopy (PCS) (quasi-elastic light scattering spectroscopy, dynamic light scattering spectroscopy) allows the non-invasively reveal of local dynamics and local heterogeneities of macromolecular systems. The capability of this technique to diagnose the retinal pathologies by in-vivo investigations of spatial anomalies of retinas displaying non-exudative senile macular degeneration was evaluated. Further, the potential use of the technique for the diagnosis of the macular degeneration was analyzed and displayed by the Receiver Operating Curve (ROC). The maculae and the peripheral retina of 73 normal eyes and of 26 eyes afflicted by an early stage of non-exudative senile macular degeneration were characterized by time-correlation functions and analyzed in terms of characteristic decay times and apparent size distributions. The characteristics of the obtained time-correlation functions of the eyes afflicted with nonexudative macular degeneration and of normal eyes differed significantly, which could be referred to a significant change of the nano- and microstructure of the investigated pathologic maculas. Photon-correlation spectroscopy is able to assess the macromolecular and microstructural aberrations in the macula afflicted by non-exudative, senile macular degeneration. It has been demonstrated that macromolecules of this disease show a characteristic abnormal behavior in the macula.

  6. a Study of the Concentration Dependence of Macromolecular Diffusion Using Photon Correlation Spectroscopy.

    Science.gov (United States)

    Marlowe, Robert Lloyd

    The dynamic light scattering technique of photon correlation spectroscopy has been used to investigate the dependence of the mutual diffusion coefficient of a macromolecular system upon concentration. The first part of the research was devoted to the design and construction of a single-clipping autocorrelator based on newly-developed integrated circuits. The resulting 128 channel instrument can perform real time autocorrelation for sample time intervals >(, )10 (mu)s, and batch processed autocorrelation for intervals down to 3 (mu)s. An improved design for a newer, all-digital autocorrelator is given. Homodyne light scattering experiments were then undertaken on monodisperse solutions of polystyrene spheres. The single-mode TEM(,oo) beam of an argon-ion laser ((lamda) = 5145 (ANGSTROM)) was used as the light source; all solutions were studied at room temperature. The scattering angle was varied from 30(DEGREES) to 110(DEGREES). Excellent agreement with the manufacturer's specification for the particle size was obtained from the photon correlation studies. Finally, aqueous solutions of the globular protein ovalbumin, ranging in concentration from 18.9 to 244.3 mg/ml, were illuminated under the same conditions of temperature and wavelength as before; the homodyne scattered light was detected at a fixed scattering angle of 30(DEGREES). The single-clipped photocount autocorrelation function was analyzed using the homodyne exponential integral method of Meneely et al. The resulting diffusion coefficients showed a general linear dependence upon concentration, as predicted by the generalized Stokes-Einstein equation. However, a clear peak in the data was evident at c (TURNEQ) 100 mg/ml, which could not be explained on the basis of a non -interacting particle theory. A semi-quantitative approach based on the Debye-Huckel theory of electrostatic interactions is suggested as the probable cause for the peak's rise, and an excluded volume effect for its decline.

  7. Investigation of hyperfine interactions in DNA nitrogenous bases using perturbed angular correlation spectroscopy

    International Nuclear Information System (INIS)

    Silva, Andreia dos Santos; Carbonari, Artur Wilson; Lapolli, Andre Luis; Saxena, Rajendra Narain; Saitovitch, Henrique

    2013-01-01

    Perturbed γγ angular correlations (PAC) spectroscopy has been used to study the DNA nitrogenous bases (adenine, cytosine, guanine, thymine), using 111 In→ 111 Cd and 111m Cd→ 111 Cd probe nuclei. One of the advantages of applying PAC technique to biological molecules is that the experiments can be carried out on molecules in aqueous solution [1], approaching the function of molecules under conditions that are close to in vivo conditions. The measurements were carried out for DNA nitrogenous bases molecules at 295 K and 77 K in order to investigate dynamic and static hyperfine interactions, respectively. The interpretation of the results was based on the measurements of dynamic interaction characterized by the decay constant from which valuable information on the macroscopic behavior of the molecules was obtained [2; 3]. On the other hand, PAC measurements at low temperature showed interaction frequency (ν Q ), asymmetry parameter (η) and the distribution of the quadrupole frequency (δ). These parameters provide a local microscopic description of the chemical environment in the neighborhood of the probe nuclei. Results showed differences in the hyperfine interactions of probe nuclei bound to the studied biomolecules. Such differences were observed by variations in the hyperfine parameters, which depended on the type of biomolecule and the results also showed that the probe nuclei bounded at the molecules in some cases and at others did not. (author)

  8. Photolithography and Fluorescence Correlation Spectroscopy used to examine the rates of exchange in reverse micelle systems

    Science.gov (United States)

    Norris, Zach; Mawson, Cara; Johnson, Kyron; Kessler, Sarah; Rebecca, Anne; Wolf, Nathan; Lim, Michael; Nucci, Nathaniel

    Reverse micelles are molecular complexes that encapsulate a nanoscale pool of water in a surfactant shell dissolved in non-polar solvent. These complexes have a wide range of applications, and in all cases, the degree to which reverse micelles (RM) exchange their contents is relevant for their use. Despite its importance, this aspect of RM behavior is poorly understood. Photolithography is employed here to create micro and nano scale fluidic systems in which mixing rates can be precisely measured using fluorescence correlation spectroscopy (FCS). Micro-channel patterns are etched using reactive ion etching process into a layer of silicon dioxide on crystalline silicon substrates. Solutions containing mixtures of reverse micelles, proteins, and fluorophores are placed into reservoirs in the patterns, while diffusion and exchange between RMs is monitored using a FCS system built from a modified confocal Raman spectrometer. Using this approach, the diffusion and exchange rates for RM systems are measured as a function of the components of the RM mixture. Funding provided by Rowan University.

  9. Evidence for atomic scale disorder in indium nitride from perturbed angular correlation spectroscopy

    International Nuclear Information System (INIS)

    Dogra, R; Shrestha, S K; Byrne, A P; Ridgway, M C; Edge, A V J; Vianden, R; Penner, J; Timmers, H

    2005-01-01

    The crystal lattice of bulk grains and state-of-the-art films of indium nitride was investigated at the atomic scale with perturbed angular correlation spectroscopy using the 111 In/Cd radioisotope probe. The probe was introduced during sample synthesis, by diffusion and by ion implantation. The mean quadrupole interaction frequency ν Q = 28 MHz was observed at the indium probe site in all types of indium nitride samples with broad frequency distributions. The observed small, but non-zero, asymmetry parameter indicates broken symmetry around the probe atoms. Results have been compared with theoretical calculations based on the point charge model. The consistency of the experimental results and their independence of the preparation technique suggest that the origin of the broad frequency distribution is inherent to indium nitride, indicating a high degree of disorder at the atomic scale. Due to the low dissociation temperature of indium nitride, furnace and rapid thermal annealing at atmospheric pressure reduce the lattice disorder only marginally

  10. Study of molybdenum oxide by means of Perturbed Angular Correlations (PAC) and Mössbauer spectroscopy

    CERN Multimedia

    Among transition-metal oxides, the molybdenum oxide compounds are particularly attractive due to the structural (2D) anisotropy and to the ability of the molybdenum ion to change its oxidation state. These properties make it suitable for applications on, e.g., chemical sensors, solar cells, catalytic and optoelectronic devices. At ISOLDE we aim studying the incorporation of selected dopants by ion implantation, using the nuclear techniques of Perturbed Angular Correlations (PAC) and Mössbauer spectroscopy (MS). Both techniques make use of highly diluted radioactive probe nuclei, which interact – as atomic-sized tips – with the host atoms and defects. The objectives of this project are to study at the atomic scale the probe’s local environment, its electronic configuration and polarization, the probe’s lattice sites, point defects and its recombination dynamics. In the case of e-$\\gamma$ PAC, the electron mobility on the host can be further studied, e.g., as a function of temperature.

  11. Quantitative measurement of intracellular transport of nanocarriers by spatio-temporal image correlation spectroscopy

    International Nuclear Information System (INIS)

    Coppola, S; Pozzi, D; De Sanctis, S Candeloro; Caracciolo, G; Digman, M A; Gratton, E

    2013-01-01

    Spatio-temporal image correlation spectroscopy (STICS) is a powerful technique for assessing the nature of particle motion in complex systems although it has been rarely used to investigate the intracellular dynamics of nanocarriers so far. Here we introduce a method for characterizing the mode of motion of nanocarriers and for quantifying their transport parameters on different length scales from single-cell to subcellular level. Using this strategy we were able to study the mechanisms responsible for the intracellular transport of DOTAP–DOPC/DNA (DOTAP: 1,2-dioleoyl-3-trimethylammonium-propane; DOPC: dioleoylphosphocholine) and DC-Chol–DOPE/DNA (DC-Chol: 3β-[N-(N,N-dimethylaminoethane)-carbamoyl] cholesterol; DOPE: dioleoylphosphatidylethanolamine) lipoplexes in CHO-K1 (CHO: Chinese hamster ovary) live cells. Measurement of both diffusion coefficients and velocity vectors (magnitude and direction) averaged over regions of the cell revealed the presence of distinct modes of motion. Lipoplexes diffused slowly on the cell surface (diffusion coefficient: D ≈ 0.003 μm 2 s −1 ). In the cytosol, the lipoplexes’ motion was characterized by active transport with average velocity v ≈ 0.03 μm 2 s −1 and random motion. The method permitted us to generate an intracellular transport map showing several regions of concerted motion of lipoplexes. (paper)

  12. Longitudinal, transcranial measurement of functional activation in the rat brain by diffuse correlation spectroscopy.

    Science.gov (United States)

    Blanco, Igor; Zirak, Peyman; Dragojević, Tanja; Castellvi, Clara; Durduran, Turgut; Justicia, Carles

    2017-10-01

    Neural activity is an important biomarker for the presence of neurodegenerative diseases, cerebrovascular alterations, and brain trauma; furthermore, it is a surrogate marker for treatment effects. These pathologies may occur and evolve in a long time-period, thus, noninvasive, transcutaneous techniques are necessary to allow a longitudinal follow-up. In the present work, we have customized noninvasive, transcutaneous, diffuse correlation spectroscopy (DCS) to localize changes in cerebral blood flow (CBF) induced by neural activity. We were able to detect changes in CBF in the somatosensory cortex by using a model of electrical forepaw stimulation in rats. The suitability of DCS measurements for longitudinal monitoring was demonstrated by performing multiple sessions with the same animals at different ages (from 6 to 18 months). In addition, functional DCS has been cross-validated by comparison with functional magnetic resonance imaging (fMRI) in the same animals in a subset of the time-points. The overall results obtained with transcutaneous DCS demonstrates that it can be utilized in longitudinal studies safely and reproducibly to locate changes in CBF induced by neural activity in the small animal brain.

  13. Quantitative measurement of intracellular transport of nanocarriers by spatio-temporal image correlation spectroscopy

    Science.gov (United States)

    Coppola, S.; Pozzi, D.; Candeloro De Sanctis, S.; Digman, M. A.; Gratton, E.; Caracciolo, G.

    2013-03-01

    Spatio-temporal image correlation spectroscopy (STICS) is a powerful technique for assessing the nature of particle motion in complex systems although it has been rarely used to investigate the intracellular dynamics of nanocarriers so far. Here we introduce a method for characterizing the mode of motion of nanocarriers and for quantifying their transport parameters on different length scales from single-cell to subcellular level. Using this strategy we were able to study the mechanisms responsible for the intracellular transport of DOTAP-DOPC/DNA (DOTAP: 1,2-dioleoyl-3-trimethylammonium-propane; DOPC: dioleoylphosphocholine) and DC-Chol-DOPE/DNA (DC-Chol: 3β-[N-(N,N-dimethylaminoethane)-carbamoyl] cholesterol; DOPE: dioleoylphosphatidylethanolamine) lipoplexes in CHO-K1 (CHO: Chinese hamster ovary) live cells. Measurement of both diffusion coefficients and velocity vectors (magnitude and direction) averaged over regions of the cell revealed the presence of distinct modes of motion. Lipoplexes diffused slowly on the cell surface (diffusion coefficient: D ≈ 0.003 μm2 s-1). In the cytosol, the lipoplexes’ motion was characterized by active transport with average velocity v ≈ 0.03 μm2 s-1 and random motion. The method permitted us to generate an intracellular transport map showing several regions of concerted motion of lipoplexes.

  14. Heat shock-induced interactions among nuclear HSFs detected by fluorescence cross-correlation spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Pack, Chan-Gi, E-mail: changipack@amc.seoul.kr [Asan Institute for Life Sciences, University of Ulsan, College of Medicine, Asan Medical Center, Seoul 138-736 (Korea, Republic of); Ahn, Sang-Gun [Dept. of Pathology, College of Dentistry, Chosun University, Seosuk-dong, Dong-gu, Gwangju 501-759 (Korea, Republic of)

    2015-07-31

    The cellular response to stress is primarily controlled in cells via transcriptional activation by heat shock factor 1 (HSF1). HSF1 is well-known to form homotrimers for activation upon heat shock and subsequently bind to target DNAs, such as heat-shock elements, by forming stress granules. A previous study demonstrated that nuclear HSF1 and HSF2 molecules in live cells interacted with target DNAs on the stress granules. However, the process underlying the binding interactions of HSF family in cells upon heat shock remains unclear. This study demonstrate for the first time that the interaction kinetics among nuclear HSF1, HSF2, and HSF4 upon heat shock can be detected directly in live cells using dual color fluorescence cross-correlation spectroscopy (FCCS). FCCS analyses indicated that the binding between HSFs was dramatically changed by heat shock. Interestingly, the recovery kinetics of interaction between HSF1 molecules after heat shock could be represented by changes in the relative interaction amplitude and mobility. - Highlights: • The binding interactions among nuclear HSFs were successfully detected. • The binding kinetics between HSF1s during recovery was quantified. • HSF2 and HSF4 strongly formed hetero-complex, even before heat shock. • Nuclear HSF2 and HSF4 bound to HSF1 only after heat shock.

  15. Exchange-dynamics of a neutral hydrophobic dye in micellar solutions studied by Fluorescence Correlation Spectroscopy.

    Science.gov (United States)

    Bordello, Jorge; Novo, Mercedes; Al-Soufi, Wajih

    2010-05-15

    The dynamics of the exchange of the moderately hydrophobic neutral dye Coumarine 152 between the aqueous phase and the phase formed by neutral Triton X-100 micelles is studied by Fluorescence Correlation Spectroscopy. The changes in the photophysical properties of the dye in presence of the micelles are discussed. The low quantum yield, the low saturation threshold and the necessary high energetic excitation of this dye requires a careful selection of the experimental conditions in order to obtain dynamic and diffusional properties with reasonable precision. It is shown that the contrast between the brightness of free and bound dye has a strong influence on the sensitivity of the FCS experiment. The entry rate constant of the dye to the micelles, k(+)=(0.8±0.3)×10(10) M(-1) s(-1), is very near to the diffusion controlled limit. The high association equilibrium constant of K=(129±3)×10(3) M(-1) is mainly determined by the low exit rate constant, k(-)=(0.6±0.2)×10(5) s(-1). Copyright © 2010 Elsevier Inc. All rights reserved.

  16. Decreased microvascular cerebral blood flow assessed by diffuse correlation spectroscopy after repetitive concussions in mice.

    Science.gov (United States)

    Buckley, Erin M; Miller, Benjamin F; Golinski, Julianne M; Sadeghian, Homa; McAllister, Lauren M; Vangel, Mark; Ayata, Cenk; Meehan, William P; Franceschini, Maria Angela; Whalen, Michael J

    2015-12-01

    Repetitive concussions are associated with long-term cognitive dysfunction that can be attenuated by increasing the time intervals between concussions; however, biomarkers of the safest rest interval between injuries remain undefined. We hypothesize that deranged cerebral blood flow (CBF) is a candidate biomarker for vulnerability to repetitive concussions. Using a mouse model of human concussion, we examined the effect of single and repetitive concussions on cognition and on an index of CBF (CBFi) measured with diffuse correlation spectroscopy. After a single mild concussion, CBFi was reduced by 35±4% at 4 hours (Pconcussions spaced 1 day apart, CBFi was also reduced from preinjury levels 4 hours after each concussion but had returned to preinjury levels by 72 hours after the final concussion. Interestingly, in this repetitive concussion model, lower CBFi values measured both preinjury and 4 hours after the third concussion were associated with worse performance on the Morris water maze assessed 72 hours after the final concussion. We conclude that low CBFi measured either before or early on in the evolution of injury caused by repetitive concussions could be a useful predictor of cognitive outcome.

  17. Fluorescence correlation spectroscopy to study antibody binding and stoichiometry of complexes

    Science.gov (United States)

    Swift, Kerry M.; Matayoshi, Edmund D.

    2008-02-01

    FCS (fluorescence correlation spectroscopy) was used to study the association at the single molecule level of tumor necrosis factor alpha (TNF-α) and two of its protein antagonists Humira (TM) (adalimumab), a fully humanized monoclonal antibody, and Enbrel (TM) (etanercept), a soluble form of the TNF receptor. Single molecule approaches potentially have the advantage not only of enhanced sensitivity, but also of observing at equilibrium the details that would otherwise be lost in classical ensemble experiments where heterogeneity is averaged. We prepared fluorescent conjugates of the protein drugs and their biological target, the trimeric soluble form of TNF-α. The bivalency of adalimumab and the trimeric nature of TNF-α potentially allow several forms of associative complexes that may differ in stoichiometry. Detailed knowledge of this reaction may be relevant to understanding adalimumab's pharmacological properties. Our FCS data showed that a single trimeric TNF-α can bind up to three adalimumab molecules. Under some conditions even larger complexes are formed, apparently the result of cross-linking of TNF-α trimers by adalimumab. In addition, distinct differences between Humira and Enbrel were observed in their association with TNF-α.

  18. Dynamics and rheology under continuous shear flow studied by x-ray photon correlation spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Fluerasu, Andrei [Brookhaven National Laboratory, NSLS-II, Upton, NY 11973 (United States); Kwasniewski, Pawel; Caronna, Chiara; Madsen, Anders [European Synchrotron Radiation Facility, ID10 (Troika), Grenoble 38043 (France); Destremaut, Fanny; Salmon, Jean-Baptiste [LOF, UMR 5258 CNRS-Rhodia Bordeaux 1, 33608 Pessac (France)], E-mail: fluerasu@bnl.gov

    2010-03-15

    X-ray photon correlation spectroscopy (XPCS) has emerged as a unique technique allowing the measurement of dynamics of materials on mesoscopic lengthscales. One of the most common problems associated with the use of bright x-ray beams is beam-induced radiation damage, and this is likely to become an even more limiting factor at future synchrotron and free-electron laser sources. Flowing the sample during data acquisition is one of the simplest methods allowing the radiation damage to be limited. In addition to distributing the dose over many different scatterers, the method also enables new functionalities such as time-resolved studies. Here, we further develop a recently proposed experimental technique that combines XPCS and continuously flowing samples. More specifically, we use a model colloidal suspension to show how the macroscopic advective response to flow and the microscopic dissipative dynamics (diffusion) can be quantified from the x-ray data. Our results show very good quantitative agreement with a Poisseuille-flow hydrodynamical model combined with Brownian mechanics. The method has many potential applications, e.g. in the study of dynamics of glasses and gels under continuous shear/flow, protein aggregation processes and the interplay between dynamics and rheology in complex fluids.

  19. Interpreting canonical correlation analysis through biplots of stucture correlations and weights

    NARCIS (Netherlands)

    Braak, ter C.J.F.

    1990-01-01

    This paper extends the biplot technique to canonical correlation analysis and redundancy analysis. The plot of structure correlations is shown to the optimal for displaying the pairwise correlations between the variables of the one set and those of the second. The link between multivariate

  20. Platinum assay by neutron activation analysis and atomic absorption spectroscopy in cisplatin treated pregnant mice

    International Nuclear Information System (INIS)

    Esposito, M.; Collecchi, P.; Oddone, M.; Meloni, S.

    1986-01-01

    Cisplatin (CDDP) is an antineoplastic drug used in the treatment of a wide variety of tumors. This paper describes an investigation carried out on pregnant mice after intragastric or intraperitoneally treatment with CDDP from day 11 to 13 of gestation. Platinum content in different tissues, namely liver, kidney, placenta and brain, was determined at 18 day of pregnancy. Two analytical techniques were used, i.e. neutron activation analysis and atomic absorption spectroscopy. Results of both techniques are presented and discussed in terms of precision, accuracy and sensitivity. Neutron activation analysis appears to provide results better correlated with the drug treatment. (author)

  1. Platinum assay by neutron activation analysis and atomic absorption spectroscopy in cisplatin treated pregnant mice

    International Nuclear Information System (INIS)

    Esposito, M.; Collecchi, P.; Oddone, M.; Meloni, S.

    1987-01-01

    Cisplatin (CDDP) is an antineoplastic drug used in the treatment of a wide variety of tumors. This paper describes an investigation carried out on pregnant mice after intragastric or intraperitoneal treatment with CDDP from the 11st to 13rd day of gestation. Platinum content in different liver, kidney, placenta and brain tissues, was determined at 18. day of pregnancy. Neutron activation analysis and atomic absorption spectroscopy were used. Results of both techniques are presented and discussed in terms of precision, accuracy and sensitivity. Neutron activation analysis appears to provide better results correlated with the drug treatment. (author) 10 refs.; 4 tables

  2. A correlative study on data from pork carcass and processed meat (Bauernspeck) for automatic estimation of chemical parameters by means of near-infrared spectroscopy.

    Science.gov (United States)

    Boschetti, Lucio; Ottavian, Matteo; Facco, Pierantonio; Barolo, Massimiliano; Serva, Lorenzo; Balzan, Stefania; Novelli, Enrico

    2013-11-01

    The use of near-infrared spectroscopy (NIRS) is proposed in this study for the characterization of the quality parameters of a smoked and dry-cured meat product known as Bauernspeck (originally from Northern Italy), as well as of some technological traits of the pork carcass used for its manufacturing. In particular, NIRS is shown to successfully estimate several key quality parameters (including water activity, moisture, dry matter, ash and protein content), suggesting its suitability for real time application in replacement of expensive and time consuming chemical analysis. Furthermore, a correlative approach based on canonical correlation analysis was used to investigate the spectral regions that are mostly correlated to the characteristics of interest. The identification of these regions, which can be linked to the absorbance of the main functional chemical groups, is intended to provide a better understanding of the chemical structure of the substrate under investigation. Copyright © 2013 Elsevier Ltd. All rights reserved.

  3. Hypoxia-ischemic encephalopathy in full-term neonate: correlation proton MR spectroscopy with MR imaging

    International Nuclear Information System (INIS)

    Fan Guoguang; Wu Zhenhua; Chen Liying; Guo Qiyong; Ye Binbin; Mao Jian

    2003-01-01

    Introduction: To evaluate 1 H Magnetic Resonance Spectroscopy ( 1 HMRS) in the diagnosis of hypoxia-ischemic encephalopathy (HIE) of full-term neonates correlated with Magnetic Resonance Imaging (MRI). Materials and methods: Thirty-eight cases of full-term neonates diagnosed as HIE clinically were selected to perform MRI and 1 HMRS examination. The ages ranged from 7 to 17 days, with median age of 8.2 days. In which, 26 cases were followed up and/or MRI reexamined at 6 months of age or later. Eight healthy neonates, with no evidence of birth asphyxia, also underwent 1 HMRS for comparison. SE sequences were used for routine MR examination; point resolved spectroscopy sequence was required for 1 HMRS. The metabolites in the spectra includes: N-acetylaspartate (NAA), choline compounds (CHO), creatine compounds (CR), myo-inositol (MI), lactate (LAC), glutamate and glutamine (Glu-Gln). Results: The peaks of NAA were fall in two cases; the peaks of LAC, which were elevated, appeared as typical double-peaks appearance in 26 cases; the peaks of Glu-Gln, which were also elevated, appeared as zigzag appearance in nine cases. The peaks of CR were decreased in 11 cases, while those of MI were increased in seven cases. Mild type of lesions was present on MRI in 12 cases whose LAC/CR ratio lower than 0.5; mild and moderate types of lesions were present in 15 cases whose LAC/CR ratio between 0.5 and 1.5. Whereas, nine cases of severe lesions and two cases of moderate lesions were present on MRI in 11 cases whose LAC/CR ratio greater than 1.5. Twenty-six of 38 cases were followed up and/or MRI reexamined after 6 months, in which, sequelae were present in 12 cases. Among them, eight cases of sequelae in nine cases whose LAC/CR ratio greater than 1.5 were present (account for 88.89%). Conclusion: 1 HMRS plays an important role to diagnose and predict outcome of HIE

  4. Characterization by Fourier transform infrared spectroscopy (FT-IR) and 2D IR correlation spectroscopy of a carbosilane dendrimer with peripheral ammonium groups

    Energy Technology Data Exchange (ETDEWEB)

    Popescu, Maria-Cristina, E-mail: cpopescu@icmpp.ro [' Petru Poni' Institute of Macromolecular Chemistry (Romania); Gomez, Rafael; Mata, Fco Javier de la; Rasines, Beatriz [Universidad de Alcala, Departamento de Quimica Inorganica (Spain); Simionescu, Bogdan C. [' Petru Poni' Institute of Macromolecular Chemistry (Romania)

    2013-06-15

    Fourier transform infrared spectroscopy and 2D correlation spectroscopy were used to study the microstructural changes occurring on heating of a new carbosilane dendrimer with peripheral ammonium groups. Temperature-dependent spectral variations in the 3,010-2,710, 1,530-1,170, and 1,170-625 cm{sup -1} regions were monitored during the heating process. The dependence, on temperature, of integral absorptions and position of spectral bands was established and the spectral modifications associated with molecular conformation rearrangements, allowing molecular shape changes, were found. Before 180 Degree-Sign C, the studied carbosilane dendrimer proved to be stable, while at higher temperatures it oxidizes and Si-O groups appear. 2D IR correlation spectroscopy gives new information about the effect of temperature on the structure and dynamics of the system. Synchronous and asynchronous spectra indicate that, at low temperature, conformational changes of CH{sub 3} and CH{sub 3}-N{sup +} groups take place first. With increasing temperature, the intensity variation of the CH{sub 2}, C-N, Si-C and C-C groups from the dendritic core is faster than that of the terminal units. This indicates that, with increasing temperature, the segments of the dendritic core obtain enough energy to change their conformation more easily as compared to the terminal units, due to their internal flexibility.

  5. Characterization by Fourier transform infrared spectroscopy (FT-IR) and 2D IR correlation spectroscopy of a carbosilane dendrimer with peripheral ammonium groups

    International Nuclear Information System (INIS)

    Popescu, Maria-Cristina; Gómez, Rafael; Mata, Fco Javier de la; Rasines, Beatriz; Simionescu, Bogdan C.

    2013-01-01

    Fourier transform infrared spectroscopy and 2D correlation spectroscopy were used to study the microstructural changes occurring on heating of a new carbosilane dendrimer with peripheral ammonium groups. Temperature-dependent spectral variations in the 3,010–2,710, 1,530–1,170, and 1,170–625 cm −1 regions were monitored during the heating process. The dependence, on temperature, of integral absorptions and position of spectral bands was established and the spectral modifications associated with molecular conformation rearrangements, allowing molecular shape changes, were found. Before 180 °C, the studied carbosilane dendrimer proved to be stable, while at higher temperatures it oxidizes and Si–O groups appear. 2D IR correlation spectroscopy gives new information about the effect of temperature on the structure and dynamics of the system. Synchronous and asynchronous spectra indicate that, at low temperature, conformational changes of CH 3 and CH 3 –N + groups take place first. With increasing temperature, the intensity variation of the CH 2 , C–N, Si–C and C–C groups from the dendritic core is faster than that of the terminal units. This indicates that, with increasing temperature, the segments of the dendritic core obtain enough energy to change their conformation more easily as compared to the terminal units, due to their internal flexibility.

  6. The substrate matters in the Raman spectroscopy analysis of cells

    Science.gov (United States)

    Mikoliunaite, Lina; Rodriguez, Raul D.; Sheremet, Evgeniya; Kolchuzhin, Vladimir; Mehner, Jan; Ramanavicius, Arunas; Zahn, Dietrich R. T.

    2015-08-01

    Raman spectroscopy is a powerful analytical method that allows deposited and/or immobilized cells to be evaluated without complex sample preparation or labeling. However, a main limitation of Raman spectroscopy in cell analysis is the extremely weak Raman intensity that results in low signal to noise ratios. Therefore, it is important to seize any opportunity that increases the intensity of the Raman signal and to understand whether and how the signal enhancement changes with respect to the substrate used. Our experimental results show clear differences in the spectroscopic response from cells on different surfaces. This result is partly due to the difference in spatial distribution of electric field at the substrate/cell interface as shown by numerical simulations. We found that the substrate also changes the spatial location of maximum field enhancement around the cells. Moreover, beyond conventional flat surfaces, we introduce an efficient nanostructured silver substrate that largely enhances the Raman signal intensity from a single yeast cell. This work contributes to the field of vibrational spectroscopy analysis by providing a fresh look at the significance of the substrate for Raman investigations in cell research.

  7. Characterization of a Copper mineral from Rio Grande do Sul (RS, Brazil) by Moessbauer spectroscopy and chemical analysis

    International Nuclear Information System (INIS)

    Ribeiro, T.H.; Frank, E.; Bristoti, A.

    1980-01-01

    A sample from a copper-based mineral is analysed by Moessbauer spectroscopy. The results are compared with those form X-ray diffraction and microscopic analyses. A graphic correlation between the areas in the chalcopyrite spectra and the copper contents determined by chemical analysis is also made. (C.L.B.) [pt

  8. Characterization of a copper mineral from Rio Grande do Sul (RS, Brazil) by Moessbauer spectroscopy and chemical analysis

    Energy Technology Data Exchange (ETDEWEB)

    Ribeiro, T H [Rio Grande do Sul Univ., Porto Alegre (Brazil). Inst. de Quimica; Frank, E [Rio Grande do Sul Univ., Porto Alegre (Brazil). Inst. de Fisica; Bristoti, A [Rio Grande do Sul Univ., Porto Alegre (Brazil). Programa de Pos-graduacao de Engenharia Metalurgica e dos Materiais

    1980-01-01

    A sample from a copper-based mineral is analysed by Moessbauer spectroscopy. The results are compared with those from X-ray diffraction and microscopic analyses. A graphic correlation between the areas in the chalcopyrite spectra and the copper contents determined by chemical analysis is also made.

  9. Analysis of serum cortisol levels by Fourier Transform Infrared Spectroscopy for diagnosis of stress in athletes

    Directory of Open Access Journals (Sweden)

    Lia Campos Lemes

    Full Text Available Abstract Introduction Fourier-transform infrared (FT-IR spectroscopy is a technique with great potential for body fluids analyses. The aim of this study was to examine the impact of session training on cortisol concentrations in rugby players by means of infrared analysis of serum. Methods Blood collections were performed pre, post and 24 hours after of rugby training sessions. Serum cortisol was analyzed by FT-IR spectroscopy and chemiluminescent immunoassay. Results There was a significant difference between the integrated area, in the region of 1180-1102 cm-1, of the spectra for pre, post and post 24 h serums. The cortisol concentration obtained by chemiluminescent immunoassay showed no significant difference between pre, post and post 24 h. Positive correlations were obtained between the techniques (r = 0.75, post (r = 0.83 and post 24 h (r = 0.73. Conclusion The results showed no increase in cortisol levels of the players after the training sessions, as well as positive correlations indicating that FT-IR spectroscopy have produced promising results for the analysis of serum for diagnosis of stress.

  10. Spatio-temporal image correlation spectroscopy and super-resolution microscopy to quantify molecular dynamics in T cells.

    Science.gov (United States)

    Ashdown, George W; Owen, Dylan M

    2018-02-02

    Many cellular processes are regulated by the spatio-temporal organisation of signalling complexes, cytoskeletal components and membranes. One such example is at the T cell immunological synapse where the retrograde flow of cortical filamentous (F)-actin from the synapse periphery drives signalling protein microclusters towards the synapse centre. The density of this mesh however, makes visualisation and analysis of individual actin fibres difficult due to the resolution limit of conventional microscopy. Recently, super-resolution methods such as structured illumination microscopy (SIM) have surpassed this resolution limit. Here, we apply SIM to better visualise the dense cortical actin meshwork in T cell synapses formed against activating, antibody-coated surfaces and image under total-internal reflection fluorescence (TIRF) illumination. To analyse the observed molecular flows, and the relationship between them, we apply spatio-temporal image correlation spectroscopy (STICS) and its cross-correlation variant (STICCS). We show that the dynamic cortical actin mesh can be visualised with unprecedented detail and that STICS/STICCS can output accurate, quantitative maps of molecular flow velocity and directionality from such data. We find that the actin flow can be disrupted using small molecule inhibitors of actin polymerisation. This combination of imaging and quantitative analysis may provide an important new tool for researchers to investigate the molecular dynamics at cellular length scales. Here we demonstrate the retrograde flow of F-actin which may be important for the clustering and dynamics of key signalling proteins within the plasma membrane, a phenomenon which is vital to correct T cell activation and therefore the mounting of an effective immune response. Copyright © 2018. Published by Elsevier Inc.

  11. Micro spatial analysis of seashell surface using laser-induced breakdown spectroscopy and Raman spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Yuan; Li, Yuandong; Li, Ying [Optics and Optoelectronics Lab, Ocean University of China, Qingdao 266100 (China); Wang, Yangfan; Wang, Shi; Bao, Zhenmin [Life Science College, Ocean University of China, Qingdao 266003 (China); Zheng, Ronger, E-mail: rzheng@ouc.edu.cn [Optics and Optoelectronics Lab, Ocean University of China, Qingdao 266100 (China)

    2015-08-01

    The seashell has been studied as a proxy for the marine researches since it is the biomineralization product recording the growth development and the ocean ecosystem evolution. In this work a hybrid of Laser Induced Breakdown Spectroscopy (LIBS) and Raman spectroscopy was introduced to the composition analysis of seashell (scallop, bivalve, Zhikong). Without any sample treatment, the compositional distribution of the shell was obtained using LIBS for the element detection and Raman for the molecule recognition respectively. The elements Ca, K, Li, Mg, Mn and Sr were recognized by LIBS; the molecule carotene and carbonate were identified with Raman. It was found that the LIBS detection result was more related to the shell growth than the detection result of Raman. The obtained result suggested the shell growth might be developing in both horizontal and vertical directions. It was indicated that the LIBS–Raman combination could be an alternative way for the shell researches. - Highlights: • A LIBS–Raman hybrid system was developed. • A seashell has been analyzed for the elementary and molecular distribution with a system. • The shell growth development was studied on the surface and in the depth.

  12. A new methodology of spatial cross-correlation analysis.

    Science.gov (United States)

    Chen, Yanguang

    2015-01-01

    Spatial correlation modeling comprises both spatial autocorrelation and spatial cross-correlation processes. The spatial autocorrelation theory has been well-developed. It is necessary to advance the method of spatial cross-correlation analysis to supplement the autocorrelation analysis. This paper presents a set of models and analytical procedures for spatial cross-correlation analysis. By analogy with Moran's index newly expressed in a spatial quadratic form, a theoretical framework is derived for geographical cross-correlation modeling. First, two sets of spatial cross-correlation coefficients are defined, including a global spatial cross-correlation coefficient and local spatial cross-correlation coefficients. Second, a pair of scatterplots of spatial cross-correlation is proposed, and the plots can be used to visually reveal the causality behind spatial systems. Based on the global cross-correlation coefficient, Pearson's correlation coefficient can be decomposed into two parts: direct correlation (partial correlation) and indirect correlation (spatial cross-correlation). As an example, the methodology is applied to the relationships between China's urbanization and economic development to illustrate how to model spatial cross-correlation phenomena. This study is an introduction to developing the theory of spatial cross-correlation, and future geographical spatial analysis might benefit from these models and indexes.

  13. A New Methodology of Spatial Cross-Correlation Analysis

    Science.gov (United States)

    Chen, Yanguang

    2015-01-01

    Spatial correlation modeling comprises both spatial autocorrelation and spatial cross-correlation processes. The spatial autocorrelation theory has been well-developed. It is necessary to advance the method of spatial cross-correlation analysis to supplement the autocorrelation analysis. This paper presents a set of models and analytical procedures for spatial cross-correlation analysis. By analogy with Moran’s index newly expressed in a spatial quadratic form, a theoretical framework is derived for geographical cross-correlation modeling. First, two sets of spatial cross-correlation coefficients are defined, including a global spatial cross-correlation coefficient and local spatial cross-correlation coefficients. Second, a pair of scatterplots of spatial cross-correlation is proposed, and the plots can be used to visually reveal the causality behind spatial systems. Based on the global cross-correlation coefficient, Pearson’s correlation coefficient can be decomposed into two parts: direct correlation (partial correlation) and indirect correlation (spatial cross-correlation). As an example, the methodology is applied to the relationships between China’s urbanization and economic development to illustrate how to model spatial cross-correlation phenomena. This study is an introduction to developing the theory of spatial cross-correlation, and future geographical spatial analysis might benefit from these models and indexes. PMID:25993120

  14. Indirectly detected chemical shift correlation NMR spectroscopy in solids under fast magic angle spinning

    Energy Technology Data Exchange (ETDEWEB)

    Mao, Kanmi [Iowa State Univ., Ames, IA (United States)

    2011-01-01

    The development of fast magic angle spinning (MAS) opened up an opportunity for the indirect detection of insensitive low-γ nuclei (e.g., 13C and 15N) via the sensitive high-{gamma} nuclei (e.g., 1H and 19F) in solid-state NMR, with advanced sensitivity and resolution. In this thesis, new methodology utilizing fast MAS is presented, including through-bond indirectly detected heteronuclear correlation (HETCOR) spectroscopy, which is assisted by multiple RF pulse sequences for 1H-1H homonuclear decoupling. Also presented is a simple new strategy for optimization of 1H-1H homonuclear decoupling. As applications, various classes of materials, such as catalytic nanoscale materials, biomolecules, and organic complexes, are studied by combining indirect detection and other one-dimensional (1D) and two-dimensional (2D) NMR techniques. Indirectly detected through-bond HETCOR spectroscopy utilizing refocused INEPT (INEPTR) mixing was developed under fast MAS (Chapter 2). The time performance of this approach in 1H detected 2D 1H{l_brace}13C{r_brace} spectra was significantly improved, by a factor of almost 10, compared to the traditional 13C detected experiments, as demonstrated by measuring naturally abundant organic-inorganic mesoporous hybrid materials. The through-bond scheme was demonstrated as a new analytical tool, which provides complementary structural information in solid-state systems in addition to through-space correlation. To further benefit the sensitivity of the INEPT transfer in rigid solids, the combined rotation and multiple-pulse spectroscopy (CRAMPS) was implemented for homonuclear 1H decoupling under fast MAS (Chapter 3). Several decoupling schemes (PMLG5m$\\bar{x}$, PMLG5mm$\\bar{x}$x and SAM3) were analyzed to maximize the performance of through-bond transfer based

  15. Correlation effects in magnetic materials: An ab initio investigation on electronic structure and spectroscopy

    International Nuclear Information System (INIS)

    Minár, J.; Braun, J.; Ebert, H.

    2013-01-01

    Highlights: ► We compare spin-resolved ARPES data of ferromagnetic 3d transition metals to many-body LSDA + DMFT based spectroscopic calculations. ► We document LSDA + DMFT provides a detailed and reliable interpretation of the data. ► We demonstrate that local correlations are dominant in Ni, whereas non-local correlations are important in Fe and Co. ► We reproduce the 6 eV satellite structure in ferromagnetic Ni LDSDA + DMFT in combination with the one-step model of photoemission provides a more or less complete description of the electronic structure of Fe, Co and Ni. -- Abstract: Various technical developments enlarged the potential of angle-resolved photoemission spectroscopy (ARPES) tremendously during the last two decades. In particular improved momentum and energy resolution in combination with spin-resolution as well as the use of photon energies from few eV up to several keV makes ARPES a rather unique tool to investigate the electronic properties of solids and surfaces. Obviously, this rises the need for a corresponding theoretical formalism that allows to accompany experimental ARPES studies in an adequate way. As will be demonstrated by several examples this goal could be achieved by various recent developments on the basis of density functional theory (DFT) in combination with dynamical mean field theory (DMFT) and with the one-step model of photoemission (1SM). A concrete realization of electronic structure calculations in the framework of multiple scattering theory further more provides direct access to the spectral function of the initial states via the one-electron Green function. Based on this bare spectral function matrix-element and final-state effects as well as surface related features may be calculated in addition using the one-step formalism that offers the possibility to analyse corresponding angle-resolved photoemission experiments in a quantitative sense. The impact of chemical disorder can be handled by means of the coherent

  16. Verification of Ganoderma (lingzhi) commercial products by Fourier Transform infrared spectroscopy and two-dimensional IR correlation spectroscopy

    Science.gov (United States)

    Choong, Yew-Keong; Sun, Su-Qin; Zhou, Qun; Lan, Jin; Lee, Han-Lim; Chen, Xiang-Dong

    2014-07-01

    Ganoderma commercial products are typically based on two sources, raw material (powder form and/or spores) and extract (water and/or solvent). This study compared three types of Ganoderma commercial products using 1 Dimensional Fourier Transform infrared and second derivative spectroscopy. The analyzed spectra of Ganoderma raw material products were compared with spectra of cultivated Ganoderma raw material powder from different mushroom farms in Malaysia. The Ganoderma extract product was also compared with three types of cultivated Ganoderma extracts. Other medicinal Ganoderma contents in commercial extract product that included glucan and triterpenoid were analyzed by using FTIR and 2DIR. The results showed that water extract of cultivated Ganoderma possessed comparable spectra with that of Ganoderma product water extract. By comparing the content of Ganoderma commercial products using FTIR and 2DIR, product content profiles could be detected. In addition, the geographical origin of the Ganoderma products could be verified by comparing their spectra with Ganoderma products from known areas. This study demonstrated the possibility of developing verification tool to validate the purity of commercial medicinal herbal and mushroom products.

  17. Characterization of vacancy type defects in Electronic Materials by Positron Lifetime and Age-Momentum Correlation Spectroscopy

    Science.gov (United States)

    Suzuki, Ryoichi; Ohdaira, Toshiyuki

    2002-03-01

    Positron annihilation spectroscopy is known to be sensitive to vacancy type defects. At the National Institute of Advanced Industrial Science and Technology (AIST) Japan, the authors have developed a measurement system which enables us to perform depth-selective positron annihilation lifetime spectroscopy (PALS) and positron age-momentum correlation (AMOC) spectroscopy with an intense slow positron beam. PALS gives us information on the size of vacancies whereas AMOC gives us information on not only vacancy sizes but also impurities or chemical environments. Using this system, we have carried out defect characterization experiments on various electronic materials, e.g. ion implanted Si, SiO2/Si, MOS, CVD or SOD (spin-on-dielectric) grown low dielectric insulator films, etc.

  18. Correlation analysis of fracture arrangement in space

    Science.gov (United States)

    Marrett, Randall; Gale, Julia F. W.; Gómez, Leonel A.; Laubach, Stephen E.

    2018-03-01

    We present new techniques that overcome limitations of standard approaches to documenting spatial arrangement. The new techniques directly quantify spatial arrangement by normalizing to expected values for randomly arranged fractures. The techniques differ in terms of computational intensity, robustness of results, ability to detect anti-correlation, and use of fracture size data. Variation of spatial arrangement across a broad range of length scales facilitates distinguishing clustered and periodic arrangements-opposite forms of organization-from random arrangements. Moreover, self-organized arrangements can be distinguished from arrangements due to extrinsic organization. Traditional techniques for analysis of fracture spacing are hamstrung because they account neither for the sequence of fracture spacings nor for possible coordination between fracture size and position, attributes accounted for by our methods. All of the new techniques reveal fractal clustering in a test case of veins, or cement-filled opening-mode fractures, in Pennsylvanian Marble Falls Limestone. The observed arrangement is readily distinguishable from random and periodic arrangements. Comparison of results that account for fracture size with results that ignore fracture size demonstrates that spatial arrangement is dominated by the sequence of fracture spacings, rather than coordination of fracture size with position. Fracture size and position are not completely independent in this example, however, because large fractures are more clustered than small fractures. Both spatial and size organization of veins here probably emerged from fracture interaction during growth. The new approaches described here, along with freely available software to implement the techniques, can be applied with effect to a wide range of structures, or indeed many other phenomena such as drilling response, where spatial heterogeneity is an issue.

  19. Use of FT-NIR Spectroscopy for Bovine Colostrum Analysis

    Directory of Open Access Journals (Sweden)

    P. Navrátilová

    2006-01-01

    Full Text Available Fourier transformation near infrared spectroscopy (FT-NIR in combination with partial least squares (PLS method were used to determine the content of total solids, fat, non-fatty solids, lactose and proteins in bovine colostrum. Spectra of 90 samples were measured in the reflectance mode with a transflectance cuvette in the 10000-4000 cm-1 spectral ranges with 100 scans. Calibration was performed and statistical values of correlation coefficients (R and standard error of calibration values (SEC were computed for total solids (0.986 and 0.919, respectively, fat (0.997 and 0.285, respectively, non-fatty solids (0.995 and 0.451, respectively, lactose (0.934 and 0.285, respectively and protein (0.999 and 0.149, respectively. The calibration models developed were verified by cross validation. It follows from the study that FT-NIR spectroscopy can be used to determine the components of bovine colostrum.

  20. Cross-correlation of motor activity signals from dc-magnetoencephalography, near-infrared spectroscopy, and electromyography.

    Science.gov (United States)

    Sander, Tilmann H; Leistner, Stefanie; Wabnitz, Heidrun; Mackert, Bruno-Marcel; Macdonald, Rainer; Trahms, Lutz

    2010-01-01

    Neuronal and vascular responses due to finger movements were synchronously measured using dc-magnetoencephalography (dcMEG) and time-resolved near-infrared spectroscopy (trNIRS). The finger movements were monitored with electromyography (EMG). Cortical responses related to the finger movement sequence were extracted by independent component analysis from both the dcMEG and the trNIRS data. The temporal relations between EMG rate, dcMEG, and trNIRS responses were assessed pairwise using the cross-correlation function (CCF), which does not require epoch averaging. A positive lag on a scale of seconds was found for the maximum of the CCF between dcMEG and trNIRS. A zero lag is observed for the CCF between dcMEG and EMG. Additionally this CCF exhibits oscillations at the frequency of individual finger movements. These findings show that the dcMEG with a bandwidth up to 8 Hz records both slow and faster neuronal responses, whereas the vascular response is confirmed to change on a scale of seconds.

  1. Thermally emissive sensing materials for chemical spectroscopy analysis

    Science.gov (United States)

    Poole, Zsolt; Ohodnicki, Paul R.

    2018-05-08

    A sensor using thermally emissive materials for chemical spectroscopy analysis includes an emissive material, wherein the emissive material includes the thermally emissive materials which emit electromagnetic radiation, wherein the electromagnetic radiation is modified due to chemical composition in an environment; and a detector adapted to detect the electromagnetic radiation, wherein the electromagnetic radiation is indicative of the chemical interaction changes and hence chemical composition and/or chemical composition changes of the environment. The emissive material can be utilized with an optical fiber sensor, with the optical fiber sensor operating without the emissive material probed with a light source external to the material.

  2. Analysis of Baryon Angular Correlations with Pythia

    CERN Document Server

    Mccune, Amara

    2017-01-01

    Our current understanding of baryon production is encompassed in the framework of the Lund String Fragmentation Model, which is then encoded in the Monte Carlo event generator program Pythia. In proton-proton collisions, daughter particles of the same baryon number produce an anti-correlation in $\\Delta\\eta\\Delta\\varphi$ space in ALICE data, while Pythia programs predict a correlation. To understand this unusual effect, where it comes from, and where our models of baryon production go wrong, correlation functions were systematically generated with Pythia. Effects of energy scaling, color reconnection, and popcorn parameters were investigated.

  3. Single molecule force spectroscopy at high data acquisition: A Bayesian nonparametric analysis

    Science.gov (United States)

    Sgouralis, Ioannis; Whitmore, Miles; Lapidus, Lisa; Comstock, Matthew J.; Pressé, Steve

    2018-03-01

    Bayesian nonparametrics (BNPs) are poised to have a deep impact in the analysis of single molecule data as they provide posterior probabilities over entire models consistent with the supplied data, not just model parameters of one preferred model. Thus they provide an elegant and rigorous solution to the difficult problem encountered when selecting an appropriate candidate model. Nevertheless, BNPs' flexibility to learn models and their associated parameters from experimental data is a double-edged sword. Most importantly, BNPs are prone to increasing the complexity of the estimated models due to artifactual features present in time traces. Thus, because of experimental challenges unique to single molecule methods, naive application of available BNP tools is not possible. Here we consider traces with time correlations and, as a specific example, we deal with force spectroscopy traces collected at high acquisition rates. While high acquisition rates are required in order to capture dwells in short-lived molecular states, in this setup, a slow response of the optical trap instrumentation (i.e., trapped beads, ambient fluid, and tethering handles) distorts the molecular signals introducing time correlations into the data that may be misinterpreted as true states by naive BNPs. Our adaptation of BNP tools explicitly takes into consideration these response dynamics, in addition to drift and noise, and makes unsupervised time series analysis of correlated single molecule force spectroscopy measurements possible, even at acquisition rates similar to or below the trap's response times.

  4. A Nth-order linear algorithm for extracting diffuse correlation spectroscopy blood flow indices in heterogeneous tissues

    International Nuclear Information System (INIS)

    Shang, Yu; Yu, Guoqiang

    2014-01-01

    Conventional semi-infinite analytical solutions of correlation diffusion equation may lead to errors when calculating blood flow index (BFI) from diffuse correlation spectroscopy (DCS) measurements in tissues with irregular geometries. Very recently, we created an algorithm integrating a Nth-order linear model of autocorrelation function with the Monte Carlo simulation of photon migrations in homogenous tissues with arbitrary geometries for extraction of BFI (i.e., αD B ). The purpose of this study is to extend the capability of the Nth-order linear algorithm for extracting BFI in heterogeneous tissues with arbitrary geometries. The previous linear algorithm was modified to extract BFIs in different types of tissues simultaneously through utilizing DCS data at multiple source-detector separations. We compared the proposed linear algorithm with the semi-infinite homogenous solution in a computer model of adult head with heterogeneous tissue layers of scalp, skull, cerebrospinal fluid, and brain. To test the capability of the linear algorithm for extracting relative changes of cerebral blood flow (rCBF) in deep brain, we assigned ten levels of αD B in the brain layer with a step decrement of 10% while maintaining αD B values constant in other layers. Simulation results demonstrate the accuracy (errors < 3%) of high-order (N ≥ 5) linear algorithm in extracting BFIs in different tissue layers and rCBF in deep brain. By contrast, the semi-infinite homogenous solution resulted in substantial errors in rCBF (34.5% ≤ errors ≤ 60.2%) and BFIs in different layers. The Nth-order linear model simplifies data analysis, thus allowing for online data processing and displaying. Future study will test this linear algorithm in heterogeneous tissues with different levels of blood flow variations and noises.

  5. A Nth-order linear algorithm for extracting diffuse correlation spectroscopy blood flow indices in heterogeneous tissues

    Energy Technology Data Exchange (ETDEWEB)

    Shang, Yu; Yu, Guoqiang, E-mail: guoqiang.yu@uky.edu [Department of Biomedical Engineering, University of Kentucky, Lexington, Kentucky 40506 (United States)

    2014-09-29

    Conventional semi-infinite analytical solutions of correlation diffusion equation may lead to errors when calculating blood flow index (BFI) from diffuse correlation spectroscopy (DCS) measurements in tissues with irregular geometries. Very recently, we created an algorithm integrating a Nth-order linear model of autocorrelation function with the Monte Carlo simulation of photon migrations in homogenous tissues with arbitrary geometries for extraction of BFI (i.e., αD{sub B}). The purpose of this study is to extend the capability of the Nth-order linear algorithm for extracting BFI in heterogeneous tissues with arbitrary geometries. The previous linear algorithm was modified to extract BFIs in different types of tissues simultaneously through utilizing DCS data at multiple source-detector separations. We compared the proposed linear algorithm with the semi-infinite homogenous solution in a computer model of adult head with heterogeneous tissue layers of scalp, skull, cerebrospinal fluid, and brain. To test the capability of the linear algorithm for extracting relative changes of cerebral blood flow (rCBF) in deep brain, we assigned ten levels of αD{sub B} in the brain layer with a step decrement of 10% while maintaining αD{sub B} values constant in other layers. Simulation results demonstrate the accuracy (errors < 3%) of high-order (N ≥ 5) linear algorithm in extracting BFIs in different tissue layers and rCBF in deep brain. By contrast, the semi-infinite homogenous solution resulted in substantial errors in rCBF (34.5% ≤ errors ≤ 60.2%) and BFIs in different layers. The Nth-order linear model simplifies data analysis, thus allowing for online data processing and displaying. Future study will test this linear algorithm in heterogeneous tissues with different levels of blood flow variations and noises.

  6. Diffusion-weighted imaging and magnetic resonance spectroscopy of sporadic Creutzfeldt-Jakob disease: correlation with clinical course

    International Nuclear Information System (INIS)

    Kim, Jae Hyoung; Choi, Byung Se; Jung, Cheolkyu; Chang, YoungHee; Kim, SangYun

    2011-01-01

    Sporadic Creutzfeldt-Jakob disease (sCJD) is a fatal disease with variable clinical courses. The presence or absence of basal ganglia (BG) involvement has been reported to be associated with clinical course. We investigated the association of clinical course of sCJD with diffusion-weighted imaging (DWI) and MR spectroscopy (MRS) as well as BG involvement at early stage. DWI and single voxel proton MRS were performed in 14 patients with sCJD during the initial diagnostic workup. Apparent diffusion coefficient (ADC) and metabolites were measured in medial occipitoparietal cortices where large hyperintense DWI lesions were found in all patients. The presence or absence of BG involvement, ADC, N-acetylaspartate (NAA)/creatine (Cr) ratios, and choline (Cho)/Cr ratios were correlated with disease duration (i.e., the time from the symptom onset to death). The disease duration ranged from 2 to 31 months (median, 16). Hyperintense DWI lesions were observed bilaterally in both cortices and basal ganglia in eight patients and in cortices alone in six patients. Patients with BG involvement had shorter disease duration (median, 6.8 versus 20.5; p = 0.039) than those without and lower NAA/Cr ratios (median, 1.41 versus 2.03; p = 0.001). ADC and Cho/Cr ratios were not significantly different between the patients with BG involvement and those without. By multiple regression analysis, NAA/Cr ratios had the greatest correlation with the disease duration (p = 0.029). The disease duration of sCJD was variable. NAA/Cr ratios of the affected brain at the early stage of sCJD can be used as a useful parameter in predicting the clinical course. (orig.)

  7. A flexible fluorescence correlation spectroscopy based method for quantification of the DNA double labeling efficiency with precision control

    International Nuclear Information System (INIS)

    Hou, Sen; Tabaka, Marcin; Sun, Lili; Trochimczyk, Piotr; Kaminski, Tomasz S; Kalwarczyk, Tomasz; Zhang, Xuzhu; Holyst, Robert

    2014-01-01

    We developed a laser-based method to quantify the double labeling efficiency of double-stranded DNA (dsDNA) in a fluorescent dsDNA pool with fluorescence correlation spectroscopy (FCS). Though, for quantitative biochemistry, accurate measurement of this parameter is of critical importance, before our work it was almost impossible to quantify what percentage of DNA is doubly labeled with the same dye. The dsDNA is produced by annealing complementary single-stranded DNA (ssDNA) labeled with the same dye at 5′ end. Due to imperfect ssDNA labeling, the resulting dsDNA is a mixture of doubly labeled dsDNA, singly labeled dsDNA and unlabeled dsDNA. Our method allows the percentage of doubly labeled dsDNA in the total fluorescent dsDNA pool to be measured. In this method, we excite the imperfectly labeled dsDNA sample in a focal volume of <1 fL with a laser beam and correlate the fluctuations of the fluorescence signal to get the FCS autocorrelation curves; we express the amplitudes of the autocorrelation function as a function of the DNA labeling efficiency; we perform a comparative analysis of a dsDNA sample and a reference dsDNA sample, which is prepared by increasing the total dsDNA concentration c (c > 1) times by adding unlabeled ssDNA during the annealing process. The method is flexible in that it allows for the selection of the reference sample and the c value can be adjusted as needed for a specific study. We express the precision of the method as a function of the ssDNA labeling efficiency or the dsDNA double labeling efficiency. The measurement precision can be controlled by changing the c value. (letter)

  8. Diffusion-weighted imaging and magnetic resonance spectroscopy of sporadic Creutzfeldt-Jakob disease: correlation with clinical course

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jae Hyoung; Choi, Byung Se; Jung, Cheolkyu [Seoul National University Bundang Hospital, Department of Radiology, Seoul National University College of Medicine, Seongnam-si (Korea, Republic of); Chang, YoungHee; Kim, SangYun [Seoul National University Bundang Hospital, Department of Neurology, Seoul National University College of Medicine, Seongnam-si (Korea, Republic of)

    2011-12-15

    Sporadic Creutzfeldt-Jakob disease (sCJD) is a fatal disease with variable clinical courses. The presence or absence of basal ganglia (BG) involvement has been reported to be associated with clinical course. We investigated the association of clinical course of sCJD with diffusion-weighted imaging (DWI) and MR spectroscopy (MRS) as well as BG involvement at early stage. DWI and single voxel proton MRS were performed in 14 patients with sCJD during the initial diagnostic workup. Apparent diffusion coefficient (ADC) and metabolites were measured in medial occipitoparietal cortices where large hyperintense DWI lesions were found in all patients. The presence or absence of BG involvement, ADC, N-acetylaspartate (NAA)/creatine (Cr) ratios, and choline (Cho)/Cr ratios were correlated with disease duration (i.e., the time from the symptom onset to death). The disease duration ranged from 2 to 31 months (median, 16). Hyperintense DWI lesions were observed bilaterally in both cortices and basal ganglia in eight patients and in cortices alone in six patients. Patients with BG involvement had shorter disease duration (median, 6.8 versus 20.5; p = 0.039) than those without and lower NAA/Cr ratios (median, 1.41 versus 2.03; p = 0.001). ADC and Cho/Cr ratios were not significantly different between the patients with BG involvement and those without. By multiple regression analysis, NAA/Cr ratios had the greatest correlation with the disease duration (p = 0.029). The disease duration of sCJD was variable. NAA/Cr ratios of the affected brain at the early stage of sCJD can be used as a useful parameter in predicting the clinical course. (orig.)

  9. Cu(2) dynamical correlations in YBa2Cu3Ox studied by Moessbauer spectroscopy on substituted 170Yb3+

    International Nuclear Information System (INIS)

    Hodges, J.A.; Bonville, P.; Imbert, P.; Jehanno, G.

    1990-01-01

    Using Moessbauer spectroscopy, we follow the thermal dependence of the fluctuation rate of the Cu(2) internal (molecular) field acting on a 170 Yb 3+ probe diluted at the Y 3+ sites. We use the fluctuations of this field to track the collective fluctuations of the nearest neighbour correlated Cu(2) moments. Results are presented for oxygen levels x = 6.0 and 6.35 and for T ≤ 80K

  10. Slow Aging Dynamics and Avalanches in a Gold-Cadmium Alloy Investigated by X-Ray Photon Correlation Spectroscopy

    International Nuclear Information System (INIS)

    Mueller, L.; Waldorf, M.; Klemradt, U.; Gutt, C.; Gruebel, G.; Madsen, A.; Finlayson, T. R.

    2011-01-01

    Results of a x-ray photon correlation spectroscopy experiment on the very weakly first order martensitic transformation of a Au 50.5 Cd 49.5 single crystal are presented. Slow non-equilibrium-dynamics are observed in a narrow temperature interval in the direct vicinity of the otherwise athermal phase transformation. These dynamics are associated with the martensite-aging effect. The dynamical aging is accompanied by an avalanchelike behavior which is identified with an incubation-time phenomenon.

  11. Slow aging dynamics and avalanches in a gold-cadmium alloy investigated by x-ray photon correlation spectroscopy.

    Science.gov (United States)

    Müller, L; Waldorf, M; Gutt, C; Grübel, G; Madsen, A; Finlayson, T R; Klemradt, U

    2011-09-02

    Results of a x-ray photon correlation spectroscopy experiment on the very weakly first order martensitic transformation of a Au50.5Cd49.5 single crystal are presented. Slow non-equilibrium-dynamics are observed in a narrow temperature interval in the direct vicinity of the otherwise athermal phase transformation. These dynamics are associated with the martensite-aging effect. The dynamical aging is accompanied by an avalanchelike behavior which is identified with an incubation-time phenomenon.

  12. Cerebral oxygenation as measured by near-infrared spectroscopy in neonatal intensive care: correlation with arterial oxygenation.

    Science.gov (United States)

    Hunter, Carol Lu; Oei, Ju Lee; Lui, Kei; Schindler, Timothy

    2017-07-01

    To assess correlation between cerebral oxygenation (rScO 2 ), as measured by near-infrared spectroscopy (NIRS), and arterial oxygenation (PaO 2 ), as measured by arterial blood gases, in preterm neonates. Preterm neonates interpretation of NIRS values in neonatal intensive care, and further evaluation is needed to determine the applicability of NIRS to management of preterm infants. ©2017 Foundation Acta Paediatrica. Published by John Wiley & Sons Ltd.

  13. Quantitative analysis of bayberry juice acidity based on visible and near-infrared spectroscopy

    International Nuclear Information System (INIS)

    Shao Yongni; He Yong; Mao Jingyuan

    2007-01-01

    Visible and near-infrared (Vis/NIR) reflectance spectroscopy has been investigated for its ability to nondestructively detect acidity in bayberry juice. What we believe to be a new, better mathematic model is put forward, which we have named principal component analysis-stepwise regression analysis-backpropagation neural network (PCA-SRA-BPNN), to build a correlation between the spectral reflectivity data and the acidity of bayberry juice. In this model, the optimum network parameters,such as the number of input nodes, hidden nodes, learning rate, and momentum, are chosen by the value of root-mean-square (rms) error. The results show that its prediction statistical parameters are correlation coefficient (r) of 0.9451 and root-mean-square error of prediction(RMSEP) of 0.1168. Partial least-squares (PLS) regression is also established to compare with this model. Before doing this, the influences of various spectral pretreatments (standard normal variate, multiplicative scatter correction, S. Golay first derivative, and wavelet package transform) are compared. The PLS approach with wavelet package transform preprocessing spectra is found to provide the best results, and its prediction statistical parameters are correlation coefficient (r) of 0.9061 and RMSEP of 0.1564. Hence, these two models are both desirable to analyze the data from Vis/NIR spectroscopy and to solve the problem of the acidity prediction of bayberry juice. This supplies basal research to ultimately realize the online measurements of the juice's internal quality through this Vis/NIR spectroscopy technique

  14. Statistical analysis of angular correlation measurements

    International Nuclear Information System (INIS)

    Oliveira, R.A.A.M. de.

    1986-01-01

    Obtaining the multipole mixing ratio, δ, of γ transitions in angular correlation measurements is a statistical problem characterized by the small number of angles in which the observation is made and by the limited statistic of counting, α. The inexistence of a sufficient statistics for the estimator of δ, is shown. Three different estimators for δ were constructed and their properties of consistency, bias and efficiency were tested. Tests were also performed in experimental results obtained in γ-γ directional correlation measurements. (Author) [pt

  15. Surface analysis in steel nitrides by using Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Figueiredo, R.S. de.

    1991-07-01

    The formation of iron nitride layer at low temperatures, 600-700 K, by Moessbauer spectroscopy is studied. These layers were obtained basically through two different processes: ion nitriding and ammonia gas nitriding. A preliminary study about post-discharge nitriding was made using discharge in hollow cathode as well as microwave excitation. The assembly of these chambers is also described. The analysis of the nitrided samples was done by CEMS and CXMS, aided by optical microscopy, and the CEMS and CXMS detectors were constructed by ourselves. We also made a brief study about these detectors, testing as acetone as the mixture 80% He+10% C H 4 as detection gases for the use of CEMS. The surface analysis of the samples showed that in the ammonia gas process nitriding the nitrided layer starts by the superficial formation of an iron nitride rich nitrogen. By thermal evolution this nitride promotes the diffusion of nitrogen and the formation of other more stable nitrides. (author)

  16. Uncertainty analysis with statistically correlated failure data

    International Nuclear Information System (INIS)

    Modarres, M.; Dezfuli, H.; Roush, M.L.

    1987-01-01

    Likelihood of occurrence of the top event of a fault tree or sequences of an event tree is estimated from the failure probability of components that constitute the events of the fault/event tree. Component failure probabilities are subject to statistical uncertainties. In addition, there are cases where the failure data are statistically correlated. At present most fault tree calculations are based on uncorrelated component failure data. This chapter describes a methodology for assessing the probability intervals for the top event failure probability of fault trees or frequency of occurrence of event tree sequences when event failure data are statistically correlated. To estimate mean and variance of the top event, a second-order system moment method is presented through Taylor series expansion, which provides an alternative to the normally used Monte Carlo method. For cases where component failure probabilities are statistically correlated, the Taylor expansion terms are treated properly. Moment matching technique is used to obtain the probability distribution function of the top event through fitting the Johnson Ssub(B) distribution. The computer program, CORRELATE, was developed to perform the calculations necessary for the implementation of the method developed. (author)

  17. A hybrid correlation analysis with application to imaging genetics

    Science.gov (United States)

    Hu, Wenxing; Fang, Jian; Calhoun, Vince D.; Wang, Yu-Ping

    2018-03-01

    Investigating the association between brain regions and genes continues to be a challenging topic in imaging genetics. Current brain region of interest (ROI)-gene association studies normally reduce data dimension by averaging the value of voxels in each ROI. This averaging may lead to a loss of information due to the existence of functional sub-regions. Pearson correlation is widely used for association analysis. However, it only detects linear correlation whereas nonlinear correlation may exist among ROIs. In this work, we introduced distance correlation to ROI-gene association analysis, which can detect both linear and nonlinear correlations and overcome the limitation of averaging operations by taking advantage of the information at each voxel. Nevertheless, distance correlation usually has a much lower value than Pearson correlation. To address this problem, we proposed a hybrid correlation analysis approach, by applying canonical correlation analysis (CCA) to the distance covariance matrix instead of directly computing distance correlation. Incorporating CCA into distance correlation approach may be more suitable for complex disease study because it can detect highly associated pairs of ROI and gene groups, and may improve the distance correlation level and statistical power. In addition, we developed a novel nonlinear CCA, called distance kernel CCA, which seeks the optimal combination of features with the most significant dependence. This approach was applied to imaging genetic data from the Philadelphia Neurodevelopmental Cohort (PNC). Experiments showed that our hybrid approach produced more consistent results than conventional CCA across resampling and both the correlation and statistical significance were increased compared to distance correlation analysis. Further gene enrichment analysis and region of interest (ROI) analysis confirmed the associations of the identified genes with brain ROIs. Therefore, our approach provides a powerful tool for finding

  18. Evaluation of invasiveness of astrocytoma using 1H-magnetic resonance spectroscopy: correlation with expression of matrix metalloproteinase-2

    International Nuclear Information System (INIS)

    Zhang, Kai; Li, Chuanfu; Ma, Xiangxing; Meng, Xiangshui; Feng, Dechao; Liu, Ying; Li, Li

    2007-01-01

    Even low-grade astrocytomas infiltrate the entire brain, a feature that precludes their successful therapy. So to assess the invasive potential of astrocytoma is very important. The aim of this study was determine whether there is a significant correlation between the results of 1 H-magnetic resonance spectroscopy ( 1 H-MRS) and tumor invasive potential of astrocytoma, which is reflected by expression of matrix metalloproteinase-2 (MMP-2). The 1 H-MRS spectra of 41 histologically verified astrocytomas were obtained on a 3-T MR scanner. According to the World Health Organization classification criteria for central nervous system tumors, there were 16 low-grade astrocytomas (2 pilocytic astrocytomas, 14 grade II astrocytomas) and 25 high-grade astrocytomas (5 anaplastic astrocytomas, 20 glioblastomas).The choline/N-acetylaspartate (Cho/NAA) and choline/creatine (Cho/Cr) ratios were calculated. Of the 41 astrocytomas, 19 (8 low-grade and 11 high-grade) were analyzed immunohistochemically. Expression of MMP-2 was determined using streptavidin-peroxidase complex (SP) staining which was quantified by calculating its calibrated opacity density (COD) using an image analysis system. The correlations between metabolite ratios and the quantitative data from the immunohistochemical tests in the 19 astrocytomas were determined. The Cho/NAA and Cho/Cr ratios of high-grade astrocytoma were both significantly greater than those of low-grade astrocytoma (t = -6.222, P = 0.000; t = -6.533, P = 0.000, respectively). MMP-2 COD values of high-grade astrocytomas were also significantly greater than those of low-grade astrocytomas (t = -5.892, P 0.000). There were strong positive correlations between Cho/NAA ratio and MMP-2 COD (r = 0.669, P = 0.002), and between Cho/Cr ratio and MMP-2 COD (r = 0.689, P = 0.001). 1 H-MRS is helpful in evaluating the invasiveness of astrocytomas and predicting prognosis preoperatively by determining the Cho/NAA and Cho/Cr ratios. (orig.)

  19. Analysis algorithm for digital data used in nuclear spectroscopy

    CERN Document Server

    AUTHOR|(CDS)2085950; Sin, Mihaela

    Data obtained from digital acquisition systems used in nuclear spectroscopy experiments must be converted by a dedicated algorithm in or- der to extract the physical quantities of interest. I will report here the de- velopment of an algorithm capable to read digital data, discriminate between random and true signals and convert the results into a format readable by a special data analysis program package used to interpret nuclear spectra and to create coincident matrices. The algorithm can be used in any nuclear spectroscopy experimental setup provided that digital acquisition modules are involved. In particular it was used to treat data obtained from the IS441 experiment at ISOLDE where the beta decay of 80Zn was investigated as part of ultra-fast timing studies of neutron rich Zn nuclei. The results obtained for the half-lives of 80Zn and 80Ga were in very good agreement with previous measurements. This fact proved unquestionably that the conversion algorithm works. Another remarkable result was the improve...

  20. Two-dimensional correlation spectroscopy reveals the underlying compositions for FT-NIR identification of the medicinal bulbs of the genus Fritillaria

    Science.gov (United States)

    Chen, Jianbo; Wang, Yue; Liu, Aoxue; Rong, Lixin; Wang, Jingjuan

    2018-03-01

    Fritillariae Bulbus, the dried bulbs of several species of the genus Fritillaria, is often used in traditional Chinese medicine for the treatment of cough and pulmonary diseases. However, the similar appearances make it difficult to identify different kinds of Fritillariae Bulbus. In this research, Fourier transform near-infrared (FT-NIR) spectroscopy with a reflection fiber probe is employed for the direct testing and automatic identification of different kinds of Fritillariae Bulbus to ensure the authenticity, efficacy and safety. The bulbs can be measured directly without pulverizing. According to the two-dimensional (2D) correlation analysis and statistical analysis, the height ratio of the two peaks near 4860 cm-1 and 4750 cm-1 in the second derivative spectra is specific to the species of Fritillariae Bulbus. This indicates that the relative amount of protein and carbohydrate may be critical to identify Fritillariae Bulbus. With the help of the SIMCA model, the four kinds of Fritillariae Bulbus can be identified correctly by FT-NIR spectroscopy. The results show the potential of FT-NIR spectroscopy with a reflection fiber probe in the rapid testing and identification of Fritillariae Bulbus.

  1. Portable Infrared Laser Spectroscopy for On-site Mycotoxin Analysis

    Science.gov (United States)

    Sieger, Markus; Kos, Gregor; Sulyok, Michael; Godejohann, Matthias; Krska, Rudolf; Mizaikoff, Boris

    2017-03-01

    Mycotoxins are toxic secondary metabolites of fungi that spoil food, and severely impact human health (e.g., causing cancer). Therefore, the rapid determination of mycotoxin contamination including deoxynivalenol and aflatoxin B1 in food and feed samples is of prime interest for commodity importers and processors. While chromatography-based techniques are well established in laboratory environments, only very few (i.e., mostly immunochemical) techniques exist enabling direct on-site analysis for traders and manufacturers. In this study, we present MYCOSPEC - an innovative approach for spectroscopic mycotoxin contamination analysis at EU regulatory limits for the first time utilizing mid-infrared tunable quantum cascade laser (QCL) spectroscopy. This analysis technique facilitates on-site mycotoxin analysis by combining QCL technology with GaAs/AlGaAs thin-film waveguides. Multivariate data mining strategies (i.e., principal component analysis) enabled the classification of deoxynivalenol-contaminated maize and wheat samples, and of aflatoxin B1 affected peanuts at EU regulatory limits of 1250 μg kg-1 and 8 μg kg-1, respectively.

  2. Human Milk Analysis Using Mid-Infrared Spectroscopy.

    Science.gov (United States)

    Groh-Wargo, Sharon; Valentic, Jennifer; Khaira, Sharmeel; Super, Dennis M; Collin, Marc

    2016-04-01

    The composition of human milk is known to vary with length of gestation, stage of lactation, and other factors. Human milk contains all nutrients required for infant health but requires fortification to meet the needs of low-birth-weight infants. Without a known nutrient profile of the mother's milk or donor milk fed to a baby, the composition of the fortified product is only an estimate. Human milk analysis has the potential to improve the nutrition care of high-risk newborns by increasing the information about human milk composition. Equipment to analyze human milk is available, and the technology is rapidly evolving. This pilot study compares mid-infrared (MIR) spectroscopy to reference laboratory milk analysis. After obtaining informed consent, we collected human milk samples from mothers of infants weighing milk obtained by MIR vs reference laboratory analysis. MIR analysis appears to provide an accurate assessment of macronutrient content in expressed human milk from mothers of preterm infants. The small sample size of this study limits confidence in the results. Measurement of lactose is confounded by the presence of oligosaccharides. Human milk analysis is a potentially useful tool for establishing an individualized fortification plan. © 2015 American Society for Parenteral and Enteral Nutrition.

  3. Two-trace two-dimensional (2T2D) correlation spectroscopy - A method for extracting useful information from a pair of spectra

    Science.gov (United States)

    Noda, Isao

    2018-05-01

    Two-trace two-dimensional (2T2D) correlation spectroscopy, where a pair of spectra are compared as 2D maps by a form of cross correlation analysis, is introduced. In 2T2D, spectral intensity changes of bands arising from the same origin, which cannot change independently of each other, are synchronized. Meanwhile, those arising from different sources may and often do change asynchronously. By taking advantage of this property, one can distinguish and classify a number of contributing bands present in the original pair of spectra in a systematic manner. Highly overlapped neighboring bands originating from different sources can also be identified by the presence of asynchronous cross peaks, thus enhancing the apparent spectral resolution. Computational procedure to obtain 2T2D correlation spectra and their interpretation method, as well as an illustrative description of the basic concept in the vector phase space, are provided. 2T2D spectra may also be viewed as individual building blocks of the generalized 2D correlation spectra derived from a series of more than two spectral data. Some promising application potentials of 2T2D correlation and integration with established advanced 2D correlation techniques are discussed.

  4. Fluorescence spectral correlation spectroscopy (FSCS) for probes with highly overlapping emission spectra

    Czech Academy of Sciences Publication Activity Database

    Benda, A.; Kapusta, Peter; Hof, Martin; Gaus, K.

    2014-01-01

    Roč. 22, č. 3 (2014), s. 2973-2988 ISSN 1094-4087 R&D Projects: GA AV ČR KJB400400904; GA ČR GBP208/12/G016 Institutional support: RVO:61388955 Keywords : spectroscopy * fluorescence and luminiscence * confocal microscopy Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.488, year: 2014

  5. Multifractal detrended cross-correlation analysis in the MENA area

    Science.gov (United States)

    El Alaoui, Marwane; Benbachir, Saâd

    2013-12-01

    In this paper, we investigated multifractal cross-correlations qualitatively and quantitatively using a cross-correlation test and the Multifractal detrended cross-correlation analysis method (MF-DCCA) for markets in the MENA area. We used cross-correlation coefficients to measure the level of this correlation. The analysis concerns four stock market indices of Morocco, Tunisia, Egypt and Jordan. The countries chosen are signatory of the Agadir agreement concerning the establishment of a free trade area comprising Arab Mediterranean countries. We computed the bivariate generalized Hurst exponent, Rényi exponent and spectrum of singularity for each pair of indices to measure quantitatively the cross-correlations. By analyzing the results, we found the existence of multifractal cross-correlations between all of these markets. We compared the spectrum width of these indices; we also found which pair of indices has a strong multifractal cross-correlation.

  6. Uranium concentrate analysis by X-ray fluorescence spectroscopy

    International Nuclear Information System (INIS)

    Diaz-Guerra, J.P.; Bayon, A.; Roca, R.

    1978-01-01

    The determination of As, Ca, Fe, Mo, P, S, Si. Th, V and U in uranium concentrates by X-ray fluorescence spectroscopy has been studied. As and U are determined in nitric solutions and for the rest of elements analysis is performed by a bead fusion technique using Li 2 B 4 O 7 and Li 2 CO 3 as fluxes. Although the uranium matrix minimizes the absorption and enhancement effects, because of the content variations of this element it is advisable to operate at a constant level of U 3 O 8 . Despite the high matrix absorption and the large dilution of the samples, sensitivity and speed are found to be satisfactory as the result of the use of a high sensitivity automatic spectrometer. The spectral interferences of Mo on S and P, and of Pb on As have been particularly considered. (author) [es

  7. Photon correlation spectroscopy of classical and non-classical light fields and its debt to Glauber and Harvard

    International Nuclear Information System (INIS)

    Pike, E.R.

    1985-01-01

    The Union Gikon Company of Japan has designed their new photon-correlation spectrometer to the outside world with the aid of a number of Japanese Universities and Industrial Research Laboratories. It comes with a list of some two dozen Japanese Institutions who have been using it successfully since its recent launch in their home country. The cost of the system is some $60,000 and it will no doubt, find its place in the market alongside existing well-known photon correlation systems such as those from Brookhaven Instruments Corporation, Hiac Royco, Coulter and Malvern Instruments. Although they may be used for other purposes, the main application of the instruments is the measurement of sizes of submicron particles such as proteins, enzymes, viruses, polymers and numerous other macro-molecular substances. A topical proposal, for example, is the detection of the immunological reactions of the AIDS virus. Photon correlation spectroscopy has become an important technique in modern laboratory practice

  8. Thematic mapper studies band correlation analysis

    Science.gov (United States)

    Ungar, S. G.; Kiang, R.

    1976-01-01

    Spectral data representative of thematic mapper candidate bands 1 and 3 to 7 were obtained by selecting appropriate combinations of bands from the JSC 24 channel multispectral scanner. Of all the bands assigned, only candidate bands 4 (.74 mu to .80 mu) and 5 (.80 mu to .91 mu) showed consistently high intercorrelation from region to region and time to time. This extremely high correlation persisted when looking at the composite data set in a multitemporal, multilocation domain. The GISS investigations lend positive confirmation to the hypothesis, that TM bands 4 and 5 are redundant.

  9. Correlated single-crystal electronic absorption spectroscopy and X-ray crystallography at NSLS beamline X26-C

    International Nuclear Information System (INIS)

    Orville, A.M.; Buono, R.; Cowan, M.; Heroux, A.; Shea-McCarthy, G.; Schneider, D.K.; Skinner, J.M.; Skinner, M.J.; Stoner-Ma, D.; Sweet, R.M.

    2011-01-01

    The research philosophy and new capabilities installed at NSLS beamline X26-C to support electronic absorption and Raman spectroscopies coupled with X-ray diffraction are reviewed. This beamline is dedicated full time to multidisciplinary studies with goals that include revealing the relationship between the electronic and atomic structures in macromolecules. The beamline instrumentation has been fully integrated such that optical absorption spectra and X-ray diffraction images are interlaced. Therefore, optical changes induced by X-ray exposure can be correlated with X-ray diffraction data collection. The installation of Raman spectroscopy into the beamline is also briefly reviewed. Data are now routinely generated almost simultaneously from three complementary types of experiments from the same sample. The beamline is available now to the NSLS general user population.

  10. Isotope analysis by emission spectroscopy; Analyse isotopique par spectroscopie d'emission

    Energy Technology Data Exchange (ETDEWEB)

    Artaud, J; Gerstenkorn, S [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires; Blaise, J [Centre National de la Recherche Scientifique (CNRS), Lab. Aime Cotton, 92 - Meudon-Bellevue (France)

    1959-07-01

    Quantitative analysis of isotope mixtures by emission spectroscopy is resulting from the phenomenon called 'isotope shift', say from the fact that spectral lines produced by a mixture of isotopes of a same element are complex. Every spectral line is, indeed, resulting from several lines respectively corresponding to each isotope. Then isotopic components are near one to others, and their separation is effected by means of Fabry-Perot calibration standard: the apparatus allowing to measure abundances is the Fabry-Perot photo-electric spectrometer, designed in 1948 by MM. JACQUINOT and DUFOUR. This method has been used to make abundance determination in the case of helium, lithium, lead and uranium. In the case of lithium, the utilised analysis line depends on the composition of examined isotopic mixture. For mixtures containing 7 to 93 pour cent of one of isotopes of lithium, this line is the lithium blue line: {lambda} = 4603 angstrom. In other cases the red line {lambda} = 6707 angstrom is preferable, though it allows to do easily nothing but relative determinations. Helium shows no particular difficulty and the analysis line selected was {lambda} = 6678 angstrom. For lead the line {lambda} = 5201 angstrom gives the possibility to determine the isotope abundance for the four isotopes of lead notwithstanding the presence of hyperfine structure of {sup 207}Pb. For uranium, line {lambda} 5027 angstrom is used, and this method allows to determine the composition of isotope mixtures, the content of which in {sup 235}U may shorten to 0,1 per cent. Relative precision is about 2 per cent for contents in {sup 235}U over 1 per cent. For lower contents, this line {lambda} = 5027 angstrom will allow relative measures when using previously dosed mixtures. (author) [French] L'analyse quantitative des melanges isotopiques par spectroscopie d'emission doit son existence au phenomene appele 'deplacement isotopique', c'est-a-dire au fait que les raies spectrales emises par un

  11. Neutron Activation Analysis and Moessbauer Correlations of Archaeological Pottery from Amazon Basin for Classification Studies

    International Nuclear Information System (INIS)

    Bellido, A. V. B.; Latini, R. M.; Nicoli, I.; Scorzelli, R. B.; Solorzano, P. M.

    2011-01-01

    The aim of the present work was to investigate the correlation between data obtained by means of two analytical methods, instrumental neutron activation analysis (INAA) and Moessbauer Spectroscopy of pottery samples combined with multivariate statistical analysis in order to optimize quantitative analysis in the classification studies. Ceramics recently discovered in archaeological earth circular structures sites in Acre state Brazil. 199 samples were analyzed by INAA, allowing simultaneous determination of twenty elements chemical concentrations, and 44 samples by using Moessbauer Spectroscopy, allowing the determination of fourteen hyperfine parameters. For the correlation study, data were treated by two multivariate statistical methods: cluster analysis for the classification and the principal component analysis for the data correlations. INAA data show that some of REE (rare earth elements) were the discriminating variables for this technique. Mossbauer parameters that exhibit the same behavior are being investigated, remarkable improve can be seem for the combined REE and the Mossbauer variables showing a good results considering the limited number of samples. This data matrix is being used for the understanding in the studies of classification and provenance of ceramics prehistory of the Amazonic basin.

  12. Medical Diagnostic Breath Analysis by Cavity Ring Down Spectroscopy

    Science.gov (United States)

    Guss, Joseph S.; Metsälä, Markus; Halonen, Lauri

    2009-06-01

    Certain medical conditions give rise to the presence of chemicals in the bloodstream. These chemicals - known as biomarkers - may also be present in low concentrations in human breath. Cavity ring down spectroscopy possesses the requisite selectivity and sensitivity to detect such biomarkers in the congested spectrum of a breath sample. The ulcer-causing bacterium, Helicobacter pylori, is a prolific producer of the enzyme urease, which catalyses the breakdown of urea ((NH_2)_2CO) in the stomach as follows: (NH_2)_2CO + H_2O ⟶ CO_2 + 2NH_3 Currently, breath tests seeking altered carbon-isotope ratios in exhaled CO_2 after the ingestion of ^{13}C- or ^{14}C-labeled urea are used to diagnose H. pylori infection. We present recent results from an ongoing collaboration with Tampere Area University Hospital. The study involves 100 patients (both infected and uninfected) and concerns the possible correlation between the bacterial infection and breath ammonia. D. Y. Graham, P. D. Klein, D. J. Evans, Jr, D. G. Evans, L. C. Alpert, A. R. Opekun, T. W. Boutton, Lancet 1(8543), 1174-7 March 1987.

  13. Analysis of bakery products by laser-induced breakdown spectroscopy.

    Science.gov (United States)

    Bilge, Gonca; Boyacı, İsmail Hakkı; Eseller, Kemal Efe; Tamer, Uğur; Çakır, Serhat

    2015-08-15

    In this study, we focused on the detection of Na in bakery products by using laser-induced breakdown spectroscopy (LIBS) as a quick and simple method. LIBS experiments were performed to examine the Na at 589 nm to quantify NaCl. A series of standard bread sample pellets containing various concentrations of NaCl (0.025-3.5%) were used to construct the calibration curves and to determine the detection limits of the measurements. Calibration graphs were drawn to indicate functions of NaCl and Na concentrations, which showed good linearity in the range of 0.025-3.5% NaCl and 0.01-1.4% Na concentrations with correlation coefficients (R(2)) values greater than 0.98 and 0.96. The obtained detection limits for NaCl and Na were 175 and 69 ppm, respectively. Performed experimental studies showed that LIBS is a convenient method for commercial bakery products to quantify NaCl concentrations as a rapid and in situ technique. Copyright © 2015 Elsevier Ltd. All rights reserved.

  14. Validation studies on quick analysis of MOX fuel by combination of laser induced breakdown spectroscopy and ablation resonance absorption spectroscopy

    International Nuclear Information System (INIS)

    Wakaida, Ikuo; Akaoka, Katsuaki; Miyabe, Masabumi; Kato, Masaaki; Otobe, Haruyoshi; Ohoba, Hironori; Khumaeni, Ali

    2014-01-01

    Research and development of laser based quick analysis without chemical analysis and neutron measurement for next-generation Minor Actinide containing MOX fuel has been carried out, and the basic performances by using un-irradiated MOX fuel were demonstrated. The glove box had been re-constructed and specialized for laser spectroscopy, and the remote spectroscopy of MOX sample contained several concentrations of Pu was performed. In elemental analysis by Laser Induced Breakdown Spectroscopy (LIBS) with high resolution spectrometer, relative error of 2.9% at 30% Pu and the detection lower limit of 2500ppm in natural U oxide were demonstrated with the operation time of 5 min. In isotope ratio analysis by Ablation Resonance Absorption Spectroscopy, tunable semiconductor laser system was constructed, and the performances such as relative deviation less than 1% in the ratio of "2"4"0Pu/"2"3"9Pu and the sensitivity of 30-100ppm in natural U were also accomplished with laser operation time of 3 to 5min. As for an elemental analysis of the simulated liquid sample, ultra-thin laminate flow was experimented as LIBS target, and the sensitivity comparable to conventional ICP-AES was confirmed. Present study includes the result of the entrusted project by the Ministry of Education, Culture, Sports, Science and Technology of Japan (MEXT). (author)

  15. Atmospheric Transmission Measurements Using IR Lasers, Fourier Transform Spectroscopy, and Gas-Filter Correlation Techniques

    National Research Council Canada - National Science Library

    Dowling, J

    1977-01-01

    ... and a gas filter correlation spectrometer. Results obtained from three concurrent experiments used to generate a data base appropriate to high resolution transmission model validation are displayed...

  16. Recent Developments in Fluorescence Correlation Spectroscopy for Diffusion Measurements in Planar Lipid Membranes

    Czech Academy of Sciences Publication Activity Database

    Macháň, Radek; Hof, Martin

    2010-01-01

    Roč. 11, č. 2 (2010), s. 427-457 E-ISSN 1422-0067 R&D Projects: GA ČR GA203/08/0114; GA AV ČR GEMEM/09/E006 Institutional research plan: CEZ:AV0Z40400503 Keywords : lateral diffusion * fluorescence fluctuation spectroscopy * confocal microscopy Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.279, year: 2010

  17. Fluorescence lifetime correlation spectroscopy combined with lifetime tuning: New perspectives in supported phospholipid bilayer research

    Czech Academy of Sciences Publication Activity Database

    Benda, Aleš; Fagulová, Veronika; Deyneka, Alexander; Enderlain, J.; Hof, Martin

    2006-01-01

    Roč. 22, č. 23 (2006), s. 9580-9585 ISSN 0743-7463 R&D Projects: GA ČR GA203/05/2308; GA MŠk LC06063 Institutional research plan: CEZ:AV0Z40400503; CEZ:AV0Z10100522 Keywords : spectroscopy * fluorescence * FLCS Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.902, year: 2006

  18. Handwriting: Feature Correlation Analysis for Biometric Hashes

    Science.gov (United States)

    Vielhauer, Claus; Steinmetz, Ralf

    2004-12-01

    In the application domain of electronic commerce, biometric authentication can provide one possible solution for the key management problem. Besides server-based approaches, methods of deriving digital keys directly from biometric measures appear to be advantageous. In this paper, we analyze one of our recently published specific algorithms of this category based on behavioral biometrics of handwriting, the biometric hash. Our interest is to investigate to which degree each of the underlying feature parameters contributes to the overall intrapersonal stability and interpersonal value space. We will briefly discuss related work in feature evaluation and introduce a new methodology based on three components: the intrapersonal scatter (deviation), the interpersonal entropy, and the correlation between both measures. Evaluation of the technique is presented based on two data sets of different size. The method presented will allow determination of effects of parameterization of the biometric system, estimation of value space boundaries, and comparison with other feature selection approaches.

  19. Handwriting: Feature Correlation Analysis for Biometric Hashes

    Directory of Open Access Journals (Sweden)

    Ralf Steinmetz

    2004-04-01

    Full Text Available In the application domain of electronic commerce, biometric authentication can provide one possible solution for the key management problem. Besides server-based approaches, methods of deriving digital keys directly from biometric measures appear to be advantageous. In this paper, we analyze one of our recently published specific algorithms of this category based on behavioral biometrics of handwriting, the biometric hash. Our interest is to investigate to which degree each of the underlying feature parameters contributes to the overall intrapersonal stability and interpersonal value space. We will briefly discuss related work in feature evaluation and introduce a new methodology based on three components: the intrapersonal scatter (deviation, the interpersonal entropy, and the correlation between both measures. Evaluation of the technique is presented based on two data sets of different size. The method presented will allow determination of effects of parameterization of the biometric system, estimation of value space boundaries, and comparison with other feature selection approaches.

  20. Elemental analysis of cotton by laser-induced breakdown spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Schenk, Emily R.; Almirall, Jose R.

    2010-05-01

    Laser-induced breakdown spectroscopy (LIBS) has been applied to the elemental characterization of unprocessed cotton. This research is important in forensic and fraud detection applications to establish an elemental fingerprint of U.S. cotton by region, which can be used to determine the source of the cotton. To the best of our knowledge, this is the first report of a LIBS method for the elemental analysis of cotton. The experimental setup consists of a Nd:YAG laser that operates at the fundamental wavelength as the LIBS excitation source and an echelle spectrometer equipped with an intensified CCD camera. The relative concentrations of elements Al, Ba, Ca, Cr, Cu, Fe, Mg, and Sr from both nutrients and environmental contributions were determined by LIBS. Principal component analysis was used to visualize the differences between cotton samples based on the elemental composition by region in the U.S. Linear discriminant analysis of the LIBS data resulted in the correct classification of >97% of the cotton samples by U.S. region and >81% correct classification by state of origin.

  1. Remote metal analysis by laser induced breakdown spectroscopy

    International Nuclear Information System (INIS)

    Duckworth, A.

    1996-01-01

    This paper describes a new technique by which the composition of irradiated or inaccessible reactor components can be determined remotely. The technique uses very short duration, high energy laser pulses at a wavelength which can be transmitted down an optical fibre to ablate a tiny plasma from the surface of a metal component. Light from the plasma is collected by a second fibre and returned to a spectrometer where it is split into the characteristic emission wavelengths of the elements in the sample. Comparison of the emission line amplitude for a particular element with that of a chosen calibration line can be used to deduce the concentration of the element in the sample. The technique has been used successfully to differentiate between different highly radioactive control rod batches at Sizewell ''A'' and Hinkley Point ''A'' Power Stations. The material analysis accuracy is comparable with that obtained from electron microphobe analysis and other direct spectroscopic methods. However, by analysing the mild steel control rod casing material remotely, difficult sample removal becomes unneccessary and the integrity of the component remains essentially unaltered. In addition, removal of deposits or surface corrosion is incorporated very neatly into the process. These factors make remote laser induced breakdown spectroscopy an ideal tool for material analysis in the nuclear environment. (UK)

  2. Larch: An Analysis Package for XAFS and Related Spectroscopies

    International Nuclear Information System (INIS)

    Newville, Matthew

    2013-01-01

    LARCH, a package of analysis tools for XAFS and related spectroscopies is presented. A complete rewrite of the ifeffit package, the initial release of larch preserves the core XAFS analysis procedures such as normalization, background subtraction, Fourier transforms, fitting of XANES spectra, and fitting of experimental spectra to a sum of feff Paths, with few algorithmic changes made in comparison to IFEFFIT. LARCH is written using Python and its packages for scientific programming, which gives significant improvements over IFEFFIT in the ability to handle multi-dimensional and large data sets, write complex analysis scripts, visualize data, add new functionality, and customize existing capabilities. Like the earlier version, larch can run from an interactive command line or in batch-mode, but larch can also be run as a server and accessed from clients using standard inter-process communication techniques available in a variety of computer languages. larch is freely available under an open source license. Examples of using larch are shown, future directions for development are discussed, and collaborations for adding new capabilities are actively sought.

  3. Remote metal analysis by laser induced breakdown spectroscopy

    International Nuclear Information System (INIS)

    Duckworth, A.

    1996-01-01

    This paper describes a new technique by which the composition of irradiated or inaccessible reactor components can be determined remotely. The technique uses very short duration, high energy laser pulses at a wavelength which can be transmitted down an optical fibre to ablate a tiny plasma from the surface of a metal component. Light from the plasma is collected by a second fibre and returned to a spectrometer where it is split into the characteristic emission wavelengths of the elements in the sample. Comparison of the emission line amplitude for a particular element with that of a chosen calibrationline can be used to deduce the concentration of the element in the sample. The technique has been used successfully to differentiate between highly radioactive control rod batches at Sizewell 'A' and Hinkley Point 'A Power Stations. The material analysis accuracy is comparable with that obtained from electron microprobe analysis and other direct spectroscopic methods. However, by analysing the mild steel control rod casing material remotely, difficult sample removal becomes unnecessary and the integrity of the component remains essentially unaltered. In addition, removal of deposits or surface corrosion is incorporated very neatly into the process. These factors make remote laser induced breakdown spectroscopy an ideal tool for material analysis in the nuclear environment. (Author)

  4. Wilson's disease: {sup 31}P and {sup 1}H MR spectroscopy and clinical correlation

    Energy Technology Data Exchange (ETDEWEB)

    Sinha, Sanjib; Taly, A.B.; Prashanth, L.K. [National Institute of Mental Health and Neurosciences (NIMHANS), Department of Neurology, Bangalore (India); Ravishankar, S.; Vasudev, M.K. [National Institute of Mental Health and Neurosciences (NIMHANS), Department of Neuroimaging and Interventional Radiology, Bangalore (India)

    2010-11-15

    Proton ({sup 1}H) magnetic resonance spectroscopy (MRS) changes are noted in Wilson's disease (WD). However, there are no studies regarding membrane phospholipid abnormality using {sup 31}P MRS in these patients. We aimed to analyze the striatal spectroscopic abnormalities using {sup 31}P and {sup 1}H MRS in WD. Forty patients of WD (treated, 29; untreated,11) and 30 controls underwent routine MR image sequences and in vivo 2-D {sup 31}P and {sup 1}H MRS of basal ganglia using an image-selected technique on a 1.5-T MRI scanner. Statistical analysis was done using Student's t test. The mean durations of illness and treatment were 6.2 {+-} 7.4 and 4.8 {+-} 5.9 years, respectively. MRI images were abnormal in all the patients. {sup 1}H MRS revealed statistically significant reduction of N-acetyl aspartate (NAA)/choline (Cho) and NAA/creatine ratios in striatum ({sup 1}H MRS) of treated patients compared to controls. The mean values of phosphomonoesters (PME) (p < 0.0001), phosphodiesters (PDE) (p < 0.0001), and total phosphorus (TPh) (p < 0.0001) were elevated in patients compared to controls. Statistically significant elevated levels of ratio of PME/PDE (p = 0.05) observed in the striatum were noted in treated patients as compared to controls in the {sup 31}P MRS study. The duration of illness correlated well with increased PME/PDE [p < 0.001], PME/TPh [p < 0.05], and PDE/TPh [p < 0.05] and decreased NAA/Cho [p < 0.05] ratios. There was correlation of MRI score and reduced NAA/Cho ratio with disease severity. The PME/PDE ratio (right) was elevated in the treated group [p < 0.001] compared to untreated group. There is reduced breakdown and/or increased synthesis of membrane phospholipids and increased neuronal damage in basal ganglia in patients with WD. (orig.)

  5. Study of the mixed alkali effect in lithium and sodium metaphosphate glass-forming liquids by photon correlation spectroscopy

    International Nuclear Information System (INIS)

    Changstrom, J R; Sidebottom, D L

    2008-01-01

    We report results of an extensive study of the structural relaxation occurring in mixed alkali metaphosphate liquids obtained by photon correlation spectroscopy. Values for the glass transition temperature, the fragility index, and the heterogeneity parameter (also known as the Kohlrausch exponent) are extracted from the measurements and are all shown to exhibit a mixed alkali effect wherein nonlinear variations with mixing occur. The depression in the glass transition temperature is shown to be the direct result of mechanical relaxations, present in the solid, which prematurely loosen the glass structure. A minimum in the fragility index is believed to be an artifact of the resulting depression of the glass transition temperature

  6. Membrane mobility and microdomain association of the dopamine transporter studied with fluorescence correlation spectroscopy and fluorescence recovery after photobleaching

    DEFF Research Database (Denmark)

    Adkins, Erika M; Samuvel, Devadoss J; Fog, Jacob U

    2007-01-01

    To investigate microdomain association of the dopamine transporter (DAT), we employed FCS (fluorescence correlation spectroscopy) and FRAP (fluorescence recovery after photobleaching). In non-neuronal cells (HEK293), FCS measurements revealed for the YFP-DAT (DAT tagged with yellow fluorescent...... protein) a diffusion coefficient (D) of approximately 3.6 x 10(-9) cm2/s, consistent with a relatively freely diffusible protein. In neuronally derived cells (N2a), we were unable to perform FCS measurements on plasma membrane-associated protein due to photobleaching, suggesting partial immobilization...

  7. Membrane mobility and microdomain association of the dopaminetransporter studied with fluorescence correlation spectroscopy and fluorescence recovery after photobleaching

    DEFF Research Database (Denmark)

    Adkins, Erika; Samuvel, Devadoss; Fog, Jacob

    2007-01-01

    To investigate microdomain association of the dopamine transporter (DAT), we employed FCS (fluorescence correlation spectroscopy) and FRAP (fluorescence recovery after photobleaching). In non-neuronal cells (HEK293), FCS measurements revealed for the YFP-DAT (DAT tagged with yellow fluorescent...... protein) a diffusion coefficient (D) of ~3.6 × 10-9 cm2/s, consistent with a relatively freely diffusible protein. In neuronally derived cells (N2a), we were unable to perform FCS measurements on plasma membrane-associated protein due to photobleaching, suggesting partial immobilization...

  8. Chemical analysis of acoustically levitated drops by Raman spectroscopy.

    Science.gov (United States)

    Tuckermann, Rudolf; Puskar, Ljiljana; Zavabeti, Mahta; Sekine, Ryo; McNaughton, Don

    2009-07-01

    An experimental apparatus combining Raman spectroscopy with acoustic levitation, Raman acoustic levitation spectroscopy (RALS), is investigated in the field of physical and chemical analytics. Whereas acoustic levitation enables the contactless handling of microsized samples, Raman spectroscopy offers the advantage of a noninvasive method without complex sample preparation. After carrying out some systematic tests to probe the sensitivity of the technique to drop size, shape, and position, RALS has been successfully applied in monitoring sample dilution and preconcentration, evaporation, crystallization, an acid-base reaction, and analytes in a surface-enhanced Raman spectroscopy colloidal suspension.

  9. A New Green Method for the Quantitative Analysis of Enrofloxacin by Fourier-Transform Infrared Spectroscopy.

    Science.gov (United States)

    Rebouças, Camila Tavares; Kogawa, Ana Carolina; Salgado, Hérida Regina Nunes

    2018-05-18

    Background: A green analytical chemistry method was developed for quantification of enrofloxacin in tablets. The drug, a second-generation fluoroquinolone, was first introduced in veterinary medicine for the treatment of various bacterial species. Objective: This study proposed to develop, validate, and apply a reliable, low-cost, fast, and simple IR spectroscopy method for quantitative routine determination of enrofloxacin in tablets. Methods: The method was completely validated according to the International Conference on Harmonisation guidelines, showing accuracy, precision, selectivity, robustness, and linearity. Results: It was linear over the concentration range of 1.0-3.0 mg with correlation coefficients >0.9999 and LOD and LOQ of 0.12 and 0.36 mg, respectively. Conclusions: Now that this IR method has met performance qualifications, it can be adopted and applied for the analysis of enrofloxacin tablets for production process control. The validated method can also be utilized to quantify enrofloxacin in tablets and thus is an environmentally friendly alternative for the routine analysis of enrofloxacin in quality control. Highlights: A new green method for the quantitative analysis of enrofloxacin by Fourier-Transform Infrared spectroscopy was validated. It is a fast, clean and low-cost alternative for the evaluation of enrofloxacin tablets.

  10. Online analysis of potassium fertilizers by Laser-Induced Breakdown Spectroscopy

    International Nuclear Information System (INIS)

    Groisman, Y.; Gaft, M.

    2010-01-01

    Presently, online analysis in potassium fertilizers industry is performed by Natural Radioactivity Analyzers. Laser Distance Spectrometry (LDS) has tested, by laboratory scale, the possibility of Laser-Induced Breakdown Spectroscopy (LIBS) technique implementation for online fertilizers production control. The main advantage of the system comparing to the existing technique is the principal possibility to analyze all relevant elements, such as K, Na, Mg, and not only K40 isotope as done in natural radiation analytical systems. Good correlations between online LIBS results with chemical analysis data of K, Na and Mg impurities of samples from Russia, Belarus and Israel demonstrate that LIBS system is a perspective tool for online control of those elements in field conditions.

  11. Growth and trends in Auger-electron spectroscopy and x-ray photoelectron spectroscopy for surface analysis

    International Nuclear Information System (INIS)

    Powell, C.J.

    2003-01-01

    A perspective is given of the development and use of surface analysis, primarily by Auger-electron spectroscopy (AES) and x-ray photoelectron spectroscopy (XPS), for solving scientific and technological problems. Information is presented on growth and trends in instrumental capabilities, instrumental measurements with reduced uncertainties, knowledge of surface sensitivity, and knowledge and effects of sample morphology. Available analytical resources are described for AES, XPS, and secondary-ion mass spectrometry. Finally, the role of the American Vacuum Society in stimulating improved surface analyses is discussed

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

    International Nuclear Information System (INIS)

    Griffith, G.W.

    1982-09-01

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

  13. Aluminum alloy analysis using microchip-laser induced breakdown spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Freedman, Andrew [Center for Sensor Systems and Technologies, Aerodyne Research, Inc., 45 Manning Road Billerica, MA, 01821-3976 (United States)]. E-mail: af@aerodyne.com; Iannarilli, Frank J. [Center for Sensor Systems and Technologies, Aerodyne Research, Inc., 45 Manning Road Billerica, MA, 01821-3976 (United States); Wormhoudt, Joda C. [Center for Sensor Systems and Technologies, Aerodyne Research, Inc., 45 Manning Road Billerica, MA, 01821-3976 (United States)

    2005-08-31

    A laser induced breakdown spectroscopy-based apparatus for the analysis of aluminum alloys which employs a microchip laser and a handheld spectrometer with an ungated, non-intensified CCD array has been built and tested. The microchip laser, which emits low energy pulses (4-15 {mu}J) at high repetition rates (1-10 kHz) at 1064 nm, produces, when focused, an ablation crater with a radius on the order of only 10 {mu}m. The resulting emission is focused onto an optical fiber connected to 0.10 m focal length spectrometer with a spectral range of 275-413 nm. The apparatus was tested using 30 different aluminum alloy reference samples. Two techniques for constructing calibration curves from the data, peak integration and partial least squares regression, were quantitatively evaluated. Results for Fe, Mg, Mn, Ni, Si, and Zn indicated limits of detection (LOD) that ranged from 0.05 to 0.14 wt.% and overall measurement errors which varied from 0.06 to 0.18 wt.%. Higher limits of detection and overall error for Cu (> 0.3 wt.%) were attributed to analysis problems associated with the presence of optically thick lines and a spectral interference from Zn. Improvements in design and component sensitivity should increase overall performance by at least a factor of 2, allowing for dependable aluminum alloy classification.

  14. Medulloblastoma: correlation among findings of conventional magnetic resonance imaging, diffusion-weighted imaging and proton magnetic resonance spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Fonte, Mariana Vieira de Melo da; Otaduy, Maria Concepcion Garcia; Lucato, Leandro Tavares; Reed, Umbertina Conti; Leite, Claudia da Costa [Universidade de Sao Paulo (USP), Sao Paulo, SP (Brazil). Hospital das Clinicas. Inst. de Radiologia]. E-mail: mvmfonte@uol.com.br; Costa, Maria Olivia Rodrigues; Amaral, Raquel Portugal Guimaraes [Universidade de Sao Paulo (USP), Sao Paulo, SP (Brazil). Faculdade de Medicina. Dept. de Radiologia; Reed, Umbertina Conti [Universidade de Sao Paulo (USP), Sao Paulo, SP (Brazil). Faculdade de Medicina. Dept. de Neurologia; Rosemberg, Sergio [Universidade de Sao Paulo (USP), Sao Paulo, SP (Brazil). Hospital das Clinicas. Dept. de Patologia

    2008-11-15

    To correlate imaging findings of medulloblastomas at conventional magnetic resonance imaging, diffusion-weighted imaging and proton magnetic resonance spectroscopy, comparing them with data in the literature. Preoperative magnetic resonance imaging studies of nine pediatric patients with histologically confirmed medulloblastomas (eight desmoplastic medulloblastoma, and one giant cell medulloblastoma) were retrospectively reviewed, considering demographics as well as tumors characteristics such as localization, morphology, signal intensity, contrast-enhancement, dissemination, and diffusion-weighted imaging and spectroscopy findings. In most of cases the tumors were centered in the cerebellar vermis (77.8%), predominantly solid (88.9%), hypointense on T 1-weighted images and intermediate/hyperintense on T 2-FLAIR-weighted images, with heterogeneous enhancement (100%), tumor dissemination/extension (77.8%) and limited water molecule mobility (100%). Proton spectroscopy acquired with STEAM technique (n = 6) demonstrated decreased Na a / Cr ratio (83.3%) and increased Co/Cr (100%) and ml/Cr (66.7%) ratios; and with PRESS technique (n = 7) demonstrated lactate peak (57.1%). Macroscopic magnetic resonance imaging findings in association with biochemical features of medulloblastomas have been useful in the differentiation among the most frequent posterior fossa tumors. (author)

  15. Medulloblastoma: correlation among findings of conventional magnetic resonance imaging, diffusion-weighted imaging and proton magnetic resonance spectroscopy

    International Nuclear Information System (INIS)

    Fonte, Mariana Vieira de Melo da; Otaduy, Maria Concepcion Garcia; Lucato, Leandro Tavares; Reed, Umbertina Conti; Leite, Claudia da Costa; Costa, Maria Olivia Rodrigues; Amaral, Raquel Portugal Guimaraes; Reed, Umbertina Conti; Rosemberg, Sergio

    2008-01-01

    To correlate imaging findings of medulloblastomas at conventional magnetic resonance imaging, diffusion-weighted imaging and proton magnetic resonance spectroscopy, comparing them with data in the literature. Preoperative magnetic resonance imaging studies of nine pediatric patients with histologically confirmed medulloblastomas (eight desmoplastic medulloblastoma, and one giant cell medulloblastoma) were retrospectively reviewed, considering demographics as well as tumors characteristics such as localization, morphology, signal intensity, contrast-enhancement, dissemination, and diffusion-weighted imaging and spectroscopy findings. In most of cases the tumors were centered in the cerebellar vermis (77.8%), predominantly solid (88.9%), hypointense on T 1-weighted images and intermediate/hyperintense on T 2-FLAIR-weighted images, with heterogeneous enhancement (100%), tumor dissemination/extension (77.8%) and limited water molecule mobility (100%). Proton spectroscopy acquired with STEAM technique (n = 6) demonstrated decreased Na a / Cr ratio (83.3%) and increased Co/Cr (100%) and ml/Cr (66.7%) ratios; and with PRESS technique (n = 7) demonstrated lactate peak (57.1%). Macroscopic magnetic resonance imaging findings in association with biochemical features of medulloblastomas have been useful in the differentiation among the most frequent posterior fossa tumors. (author)

  16. Semiclassical analysis spectral correlations in mesoscopic systems

    International Nuclear Information System (INIS)

    Argaman, N.; Imry, Y.; Smilansky, U.

    1991-07-01

    We consider the recently developed semiclassical analysis of the quantum mechanical spectral form factor, which may be expressed in terms of classically defiable properties. When applied to electrons whose classical behaviour is diffusive, the results of earlier quantum mechanical perturbative derivations, which were developed under a different set of assumptions, are reproduced. The comparison between the two derivations shows that the results depends not on their specific details, but to a large extent on the principle of quantum coherent superposition, and on the generality of the notion of diffusion. The connection with classical properties facilitates application to many physical situations. (author)

  17. Independent component analysis classification of laser induced breakdown spectroscopy spectra

    International Nuclear Information System (INIS)

    Forni, Olivier; Maurice, Sylvestre; Gasnault, Olivier; Wiens, Roger C.; Cousin, Agnès; Clegg, Samuel M.; Sirven, Jean-Baptiste; Lasue, Jérémie

    2013-01-01

    The ChemCam instrument on board Mars Science Laboratory (MSL) rover uses the laser-induced breakdown spectroscopy (LIBS) technique to remotely analyze Martian rocks. It retrieves spectra up to a distance of seven meters to quantify and to quantitatively analyze the sampled rocks. Like any field application, on-site measurements by LIBS are altered by diverse matrix effects which induce signal variations that are specific to the nature of the sample. Qualitative aspects remain to be studied, particularly LIBS sample identification to determine which samples are of interest for further analysis by ChemCam and other rover instruments. This can be performed with the help of different chemometric methods that model the spectra variance in order to identify a the rock from its spectrum. In this paper we test independent components analysis (ICA) rock classification by remote LIBS. We show that using measures of distance in ICA space, namely the Manhattan and the Mahalanobis distance, we can efficiently classify spectra of an unknown rock. The Mahalanobis distance gives overall better performances and is easier to manage than the Manhattan distance for which the determination of the cut-off distance is not easy. However these two techniques are complementary and their analytical performances will improve with time during MSL operations as the quantity of available Martian spectra will grow. The analysis accuracy and performances will benefit from a combination of the two approaches. - Highlights: • We use a novel independent component analysis method to classify LIBS spectra. • We demonstrate the usefulness of ICA. • We report the performances of the ICA classification. • We compare it to other classical classification schemes

  18. Liquid steel analysis by laser-induced plasma spectroscopy

    International Nuclear Information System (INIS)

    Gruber, J.

    2002-11-01

    When a nanosecond pulsed laser is focused onto a sample and the intensity exceeds a certain threshold, material is vaporized and a plasma is formed above the sample surface. The laser-light becomes increasingly absorbed by inverse bremsstrahlung and by photo-excitation and photo-ionization of atoms and molecules. The positive feedback, by which the number of energetic electrons for ionization is increased in an avalanche-like manner under the influence of laser-light, is the so-called optical breakdown. Radiating excited atoms and ions within the expanding plasma plume produce a characteristic optical emission spectrum. A spectroscopic analysis of this optical emission of the laser-induced plasma permits a qualitative and quantitative chemical analysis of the investigated sample. This technique is therefore often called laser-induced plasma spectroscopy (LIPS) or laser-induced breakdown spectroscopy (LIBS). LIPS is a fast non-contact technique, by which solid, liquid or gaseous samples can be analyzed with respect to their chemical composition. Hence, it is an appropriate tool for the rapid in-situ analysis of not easily accessible surfaces for process control in industrial environments. In this work, LIPS was studied as a technique to determine the chemical composition of solid and liquid steel. A LIPS set-up was designed and built for the remote and continuous in-situ analysis of the steel melt. Calibration curves were prepared for the LIPS analysis of Cr, Mn, Ni and Cu in solid steel using reference samples with known composition. In laboratory experiments an induction furnace was used to melt steel samples in crucibles, which were placed at a working distance of 1.5 m away from the LIPS apparatus. The response of the LIPS system was monitored on-line during the addition of pure elements to the liquid steel bath within certain concentration ranges (Cr: 0.11 - 13.8 wt%, Cu: 0.044 - 0.54 wt%, Mn: 1.38 - 2.5 wt%, Ni: 0.049 - 5.92 wt%). The analysis of an element

  19. Quantifying the number of color centers in single fluorescent nanodiamonds by photon correlation spectroscopy and Monte Carlo simulation

    International Nuclear Information System (INIS)

    Hui, Y.Y.; Chang, Y.-R.; Lee, H.-Y.; Chang, H.-C.; Lim, T.-S.; Fann Wunshain

    2009-01-01

    The number of negatively charged nitrogen-vacancy centers (N-V) - in fluorescent nanodiamond (FND) has been determined by photon correlation spectroscopy and Monte Carlo simulations at the single particle level. By taking account of the random dipole orientation of the multiple (N-V) - fluorophores and simulating the probability distribution of their effective numbers (N e ), we found that the actual number (N a ) of the fluorophores is in linear correlation with N e , with correction factors of 1.8 and 1.2 in measurements using linearly and circularly polarized lights, respectively. We determined N a =8±1 for 28 nm FND particles prepared by 3 MeV proton irradiation

  20. Fragmentation of the C60 molecule in collision with light ions studied by a multi-correlation technique. Cross-sections, electron spectroscopy

    International Nuclear Information System (INIS)

    Rentenier, A.

    2004-04-01

    A quantitative study of the C60 fullerenes fragmentation in collision with light ions (H n + with n=1,2,3, He q+ with q=1,2) in the velocity range 0,1 - 2,3 u.a.) is presented. The multi-correlation technique, developed between fragment ions and electrons with well defined energy, has enlightened some of the dependences and properties of fragmentation mechanisms (cross sections, electron spectroscopy, size distributions, kinetic energy of fragment ions, Campi's scatter plot, activation energies). The deposited energy hence appeared as an important parameter. Cross sections have been measured, for the first time, for all the collisional processes. Ionisation and capture only depends on the collision velocity. On the other hand, scaling laws with the deposited energy have been observed for the cross sections of multifragmentation, which depends on the collision energy and the nature of the projectile. The deposited energy has also been found as an essential parameter to understand the evolution of the charged fragment size distributions. The electron spectroscopy, achieved at an emission angle of 35 degrees, showed spectra peaked at important energies (from 5 to 20 eV). The spectra shape depends on the collision velocity. A first theoretical analysis points out the link between the observed energy distribution and the presence of a centrifugal potential barrier. Finally, correlation experiments between produced ions and electron energy reveal that electron energy increases with internal energy. (author)

  1. Anharmonic Infrared Spectroscopy through the Fourier Transform of Time Correlation Function Formalism in ONETEP.

    Science.gov (United States)

    Vitale, Valerio; Dziedzic, Jacek; Dubois, Simon M-M; Fangohr, Hans; Skylaris, Chris-Kriton

    2015-07-14

    Density functional theory molecular dynamics (DFT-MD) provides an efficient framework for accurately computing several types of spectra. The major benefit of DFT-MD approaches lies in the ability to naturally take into account the effects of temperature and anharmonicity, without having to introduce any ad hoc or a posteriori corrections. Consequently, computational spectroscopy based on DFT-MD approaches plays a pivotal role in the understanding and assignment of experimental peaks and bands at finite temperature, particularly in the case of floppy molecules. Linear-scaling DFT methods can be used to study large and complex systems, such as peptides, DNA strands, amorphous solids, and molecules in solution. Here, we present the implementation of DFT-MD IR spectroscopy in the ONETEP linear-scaling code. In addition, two methods for partitioning the dipole moment within the ONETEP framework are presented. Dipole moment partitioning allows us to compute spectra of molecules in solution, which fully include the effects of the solvent, while at the same time removing the solvent contribution from the spectra.

  2. Superatom spectroscopy and the electronic state correlation between elements and isoelectronic molecular counterparts.

    Science.gov (United States)

    Peppernick, Samuel J; Gunaratne, K D Dasitha; Castleman, A W

    2010-01-19

    Detailed in the present investigation are results pertaining to the photoelectron spectroscopy of negatively charged atomic ions and their isoelectronic molecular counterparts. Experiments utilizing the photoelectron imaging technique are performed on the negative ions of the group 10 noble metal block (i.e. Ni-, Pd-, and Pt-) of the periodic table at a photon energy of 2.33 eV (532 nm). The accessible electronic transitions, term energies, and orbital angular momentum components of the bound electronic states in the atom are then compared with photoelectron images collected for isoelectronic early transition metal heterogeneous diatomic molecules, M-X- (M = Ti,Zr,W; X = O or C). A superposition principle connecting the spectroscopy between the atomic and molecular species is observed, wherein the electronic structure of the diatomic is observed to mimic that present in the isoelectronic atom. The molecular ions studied in this work, TiO-, ZrO-, and WC- can then be interpreted as possessing superatomic electronic structures reminiscent of the isoelectronic elements appearing on the periodic table, thereby quantifying the superatom concept.

  3. Two-dimensional multifractal cross-correlation analysis

    International Nuclear Information System (INIS)

    Xi, Caiping; Zhang, Shuning; Xiong, Gang; Zhao, Huichang; Yang, Yonghong

    2017-01-01

    Highlights: • We study the mathematical models of 2D-MFXPF, 2D-MFXDFA and 2D-MFXDMA. • Present the definition of the two-dimensional N 2 -partitioned multiplicative cascading process. • Do the comparative analysis of 2D-MC by 2D-MFXPF, 2D-MFXDFA and 2D-MFXDMA. • Provide a reference on the choice and parameter settings of these methods in practice. - Abstract: There are a number of situations in which several signals are simultaneously recorded in complex systems, which exhibit long-term power-law cross-correlations. This paper presents two-dimensional multifractal cross-correlation analysis based on the partition function (2D-MFXPF), two-dimensional multifractal cross-correlation analysis based on the detrended fluctuation analysis (2D-MFXDFA) and two-dimensional multifractal cross-correlation analysis based on the detrended moving average analysis (2D-MFXDMA). We apply these methods to pairs of two-dimensional multiplicative cascades (2D-MC) to do a comparative study. Then, we apply the two-dimensional multifractal cross-correlation analysis based on the detrended fluctuation analysis (2D-MFXDFA) to real images and unveil intriguing multifractality in the cross correlations of the material structures. At last, we give the main conclusions and provide a valuable reference on how to choose the multifractal algorithms in the potential applications in the field of SAR image classification and detection.

  4. Spectroscopy 101: A Practical Introduction to Spectroscopy and Analysis for Undergraduate Organic Chemistry Laboratories

    Science.gov (United States)

    Morrill, Lucas A.; Kammeyer, Jacquelin K.; Garg, Neil K.

    2017-01-01

    An undergraduate organic chemistry laboratory that provides an introduction to various spectroscopic techniques is reported. Whereas organic spectroscopy is most often learned and practiced in the context of reaction analyses, this laboratory experiment allows students to become comfortable with [superscript 1]H NMR, [superscript 13]C NMR, and IR…

  5. Quantitative HRMAS proton total correlation spectroscopy applied to cultured melanoma cells treated by chloroethyl nitrosourea: demonstration of phospholipid metabolism alterations.

    Science.gov (United States)

    Morvan, Daniel; Demidem, Aicha; Papon, Janine; Madelmont, Jean Claude

    2003-02-01

    Recent NMR spectroscopy developments, such as high-resolution magic angle spinning (HRMAS) probes and correlation-enhanced 2D sequences, now allow improved investigations of phospholipid (Plp) metabolism. Using these modalities we previously demonstrated that a mouse-bearing melanoma tumor responded to chloroethyl nitrosourea (CENU) treatment in vivo by altering its Plp metabolism. The aims of the present study were to investigate whether HRMAS proton total correlation spectroscopy (TOCSY) could be used as a quantitative technique to probe Plp metabolism, and to determine the Plp metabolism response of cultured B16 melanoma cells to CENU treatment in vitro. The exploited TOCSY signals of Plp derivatives arose from scalar coupling among the protons of neighbor methylene groups within base headgroups (choline and ethanolamine). For strongly expressed Plp derivatives, TOCSY signals were compared to saturation recovery signals and demonstrated a linear relationship. HRMAS proton TOCSY was thus used to provide concentrations of Plp derivatives during long-term follow-up of CENU-treated cell cultures. Strong Plp metabolism alteration was observed in treated cultured cells in vitro involving a down-regulation of phosphocholine, and a dramatic and irreversible increase of phosphoethanolamine. These findings are discussed in relation to previous in vivo data, and to Plp metabolism enzymatic involvement. Copyright 2003 Wiley-Liss, Inc.

  6. Psychobiological Correlates of Vaginismus: An Exploratory Analysis.

    Science.gov (United States)

    Maseroli, Elisa; Scavello, Irene; Cipriani, Sarah; Palma, Manuela; Fambrini, Massimiliano; Corona, Giovanni; Mannucci, Edoardo; Maggi, Mario; Vignozzi, Linda

    2017-11-01

    Evidence concerning the determinants of vaginismus (V), in particular medical conditions, is inconclusive. To investigate, in a cohort of subjects consulting for female sexual dysfunction, whether there is a difference in medical and psychosocial parameters between women with V and women with other sexual complaints. A series of 255 women attending our clinic for female sexual dysfunction was consecutively recruited. V was diagnosed according to Diagnostic and Statistical Manual of Mental Disorders, Fourth Edition, Text Revision criteria. Lifelong and acquired V cases were included. Patients underwent a structured interview and physical, gynecologic, laboratory, and clitoral ultrasound examinations; they completed the Female Sexual Function Index (FSFI), the Middlesex Hospital Questionnaire, the Female Sexual Distress Scale-Revised (FSDS), and the Body Uneasiness Test. V was diagnosed in 20 patients (7.8%). Women with V were significantly younger than the rest of the sample (P Vaginismus: An Exploratory Analysis. J Sex Med 2017;14:1392-1402. Copyright © 2017 International Society for Sexual Medicine. Published by Elsevier Inc. All rights reserved.

  7. Krypton isotope analysis using near-resonant stimulated Raman spectroscopy

    International Nuclear Information System (INIS)

    Whitehead, C.A.; Cannon, B.D.; Wacker, J.F.

    1994-12-01

    A method for measuring low relative abundances of 85 Kr in one liter or less samples of air has been under development here at Pacific Northwest Laboratory. The goal of the Krypton Isotope Laser Analysis (KILA) method is to measure ratios of 10 -10 or less of 85 Kr to more abundant stable krypton. Mass spectrometry and beta counting are the main competing technologies used in rare-gas trace analysis and are limited in application by such factors as sample size, counting times, and selectivity. The use of high-resolution lasers to probe hyperfine levels to determine isotopic abundance has received much attention recently. In this study, we report our progress on identifying and implementing techniques for trace 85 Kr analysis on small gas samples in a static cell as well as limitations on sensitivity and selectivity for the technique. High-resolution pulsed and cw lasers are employed in a laser-induced fluorescence technique that preserves the original sample. This technique, is based on resonant isotopic depletion spectroscopy (RIDS) in which one isotope is optically depleted while preserving the population of a less abundant isotope. The KILA method consists of three steps. In the first step, the 1s 5 metastable level of krypton is populated via radiative cascade following two-photon excitation of the 2p 6 energy level. Next, using RBDS, the stable krypton isotopes are optically depleted to the ground state through the 1s 4 level with the bulk of the 85 Kr population being preserved. Finally, the remaining metastable population is probed to determine 85 Kr concentration. The experimental requirements for each of these steps are outlined below

  8. Bispectral analysis of harmonic oscillations measured using beam emission spectroscopy and magnetic probes in CHS

    International Nuclear Information System (INIS)

    Oishi, Tetsutarou; Yoshinuma, Mikirou; Ida, Katsumi; Akiyama, Tsuyoshi; Minami, Takashi; Nagaoka, Kenichi; Shimizu, Akihiro; Okamura, Shoichi; Kado, Shinichiro

    2008-01-01

    The coherent MHD oscillation, which consists of the fundamental frequency of several kilohertz and its higher harmonics, (harmonic oscillation: HO) has been observed in Compact Helical System. HO consists of two pairs of harmonic series. One is located in the core region near the ι=0.5 rational surface (denoted as 'HO (core)'), the other is located in the edge region near the ι=1.0 rational surface (denoted as 'HO (edge)'). In the present study, bispectral analysis is applied to the fluctuation data, for which HO is measured by beam emission spectroscopy (BES) and using magnetic probes. The analysis has revealed that fundamental mode of HO in both the magnetic and core density fluctuations have phase correlation with the harmonics including fundamental oscillation, while HO in edge density fluctuation does not have such phase correlation. Mode numbers of HOs are identical for harmonic components having different frequencies, i.e., m/n=-2/1 for HO (core) and m/n=-1/1 for HO (edge). It suggests that the generation of harmonics cannot be interpreted simply as mode coupling because the summation rule for the wavenumber is not satisfied, even though the bicoherence value is significant. The bicoherence value and relative amplitude of higher harmonics correlate with each other, which suggests that bicoherence indicates the degree of distortion of the signals. (author)

  9. Parameter Optimization for Selected Correlation Analysis of Intracranial Pathophysiology

    Directory of Open Access Journals (Sweden)

    Rupert Faltermeier

    2015-01-01

    Full Text Available Recently we proposed a mathematical tool set, called selected correlation analysis, that reliably detects positive and negative correlations between arterial blood pressure (ABP and intracranial pressure (ICP. Such correlations are associated with severe impairment of the cerebral autoregulation and intracranial compliance, as predicted by a mathematical model. The time resolved selected correlation analysis is based on a windowing technique combined with Fourier-based coherence calculations and therefore depends on several parameters. For real time application of this method at an ICU it is inevitable to adjust this mathematical tool for high sensitivity and distinct reliability. In this study, we will introduce a method to optimize the parameters of the selected correlation analysis by correlating an index, called selected correlation positive (SCP, with the outcome of the patients represented by the Glasgow Outcome Scale (GOS. For that purpose, the data of twenty-five patients were used to calculate the SCP value for each patient and multitude of feasible parameter sets of the selected correlation analysis. It could be shown that an optimized set of parameters is able to improve the sensitivity of the method by a factor greater than four in comparison to our first analyses.

  10. Nonlinear canonical correlation analysis with k sets of variables

    NARCIS (Netherlands)

    van der Burg, Eeke; de Leeuw, Jan

    1987-01-01

    The multivariate technique OVERALS is introduced as a non-linear generalization of canonical correlation analysis (CCA). First, two sets CCA is introduced. Two sets CCA is a technique that computes linear combinations of sets of variables that correlate in an optimal way. Two sets CCA is then

  11. Ten Years Trend Analysis of Malaria Prevalence and its Correlation ...

    African Journals Online (AJOL)

    The data were analyzed using SPSS software package 16.0. Pearson's correlation analysis was conducted to see the correlation between plasmodium species and climatic variables. Within the last decade (2004–2013) a total of 30,070 blood films were examined for malaria in Sire health center and of this 6036 (20.07%) ...

  12. Parameter Optimization for Selected Correlation Analysis of Intracranial Pathophysiology.

    Science.gov (United States)

    Faltermeier, Rupert; Proescholdt, Martin A; Bele, Sylvia; Brawanski, Alexander

    2015-01-01

    Recently we proposed a mathematical tool set, called selected correlation analysis, that reliably detects positive and negative correlations between arterial blood pressure (ABP) and intracranial pressure (ICP). Such correlations are associated with severe impairment of the cerebral autoregulation and intracranial compliance, as predicted by a mathematical model. The time resolved selected correlation analysis is based on a windowing technique combined with Fourier-based coherence calculations and therefore depends on several parameters. For real time application of this method at an ICU it is inevitable to adjust this mathematical tool for high sensitivity and distinct reliability. In this study, we will introduce a method to optimize the parameters of the selected correlation analysis by correlating an index, called selected correlation positive (SCP), with the outcome of the patients represented by the Glasgow Outcome Scale (GOS). For that purpose, the data of twenty-five patients were used to calculate the SCP value for each patient and multitude of feasible parameter sets of the selected correlation analysis. It could be shown that an optimized set of parameters is able to improve the sensitivity of the method by a factor greater than four in comparison to our first analyses.

  13. Scanning angle Raman spectroscopy: Investigation of Raman scatter enhancement techniques for chemical analysis

    Energy Technology Data Exchange (ETDEWEB)

    Meyer, Matthew W. [Iowa State Univ., Ames, IA (United States)

    2013-01-01

    This thesis outlines advancements in Raman scatter enhancement techniques by applying evanescent fields, standing-waves (waveguides) and surface enhancements to increase the generated mean square electric field, which is directly related to the intensity of Raman scattering. These techniques are accomplished by employing scanning angle Raman spectroscopy and surface enhanced Raman spectroscopy. A 1064 nm multichannel Raman spectrometer is discussed for chemical analysis of lignin. Extending dispersive multichannel Raman spectroscopy to 1064 nm reduces the fluorescence interference that can mask the weaker Raman scattering. Overall, these techniques help address the major obstacles in Raman spectroscopy for chemical analysis, which include the inherently weak Raman cross section and susceptibility to fluorescence interference.

  14. Analytic uncertainty and sensitivity analysis of models with input correlations

    Science.gov (United States)

    Zhu, Yueying; Wang, Qiuping A.; Li, Wei; Cai, Xu

    2018-03-01

    Probabilistic uncertainty analysis is a common means of evaluating mathematical models. In mathematical modeling, the uncertainty in input variables is specified through distribution laws. Its contribution to the uncertainty in model response is usually analyzed by assuming that input variables are independent of each other. However, correlated parameters are often happened in practical applications. In the present paper, an analytic method is built for the uncertainty and sensitivity analysis of models in the presence of input correlations. With the method, it is straightforward to identify the importance of the independence and correlations of input variables in determining the model response. This allows one to decide whether or not the input correlations should be considered in practice. Numerical examples suggest the effectiveness and validation of our analytic method in the analysis of general models. A practical application of the method is also proposed to the uncertainty and sensitivity analysis of a deterministic HIV model.

  15. GIS and correlation analysis of geo-environmental variables ...

    African Journals Online (AJOL)

    Key words: Correlation, GIS, malaria geography, malaria incidence ... problems, as it has created the possibility for geocoding, extracting and spatial analysis of health ...... Bulletin of the World Health Organization, 78(12), 1438–1444. Carter ...

  16. Vibrational correlation between conjugated carbonyl and diazo modes studied by single- and dual-frequency two-dimensional infrared spectroscopy

    International Nuclear Information System (INIS)

    Maekawa, Hiroaki; Sul, Soohwan; Ge, Nien-Hui

    2013-01-01

    Highlights: ► Vibrational dynamics of conjugated C=O and N=N modes of ethyl diazoacetate was studied. ► Their frequency–frequency correlation functions are different. ► The dual-frequency 2D IR spectrum indicates anticorrelated frequency fluctuations. ► Correlation effects on dual-frequency 2D IR spectra are discussed. ► The existence of cis and trans conformers is revealed in 2D IR spectra. - Abstract: We have applied infrared three-pulse photon echo and single- and dual-frequency 2D IR spectroscopy to the ester C=O and diazo N=N stretching modes in ethyl diazoacetate (EDA), and investigated their vibrational frequency fluctuations and correlation. The two modes exhibit different vibrational dynamics and 2D lineshape, which are well simulated by frequency–frequency correlation functions (FFCFs) with two decaying components. Although the FT IR spectrum shows a single C=O band, absolute magnitude 2D IR nonrephasing spectrum displays spectral signatures supporting the presence of cis and trans conformations. The cross-peak inclined toward the anti-diagonal in the dual-frequency 2D IR spectrum, indicating that the frequency fluctuations of the two modes are anticorrelated. This behavior is attributed to anticorrelated change in the bond orders when solvent and structural fluctuations causes EDA to adopt a different mixture of the two dominant resonance structures. The effects of cross FFCF on the cross-peak line shape are discussed

  17. Vibrational correlation between conjugated carbonyl and diazo modes studied by single- and dual-frequency two-dimensional infrared spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Maekawa, Hiroaki; Sul, Soohwan [Department of Chemistry, University of California at Irvine, Irvine, CA 92697-2025 (United States); Ge, Nien-Hui, E-mail: nhge@uci.edu [Department of Chemistry, University of California at Irvine, Irvine, CA 92697-2025 (United States)

    2013-08-30

    Highlights: ► Vibrational dynamics of conjugated C=O and N=N modes of ethyl diazoacetate was studied. ► Their frequency–frequency correlation functions are different. ► The dual-frequency 2D IR spectrum indicates anticorrelated frequency fluctuations. ► Correlation effects on dual-frequency 2D IR spectra are discussed. ► The existence of cis and trans conformers is revealed in 2D IR spectra. - Abstract: We have applied infrared three-pulse photon echo and single- and dual-frequency 2D IR spectroscopy to the ester C=O and diazo N=N stretching modes in ethyl diazoacetate (EDA), and investigated their vibrational frequency fluctuations and correlation. The two modes exhibit different vibrational dynamics and 2D lineshape, which are well simulated by frequency–frequency correlation functions (FFCFs) with two decaying components. Although the FT IR spectrum shows a single C=O band, absolute magnitude 2D IR nonrephasing spectrum displays spectral signatures supporting the presence of cis and trans conformations. The cross-peak inclined toward the anti-diagonal in the dual-frequency 2D IR spectrum, indicating that the frequency fluctuations of the two modes are anticorrelated. This behavior is attributed to anticorrelated change in the bond orders when solvent and structural fluctuations causes EDA to adopt a different mixture of the two dominant resonance structures. The effects of cross FFCF on the cross-peak line shape are discussed.

  18. Hepatocarcinogenesis tumor grading correlated with in vivo image-guided 1H-NMR spectroscopy in a rat model

    International Nuclear Information System (INIS)

    Towner, Rheal A.; Foley, Lesley M.; Painter, Dorothy M.

    2005-01-01

    Hepatocellular carcinoma (HCC) is a common malignancy worldwide, the occurrence of which is unevenly distributed. Most hepatocellular carcinoma cases present late and have a poor prognosis; therefore, early diagnosis is essential to prolong survival. Differential diagnosis with magnetic resonance imaging (MRI) is difficult. We studied the feasibility of using magnetic resonance spectroscopy (MRS) at 7.0 T for the diagnosis and grading of liver tumors. An animal model of hepatocarcinogenesis was used, which allowed tumor progression from precancerous lesions to hepatocellular carcinomas. This study was focused primarily on the grading of the tumors and its correlation with the ratio between the MRS peaks arising from MRS-detected lipid hydrogens (0.9, 1.3 and 5.3 ppm) and compared to the γ-methylene hydrogens of glutamate (Glu) and glutamine (Gln) which was used as an internal reference (2.4 ppm). The lipid methylene hydrogen (1.3 ppm) to (Glu + Gln) ratio was found to correlate with the formation of differentiated small foci and (precancerous) hepatic nodules, whereas the unsaturated olefinic lipid hydrogen (5.3 ppm) to (Glu + Gln) ratio was able to correlate with the formation of late stage tumors such as adenomas and hepatocellular carcinomas. The results of our study suggest that MRS-detected alterations in lipid metabolism can be correlated with the grading of liver tumor tissue at different stages during the carcinogenesis process

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

    Directory of Open Access Journals (Sweden)

    Javis Anyangwe Nwaboh

    2011-01-01

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

  20. Multiscale Detrended Cross-Correlation Analysis of STOCK Markets

    Science.gov (United States)

    Yin, Yi; Shang, Pengjian

    2014-06-01

    In this paper, we employ the detrended cross-correlation analysis (DCCA) to investigate the cross-correlations between different stock markets. We report the results of cross-correlated behaviors in US, Chinese and European stock markets in period 1997-2012 by using DCCA method. The DCCA shows the cross-correlated behaviors of intra-regional and inter-regional stock markets in the short and long term which display the similarities and differences of cross-correlated behaviors simply and roughly and the persistence of cross-correlated behaviors of fluctuations. Then, because of the limitation and inapplicability of DCCA method, we propose multiscale detrended cross-correlation analysis (MSDCCA) method to avoid "a priori" selecting the ranges of scales over which two coefficients of the classical DCCA method are identified, and employ MSDCCA to reanalyze these cross-correlations to exhibit some important details such as the existence and position of minimum, maximum and bimodal distribution which are lost if the scale structure is described by two coefficients only and essential differences and similarities in the scale structures of cross-correlation of intra-regional and inter-regional markets. More statistical characteristics of cross-correlation obtained by MSDCCA method help us to understand how two different stock markets influence each other and to analyze the influence from thus two inter-regional markets on the cross-correlation in detail, thus we get a richer and more detailed knowledge of the complex evolutions of dynamics of the cross-correlations between stock markets. The application of MSDCCA is important to promote our understanding of the internal mechanisms and structures of financial markets and helps to forecast the stock indices based on our current results demonstrated the cross-correlations between stock indices. We also discuss the MSDCCA methods of secant rolling window with different sizes and, lastly, provide some relevant implications and

  1. Correlations of the chemical shift on fasly rotating biological solids by means of NMR spectroscopy

    International Nuclear Information System (INIS)

    Herbst, Christian

    2010-01-01

    The basic aim of the thesis was the development and improvement of homo- and heteronuclear feedback sequences for the generation of correlation spectra of the chemical shift. In a first step the possibility of the acquisition of 13 C- 13 correlation spectra of the chemical shift by means of inversion pulses with low RF power factor was studied. Furthermore it was shown that broad-band phase-modulated inversion and universal rotational pulses can be constructed by means of global optimization procedures like the genetic algorithms under regardment of the available RF field strength. By inversion, universal rotational, and 360 pulses as starting values of the optimization efficient homonuclear CN n ν and RN n ν mixing sequences as well as heteronuclear RN n ν s ,ν k feedback sequences were generated. The satisfactory power of the numerically optimized sequences was shown by means of the simulation as well by means of correlation experiments of the chemical shift of L-histidine, L-arginine, and the (CUG) 97 -RNA. This thesis deals furthermore with the possibility to acquire simultaneously different signals with several receivers. By means of numerically optimized RN n ν s ,ν k pulse sequences both 15 N- 13 C and 13 C- 15 N correlation spectra were simultaneously generated. Furthermore it could be shown that the simultaneous acquisition of 3D- 15 N- 13 C- 13 C and 13 C- 15 N-( 1 H)- 1 H correlation spectra is possible. By this in only one measurement process resonance assignments can be met and studies of the global folding performed. A further application of several receivers is the simultaneous acquisition of CHHC, NHHN, NHHC, as well as CHHN spectra. By such experiments it is possible to characterize the hydrogen-bonding pattern and the glycosidic torsion angle χ in RNA. This was demonstrated by means of the (CUG) 97 -RNA. The simultaneous acquisition of all relevant crossing signals of the correlation spectra leads not only to an essential time saving, but

  2. Meta-Analysis of Correlations Among Usability Measures

    DEFF Research Database (Denmark)

    Hornbæk, Kasper Anders Søren; Effie Lai Chong, Law

    2007-01-01

    are generally low: effectiveness measures (e.g., errors) and efficiency measures (e.g., time) has a correlation of .247 ± .059 (Pearson's product-moment correlation with 95% confidence interval), efficiency and satisfaction (e.g., preference) one of .196 ± .064, and effectiveness and satisfaction one of .164......Understanding the relation between usability measures seems crucial to deepen our conception of usability and to select the right measures for usability studies. We present a meta-analysis of correlations among usability measures calculated from the raw data of 73 studies. Correlations...... ± .062. Changes in task complexity do not influence these correlations, but use of more complex measures attenuates them. Standard questionnaires for measuring satisfaction appear more reliable than homegrown ones. Measures of users' perceptions of phenomena are generally not correlated with objective...

  3. NMR spectroscopy, Hammett correlations and biological activity of some Schiff bases derived from piperonal

    International Nuclear Information System (INIS)

    Echevarria, Aurea; Giesbrecht, Astrea

    1999-01-01

    A series of eleven Schiff Bases have been synthesized. They were obtained by condensation of piperonal (3,4-methylenedioxybenzaldehyde) with the corresponding aromatic primary amines. Their 1 H and 13 C-NMR spectra have been obtained and the Hammett correlations including chemical shifts and the substituent constants (σ p , σR e σI) were studied. Linear and bilinear significant correlations were observed for iminic carbon (C-α) and C-1 ' , showing a more significant resonance effect on chemical shifts. The chemical shifts for C-4 ' were highly affected by substituent effects, especially for halogens in the expected direction. Their biological activity against microorganisms has also been measured and significant activity was showed against Epidermophyton floccosum. The biological activity did not give a reasonable relationship with electronic effects. (author)

  4. Decorin Content and Near Infrared Spectroscopy Analysis of Dried Collagenous Biomaterial Samples

    Directory of Open Access Journals (Sweden)

    Suzanne Schreyer

    2012-12-01

    Full Text Available The efficient removal of proteoglycans, such as decorin, from the hide when processing it to leather by traditional means is generally acceptable and beneficial for leather quality, especially for softness and flexibility. A patented waterless or acetone dehydration method that can generate a product similar to leather called Dried Collagenous Biomaterial (known as BCD was developed but has no effect on decorin removal efficiency. The Alcian Blue colorimetric technique was used to assay the sulfated glycosaminoglycan (sGAG portion of decorin. The corresponding residual decorin content was correlated to the mechanical properties of the BCD samples and was comparable to the control leather made traditionally. The waterless dehydration and instantaneous chrome tanning process is a good eco-friendly alternative to transforming hides to leather because no additional effects were observed after examination using NIR spectroscopy and additional chemometric analysis.

  5. Decorin content and near infrared spectroscopy analysis of dried collagenous biomaterial samples.

    Science.gov (United States)

    Aldema-Ramos, Mila L; Castell, Joan Carles; Muir, Zerlina E; Adzet, Jose Maria; Sabe, Rosa; Schreyer, Suzanne

    2012-12-14

    The efficient removal of proteoglycans, such as decorin, from the hide when processing it to leather by traditional means is generally acceptable and beneficial for leather quality, especially for softness and flexibility. A patented waterless or acetone dehydration method that can generate a product similar to leather called Dried Collagenous Biomaterial (known as BCD) was developed but has no effect on decorin removal efficiency. The Alcian Blue colorimetric technique was used to assay the sulfated glycosaminoglycan (sGAG) portion of decorin. The corresponding residual decorin content was correlated to the mechanical properties of the BCD samples and was comparable to the control leather made traditionally. The waterless dehydration and instantaneous chrome tanning process is a good eco-friendly alternative to transforming hides to leather because no additional effects were observed after examination using NIR spectroscopy and additional chemometric analysis.

  6. High-Speed Linear Raman Spectroscopy for Instability Analysis of a Bluff Body Flame

    Science.gov (United States)

    Kojima, Jun; Fischer, David

    2013-01-01

    We report a high-speed laser diagnostics technique based on point-wise linear Raman spectroscopy for measuring the frequency content of a CH4-air premixed flame stabilized behind a circular bluff body. The technique, which primarily employs a Nd:YLF pulsed laser and a fast image-intensified CCD camera, successfully measures the time evolution of scalar parameters (N2, O2, CH4, and H2O) in the vortex-induced flame instability at a data rate of 1 kHz. Oscillation of the V-shaped flame front is quantified through frequency analysis of the combustion species data and their correlations. This technique promises to be a useful diagnostics tool for combustion instability studies.

  7. Decorin Content and Near Infrared Spectroscopy Analysis of Dried Collagenous Biomaterial Samples

    Science.gov (United States)

    Aldema-Ramos, Mila L.; Castell, Joan Carles; Muir, Zerlina E.; Adzet, Jose Maria; Sabe, Rosa; Schreyer, Suzanne

    2012-01-01

    The efficient removal of proteoglycans, such as decorin, from the hide when processing it to leather by traditional means is generally acceptable and beneficial for leather quality, especially for softness and flexibility. A patented waterless or acetone dehydration method that can generate a product similar to leather called Dried Collagenous Biomaterial (known as BCD) was developed but has no effect on decorin removal efficiency. The Alcian Blue colorimetric technique was used to assay the sulfated glycosaminoglycan (sGAG) portion of decorin. The corresponding residual decorin content was correlated to the mechanical properties of the BCD samples and was comparable to the control leather made traditionally. The waterless dehydration and instantaneous chrome tanning process is a good eco-friendly alternative to transforming hides to leather because no additional effects were observed after examination using NIR spectroscopy and additional chemometric analysis. PMID:24970152

  8. Multivariate statistical process control (MSPC) using Raman spectroscopy for in-line culture cell monitoring considering time-varying batches synchronized with correlation optimized warping (COW).

    Science.gov (United States)

    Liu, Ya-Juan; André, Silvère; Saint Cristau, Lydia; Lagresle, Sylvain; Hannas, Zahia; Calvosa, Éric; Devos, Olivier; Duponchel, Ludovic

    2017-02-01

    Multivariate statistical process control (MSPC) is increasingly popular as the challenge provided by large multivariate datasets from analytical instruments such as Raman spectroscopy for the monitoring of complex cell cultures in the biopharmaceutical industry. However, Raman spectroscopy for in-line monitoring often produces unsynchronized data sets, resulting in time-varying batches. Moreover, unsynchronized data sets are common for cell culture monitoring because spectroscopic measurements are generally recorded in an alternate way, with more than one optical probe parallelly connecting to the same spectrometer. Synchronized batches are prerequisite for the application of multivariate analysis such as multi-way principal component analysis (MPCA) for the MSPC monitoring. Correlation optimized warping (COW) is a popular method for data alignment with satisfactory performance; however, it has never been applied to synchronize acquisition time of spectroscopic datasets in MSPC application before. In this paper we propose, for the first time, to use the method of COW to synchronize batches with varying durations analyzed with Raman spectroscopy. In a second step, we developed MPCA models at different time intervals based on the normal operation condition (NOC) batches synchronized by COW. New batches are finally projected considering the corresponding MPCA model. We monitored the evolution of the batches using two multivariate control charts based on Hotelling's T 2 and Q. As illustrated with results, the MSPC model was able to identify abnormal operation condition including contaminated batches which is of prime importance in cell culture monitoring We proved that Raman-based MSPC monitoring can be used to diagnose batches deviating from the normal condition, with higher efficacy than traditional diagnosis, which would save time and money in the biopharmaceutical industry. Copyright © 2016 Elsevier B.V. All rights reserved.

  9. [Electroencephalogram Feature Selection Based on Correlation Coefficient Analysis].

    Science.gov (United States)

    Zhou, Jinzhi; Tang, Xiaofang

    2015-08-01

    In order to improve the accuracy of classification with small amount of motor imagery training data on the development of brain-computer interface (BCD systems, we proposed an analyzing method to automatically select the characteristic parameters based on correlation coefficient analysis. Throughout the five sample data of dataset IV a from 2005 BCI Competition, we utilized short-time Fourier transform (STFT) and correlation coefficient calculation to reduce the number of primitive electroencephalogram dimension, then introduced feature extraction based on common spatial pattern (CSP) and classified by linear discriminant analysis (LDA). Simulation results showed that the average rate of classification accuracy could be improved by using correlation coefficient feature selection method than those without using this algorithm. Comparing with support vector machine (SVM) optimization features algorithm, the correlation coefficient analysis can lead better selection parameters to improve the accuracy of classification.

  10. Gender Differences in Musculoskeletal Lipid Metabolism as Assessed by Localized Two-Dimensional Correlation Spectroscopy

    Directory of Open Access Journals (Sweden)

    S. Sendhil Velan; Department of Exercise Physiology, West Virginia University School of Medicine, Morgantown, West Virginia, U.S.A.

    2008-01-01

    Full Text Available Gender differences in lipid metabolism are poorly understood and difficult to study using conventional approaches. Magnetic resonance spectroscopy (MRS permits non-invasive investigation of lipid metabolism. We employed novel two- dimensional MRS techniques to quantify intramyocellular (IMCL and extramyocellular (EMCL lipid compartments and their degree of unsaturation in normal weight adult male and female subjects. Using muscle creatine (Cr for normalization, a statistically significant (p 0.05 increase in IMCL/Cr (7.8 ± 1.6 and EMCL/Cr (22.5 ± 3.6 for female subjects was observed (n = 8, as compared to IMCL/Cr (5.9 ± 1.7 and EMCL/Cr (18.4 ± 2.64 for male subjects. The degree of unsaturation within IMCL and EMCL was lower in female subjects, 1.3 ± 0.075 and 1.04 ± 0.06, respectively, as compared to that observed in males (n = 8, 1.5 ± 0.08 and 1.12 ± 0.03, respectively (p 0.05 male vs female for both comparisons. We conclude that certain salient gender differences in lipid metabolism can be assessed noninvasively by advanced MRS approaches.

  11. High-spin spectroscopy of {sup 168}Yb and the reduction of pairing correlations

    Energy Technology Data Exchange (ETDEWEB)

    Oliveira, J R.B. [Sao Paulo Univ., SP (Brazil); Stephens, F S; Deleplanque, M A; Diamond, R M [Lawrence Berkeley Lab., CA (United States); Draper, J E; Rubel, E; Duyar, C [California Univ., Davis, CA (United States); Beacker, J A; Henry, E A; Roy, N [Lawrence Livermore National Lab., CA (United States); Beausang, C W [Liverpool Univ. (United Kingdom); Frauendorf, S [Institut fur Kern und Hadronen Physik, F2-Rossendorf, Dresden (Germany)

    1992-08-01

    The high spin states of {sup 168}Yb were investigated by means of in-beam gamma spectroscopy with the High Energy Resolution Array at the 88 in. cyclotron of the Lawrence Berkeley Laboratory. The {sup 168}Yb nucleus was produced in the reaction {sup 48}Ca({sup 124}Sn,4n) at 210 MeV. Five bands previously reported were confirmed; additionally, four other bands, two extending to spins as high as 36 {Dirac_h} were observed. Cranked shell models suggest that one of the new bands can be interpreted as the continuation of the ground state band (above the AB crossing frequency) crossing into the four-quasiparticle band ABCD at about 0.38 MeV. Both relative alignment and Routhians are in good agreement with the experimental values. However, these calculations were done at constant pairing strength, which is not expected to be good at high rotational frequencies where one or more crossings have occurred in each band. Particle-hole calculations (with no pairing) were done for {sup 168}Yb as well as for other N {approx_equal} 98 nuclei for which good experimental data are available. In most cases, it is possible to associate a particle-hole configuration for each band observed at very high rotational frequencies, and the overall description is good. At frequencies below the first crossing, a full pairing calculation is necessary to describe the bands properly. At intermediate frequencies, the pairing strength is believed to be intermediate. 3 figs.

  12. Ultrafast optical pump terahertz-probe spectroscopy of strongly correlated electron materials

    International Nuclear Information System (INIS)

    Averitt, R.D.; Taylor, Antoinette J.; Thorsmolle, V.K.; Jia, Quanxi; Lobad, A.I.; Trugman, S.A.

    2001-01-01

    We have used optical-pump far-infrared probe spectroscopy to probe the low energy electron dynamics of high temperature superconductors and colossal magnetoresistance manganites. For the superconductor YBa2Cu3O7, picosecond conductivity measurements probe the interplay between Cooper-pairs and quasiparticles. In optimally doped films, the recovery time for long-range phase-coherent pairing increases from ∼1.5 ps at 4K to ∼3.5 ps near Tc, consistent with the closing of the superconducting gap. For underdoped films, the measured recovery time is temperature independent (3.5 ps) in accordance with the presence of a pseudogap. Ultrafast picosecond measurements of optically induced changes in the absolute conductivity of La0:7M0:3MnO3 thin films (M = Ca, Sr) from 10K to ∼0.9Tc reveal a two-component relaxation. A fast, ∼2 ps, conductivity decrease arises from optically induced modification of the effective phonon temperature. The slower component, related to spin-lattice relaxation, has a lifetime that increases upon approaching Tc from below in accordance with an increasing spin specific heat. Our results indicate that for T<< Tc, the conductivity is determined by incoherent phonons while spin fluctuations dominate near Tc.

  13. Gender Differences in Musculoskeletal Lipid Metabolism as Assessed by Localized Two-Dimensional Correlation Spectroscopy

    Directory of Open Access Journals (Sweden)

    S. Sendhil Velan

    2008-01-01

    Full Text Available Gender differences in lipid metabolism are poorly understood and difficult to study using conventional approaches. Magnetic resonance spectroscopy (MRS permits non-invasive investigation of lipid metabolism. We employed novel two-dimensional MRS techniques to quantify intramyocellular (IMCL and extramyocellular (EMCL lipid compartments and their degree of unsaturation in normal weight adult male and female subjects. Using muscle creatine (Cr for normalization a statistically significant (p < 0.05 increase in IMCL/Cr (7.8 ± 1.6 and EMCL/Cr (22.5 ± 3.6 for female subjects was observed (n = 8, as compared to IMCL/Cr (5.9 ± 1.7 and EMCL/Cr (18.4 ± 2.64 for male subjects. The degree of unsaturation within IMCL and EMCL was lower in female subjects, 1.3 ± 0.075 and 1.04 ± 0.06, respectively, as compared to that observed in males (n = 8, 1.5 ± 0.08 and 1.12 ± 0.03, respectively (p < 0.05 male vs female for both comparisons. We conclude that certain salient gender differences in lipid metabolism can be assessed noninvasively by advanced MRS approaches.

  14. WGCNA: an R package for weighted correlation network analysis.

    Science.gov (United States)

    Langfelder, Peter; Horvath, Steve

    2008-12-29

    Correlation networks are increasingly being used in bioinformatics applications. For example, weighted gene co-expression network analysis is a systems biology method for describing the correlation patterns among genes across microarray samples. Weighted correlation network analysis (WGCNA) can be used for finding clusters (modules) of highly correlated genes, for summarizing such clusters using the module eigengene or an intramodular hub gene, for relating modules to one another and to external sample traits (using eigengene network methodology), and for calculating module membership measures. Correlation networks facilitate network based gene screening methods that can be used to identify candidate biomarkers or therapeutic targets. These methods have been successfully applied in various biological contexts, e.g. cancer, mouse genetics, yeast genetics, and analysis of brain imaging data. While parts of the correlation network methodology have been described in separate publications, there is a need to provide a user-friendly, comprehensive, and consistent software implementation and an accompanying tutorial. The WGCNA R software package is a comprehensive collection of R functions for performing various aspects of weighted correlation network analysis. The package includes functions for network construction, module detection, gene selection, calculations of topological properties, data simulation, visualization, and interfacing with external software. Along with the R package we also present R software tutorials. While the methods development was motivated by gene expression data, the underlying data mining approach can be applied to a variety of different settings. The WGCNA package provides R functions for weighted correlation network analysis, e.g. co-expression network analysis of gene expression data. The R package along with its source code and additional material are freely available at http://www.genetics.ucla.edu/labs/horvath/CoexpressionNetwork/Rpackages/WGCNA.

  15. Correlation analysis of respiratory signals by using parallel coordinate plots.

    Science.gov (United States)

    Saatci, Esra

    2018-01-01

    The understanding of the bonds and the relationships between the respiratory signals, i.e. the airflow, the mouth pressure, the relative temperature and the relative humidity during breathing may provide the improvement on the measurement methods of respiratory mechanics and sensor designs or the exploration of the several possible applications in the analysis of respiratory disorders. Therefore, the main objective of this study was to propose a new combination of methods in order to determine the relationship between respiratory signals as a multidimensional data. In order to reveal the coupling between the processes two very different methods were used: the well-known statistical correlation analysis (i.e. Pearson's correlation and cross-correlation coefficient) and parallel coordinate plots (PCPs). Curve bundling with the number intersections for the correlation analysis, Least Mean Square Time Delay Estimator (LMS-TDE) for the point delay detection and visual metrics for the recognition of the visual structures were proposed and utilized in PCP. The number of intersections was increased when the correlation coefficient changed from high positive to high negative correlation between the respiratory signals, especially if whole breath was processed. LMS-TDE coefficients plotted in PCP indicated well-matched point delay results to the findings in the correlation analysis. Visual inspection of PCB by visual metrics showed range, dispersions, entropy comparisons and linear and sinusoidal-like relationships between the respiratory signals. It is demonstrated that the basic correlation analysis together with the parallel coordinate plots perceptually motivates the visual metrics in the display and thus can be considered as an aid to the user analysis by providing meaningful views of the data. Copyright © 2017 Elsevier B.V. All rights reserved.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-03-15

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

  17. Evaluation of ionizing radiation effects in bone tissue by FTIR spectroscopy and dynamic mechanical analysis

    International Nuclear Information System (INIS)

    Veloso, Marcelo N.; Santin, Stefany P.; Benetti, Carolina; Pereira, Thiago M.; Mattor, Monica B.; Politano, Rodolfo; Zezell, Denise M.

    2013-01-01

    In many medical practices the bone tissue exposure to ionizing radiation is necessary. However, this radiation can interact with bone tissue in a molecular level, causing chemical and mechanical changes related with the dose used. The aim of this study was verify the changes promoted by different doses of ionizing radiation in bone tissue using spectroscopy technique of Attenuate Total Reflectance - Fourier Transforms Infrared (ATR-FTIR) and dynamic mechanical analysis. Samples of bovine bone were irradiated using irradiator of Cobalt-60 with five different doses between 0.01 kGy, 0.1 kGy,1 kGy, 15 kGy and 75 kGy. To study the effects of ionizing irradiation on bone chemical structure the sub-bands of amide I and the crystallinity index were studied. The mechanical changes were evaluated using the elastic modulus and the damping value. To verify if the chemical changes and the bone mechanic characteristics were related, it was made one study about the correlation between the crystallinity index and the elastic modulus, between the sub-bands ratio and the damping value and between the sub-bands ratio and the elastic modulus. It was possible to evaluate the effects of different dose of ionizing radiation in bone tissue. With ATR-FTIR spectroscopy analysis, it was possible observe changes in the organic components and in the hydroxyapatite crystals organization. Changes were also observed in the mechanical properties. A good correlation between the techniques was found, however, it was not possible to establish a linear or exponential dependence between dose and effect. (author)

  18. [Pattern recognition of decorative papers with different visual characteristics using visible spectroscopy coupled with principal component analysis (PCA)].

    Science.gov (United States)

    Zhang, Mao-mao; Yang, Zhong; Lu, Bin; Liu, Ya-na; Sun, Xue-dong

    2015-02-01

    As one of the most important decorative materials for the modern household products, decorative papers impregnated with melamine not only have better decorative performance, but also could greatly improve the surface properties of materials. However, the appearance quality (such as color-difference evaluation and control) of decorative papers, as an important index for the surface quality of decorative paper, has been a puzzle for manufacturers and consumers. Nowadays, human eye is used to discriminate whether there exist color difference in the factory, which is not only of low efficiency but also prone to bring subjective error. Thus, it is of great significance to find an effective method in order to realize the fast recognition and classification of the decorative papers. In the present study, the visible spectroscopy coupled with principal component analysis (PCA) was used for the pattern recognition of decorative papers with different visual characteristics to investigate the feasibility of visible spectroscopy to rapidly recognize the types of decorative papers. The results showed that the correlation between visible spectroscopy and visual characteristics (L*, a* and b*) was significant, and the correlation coefficients wereup to 0.85 and some was even more than 0. 99, which might suggest that the visible spectroscopy reflected some information about visual characteristics on the surface of decorative papers. When using the visible spectroscopy coupled with PCA to recognize the types of decorative papers, the accuracy reached 94%-100%, which might suggest that the visible spectroscopy was a very potential new method for the rapid, objective and accurate recognition of decorative papers with different visual characteristics.

  19. Raman micro-spectroscopy analysis of different sperm regions: a species comparison.

    Science.gov (United States)

    Amaral, S; Da Costa, R; Wübbeling, F; Redmann, K; Schlatt, S

    2018-04-01

    Is Raman micro-spectroscopy a valid approach to assess the biochemical hallmarks of sperm regions (head, midpiece and tail) in four different species? Non-invasive Raman micro-spectroscopy provides spectral patterns enabling the biochemical characterization of the three sperm regions in the four species, revealing however high similarities for each region among species. Raman micro-spectroscopy has been described as an innovative method to assess sperm features having the potential to be used as a non-invasive selection tool. However, except for nuclear DNA, the identification and assignment of spectral bands in Raman-profiles to the different sperm regions is scarce and controversial. Raman spectra from head, midpiece and tail of four different species were obtained. Sperm samples were collected and smeared on microscope slides. Air dried samples were subjected to Raman analysis using previously standardized procedures. Sperm samples from (i) two donors attending the infertility clinic at the Centre of Reproductive Medicine and Andrology; (ii) two C57BL/6 -TgN (ACTbEGFP) 1Osb adult mice; (iii) two adult Cynomolgus monkeys (Macaca fascicularis) and (iv) two sea urchins (Arbacia punctulata) were used to characterize and compare their spectral profiles. Differences and similarities were confirmed by principal component analysis (PCA). Several novel region-specific peaks were identified. The three regions could be differentiated by distinctive Raman patterns irrespective of the species. However, regardless of the specie, their main spectral pattern remains mostly unchanged. These results were corroborated by the PCA analysis and suggest that the basic constituents of spermatozoa are biochemically similar among species. Further research should be performed in live sperm to validate the detected spectral bands and their use as markers of distinctive regions. Raman peaks that have never been described in the sperm cell were detected. Particularly important are those that

  20. Investigation of electric quadrupole interaction in TiO2 by means of perturbed gamma-gamma angular correlation spectroscopy

    International Nuclear Information System (INIS)

    Martucci, Thiago; Ramos, Juliana Marques; Carbonari, Artur Wilson; Silva, Andreia S.; Saxena, Rajendra Narain

    2011-01-01

    TiO 2 has called attention in both basic research and technological applications as an energy converter in solar cells, photo catalyst for water purification, sunscreen material, drug detection, and other applications. In addition TiO 2 is a candidate for use in medical devices, food preparation surfaces, air conditioning filters and sanitary ware surfaces.TiO 2 has two crystalline phases: anatase and rutile. The structural properties and hyperfine interactions in TiO 2 were investigated by perturbed gamma-gamma angular correlation (PAC) spectroscopy using 111 In and 181 Hf as probe nuclei. The PAC spectroscopy provides information on crystalline and electronic structure at an atomic scale. In the present work, PAC measurements on TiO 2 were focused on the development of a methodology to prepare bulk samples, which have been characterized by conventional techniques such as x-ray diffraction, (XRD), scanning electron microscopy (SEM) and Energy Dispersive Spectroscopy (EDS). The samples were prepared by the sol gel Pechini method. The resulting powders were annealed at different temperatures in a tubular furnace under nitrogen atmosphere. The PAC measurements were carried out at room temperature in air. The occupation fraction of the probe nuclei reached 50% when the sample was annealed at 1373K and after measured at room temperature.In this case the frequency measured in site 1 is in agreement with that found in literature for substitutional titanium site in rutile structure when 111 In were used as probe nuclei. It was measured a frequency more closely to that was found in literature[7] for the case in which 181 Hf were used as probe nuclei when the sample annealed at 1373 K and measured at 973 K. (author)

  1. Real-time autocorrelator for fluorescence correlation spectroscopy based on graphical-processor-unit architecture: method, implementation, and comparative studies

    Science.gov (United States)

    Laracuente, Nicholas; Grossman, Carl

    2013-03-01

    We developed an algorithm and software to calculate autocorrelation functions from real-time photon-counting data using the fast, parallel capabilities of graphical processor units (GPUs). Recent developments in hardware and software have allowed for general purpose computing with inexpensive GPU hardware. These devices are more suited for emulating hardware autocorrelators than traditional CPU-based software applications by emphasizing parallel throughput over sequential speed. Incoming data are binned in a standard multi-tau scheme with configurable points-per-bin size and are mapped into a GPU memory pattern to reduce time-expensive memory access. Applications include dynamic light scattering (DLS) and fluorescence correlation spectroscopy (FCS) experiments. We ran the software on a 64-core graphics pci card in a 3.2 GHz Intel i5 CPU based computer running Linux. FCS measurements were made on Alexa-546 and Texas Red dyes in a standard buffer (PBS). Software correlations were compared to hardware correlator measurements on the same signals. Supported by HHMI and Swarthmore College

  2. Quantifying NMR relaxation correlation and exchange in articular cartilage with time domain analysis

    Science.gov (United States)

    Mailhiot, Sarah E.; Zong, Fangrong; Maneval, James E.; June, Ronald K.; Galvosas, Petrik; Seymour, Joseph D.

    2018-02-01

    Measured nuclear magnetic resonance (NMR) transverse relaxation data in articular cartilage has been shown to be multi-exponential and correlated to the health of the tissue. The observed relaxation rates are dependent on experimental parameters such as solvent, data acquisition methods, data analysis methods, and alignment to the magnetic field. In this study, we show that diffusive exchange occurs in porcine articular cartilage and impacts the observed relaxation rates in T1-T2 correlation experiments. By using time domain analysis of T2-T2 exchange spectroscopy, the diffusive exchange time can be quantified by measurements that use a single mixing time. Measured characteristic times for exchange are commensurate with T1 in this material and so impacts the observed T1 behavior. The approach used here allows for reliable quantification of NMR relaxation behavior in cartilage in the presence of diffusive fluid exchange between two environments.

  3. Proton and O sup(2-) ion diffusion studied by γ-γ angular correlation and by impedance spectroscopy

    International Nuclear Information System (INIS)

    Oliveira Damasceno, O. de.

    1988-01-01

    The interaction of sup(181) Ta quadrupole momentum with electric field gradient was measured by perturbed angular correlation spectroscopy in polycrystalline samples of hafnium hydride and hafnium oxide. The measurements were done as function of the temperature, in cubic and tetragonal phases of hafnium hydride. In the cubic phase, spin relaxation effects related to proton diffusion with activation energy of 0.43 ± 0.05eV were observed, and in the tetragonal phase, the interaction was purely static. The hafnium oxide was studied in cubic phase stabilized by addition of calcium oxide or magnesium oxide. Relaxation effects probably due to O sup(2-) ion diffusion were verified. The protonic conduction in K H sub(2) PO sub(4) was studied by impedance spectroscopy, in pellets prepared by melting or powder compression using silver and platinum electrodes. In the case of silver electrodes, in the low frequency region, the impedance spectrum tends to a 45 sup(0) typical line of the diffusion process. It was attributed to hydrogen injection in the electrode. Heating k H sub(2) PO sub(4) at about 230 sup(0)C modifies significantly the electric properties. Two relaxation annealing reduced conductivities to constant values independently of preparation method. (author)

  4. Nuclear spectroscopy study of the 117 Sn by the angular correlation technique

    International Nuclear Information System (INIS)

    Borges, Joao Baptista

    1977-01-01

    The directional correlation of gamma cascade (553-159) keV populated in 117 Sn through the β - decay of 117 In has been measured. An automatic gamma spectrometer utilizing Ge(Li) and NaI (Tl) detectors was used to measure the angular correlation. The results are analysed in terms of the multipole mixing ratio for the 159 keV transition in 117 Sn. The results are: A 22 = -0 064±0.005, A 44 = 0.005±0.007 with δ(E2/M1) 159keV = 0.036+0.021. The life time of the 159 keV state has also been determined by using the plastic scintillator detectors, and utilizing the delayed gamma-gamma coincidence method the resulting value of the life time is T 1/2 = 275±15 psec. Further measurements have been carried out to determine the nuclear g-factor of the 159 keV state utilizing the NaI(Tl) detectors and an external magnetic field of 25.5 k Gauss. The method of 'integral rotation with reverse field and constant angle' was utilized for the determination of the g-factor with the resulting value of g(159 keV) = +0.47±0.10. The experimental results are discussed in terms of single particle model and the pairing plus quadrupole model of Kisslinger and Sorensen. (author)

  5. Epileptic rat brain tissue analyzed by 2D correlation Raman spectroscopy

    Science.gov (United States)

    Sacharz, Julia; Wesełucha-Birczyńska, Aleksandra; Zięba-Palus, Janina; Lewandowski, Marian H.; Kowalski, Rafał; Palus, Katarzyna; Chrobok, Łukasz; Moskal, Paulina; Birczyńska, Malwina; Sozańska, Agnieszka

    2018-01-01

    Absence epilepsy is the neurological disorder characterized by the pathological spike-and wave discharges present in the electroencephalogram, accompanying a sudden loss of consciousness. Experiments were performed on brain slices obtained from young male WAG/Rij rats (2-3 weeks old), so that they were sampled before the appearance of brain-damaging seizures symptoms. Two differing brain areas of the rats' brain tissue were studied: the somatosensory cortex (Sc) and the dorsal lateral geniculate nucleus of the thalamus (DLG). The Raman spectra of the fresh brain scraps, kept during measurements in artificial cerebrospinal fluid, were collected using as an excitation source 442 nm, 514.5 nm, 785 nm and 1064 nm laser line. The average spectra were analyzed by 2D correlation method regarding laser line as an external perturbation. In 2D synchronous spectra positive auto-peaks corresponding to the Cdbnd C stretching and amide I band vibrations show maxima at 1660 cm- 1 and 1662 cm- 1 for Sc and DLG, respectively. The prominent auto-peak at 2937 cm- 1, originated from the CH3 mode in DLG brain area, seems to indicate the importance of methylation, considered to be significant in epileptogenesis. Synchronous and asynchronous correlations peaks, glutamic acid and gamma-aminobutyric acid (GABA), appear in Sc and DLG, respectively. In the 1730-1600 cm- 1 range occur cross-peaks which appearance might be triggered by glial fibrillary acidic protein (GFAP) activation.

  6. Studies of metal binding by the iron transport protein transferrin using time differential perturbed angular correlation spectroscopy

    International Nuclear Information System (INIS)

    Then, G.M.

    1987-01-01

    The binding of the transition metal hafnium to transferrin was studied under various chemical conditions using time differential perturbed γγ angular correlation spectroscopy (TDPAC). Observing the electric quadrupole interaction of the 181 Hf probe nuclei size and symmetry of the electric field gradient induced by the ligands of the metal ions can be determined. The experimental data suggest how homogeneous the binding conditions are and to which extend relaxation phenomena are involved. Due to the excellent time resolution obtained with new BaF 2 detectors the quadrupole coupling parameters of 181 Hf-transferrin could be determined very accurately. Under nearly physiological conditions different binding configurations were quantitatively characterized by spectroscopic means and distinguished with high specificity. (orig./PW) [de

  7. Fibrillation mechanism of a model intrinsically disordered protein revealed by 2D correlation deep UV resonance Raman spectroscopy.

    Science.gov (United States)

    Sikirzhytski, Vitali; Topilina, Natalya I; Takor, Gaius A; Higashiya, Seiichiro; Welch, John T; Uversky, Vladimir N; Lednev, Igor K

    2012-05-14

    Understanding of numerous biological functions of intrinsically disordered proteins (IDPs) is of significant interest to modern life science research. A large variety of serious debilitating diseases are associated with the malfunction of IDPs including neurodegenerative disorders and systemic amyloidosis. Here we report on the molecular mechanism of amyloid fibrillation of a model IDP (YE8) using 2D correlation deep UV resonance Raman spectroscopy. YE8 is a genetically engineered polypeptide, which is completely unordered at neutral pH yet exhibits all properties of a fibrillogenic protein at low pH. The very first step of the fibrillation process involves structural rearrangements of YE8 at the global structure level without the detectable appearance of secondary structural elements. The formation of β-sheet species follows the global structural changes and proceeds via the simultaneous formation of turns and β-strands. The kinetic mechanism revealed is an important new contribution to understanding of the general fibrillation mechanism proposed for IDP.

  8. X-ray Photon Correlation Spectroscopy Study on Dynamics of the Free Surface in Entangled Polystyrene Melt Films

    International Nuclear Information System (INIS)

    Koga, Tadanori; Li Chunhua; Endoh, Maya K; Narayanan, Suresh; Lurio, Laurence; Sinha, Sunil K

    2011-01-01

    The dynamics of polymer chains near the surface of a melt and within thin films remains a subject of inquiry along with the nature of the glass transition in these systems. Recent studies show that the properties of the free surface region are crucial in determining the anomalous glass transition temperature (T g ) reduction of polymer thin films. In this study, by embedding 'dilute' gold nanoparticles in polystyrene (PS) thin films as 'markers', we could successfully probe the diffusive Brownian motion which tracks the local viscosity both at the free surface and within the rest of the single PS thin film far above bulk T g . The technique used was X-ray photon correlation spectroscopy with resonance-enhanced X-rays that allows us to independently measure the motion in the regions of interest at the nanometer scale. We found the presence of the surface reduced viscosity layer in entangled PS thin films at T>>T g .

  9. Nano-viscosity of supercooled liquid measured by fluorescence correlation spectroscopy: Pressure and temperature dependence and the density scaling

    Science.gov (United States)

    Meier, G.; Gapinski, J.; Ratajczyk, M.; Lettinga, M. P.; Hirtz, K.; Banachowicz, E.; Patkowski, A.

    2018-03-01

    The Stokes-Einstein relation allows us to calculate apparent viscosity experienced by tracers in complex media on the basis of measured self-diffusion coefficients. Such defined nano-viscosity values can be obtained through single particle techniques, like fluorescence correlation spectroscopy (FCS) and particle tracking (PT). In order to perform such measurements, as functions of pressure and temperature, a new sample cell was designed and is described in this work. We show that this cell in combination with a long working distance objective of the confocal microscope can be used for successful FCS, PT, and confocal imaging experiments in broad pressure (0.1-100 MPa) and temperature ranges. The temperature and pressure dependent nano-viscosity of a van der Waals liquid obtained from the translational diffusion coefficient measured in this cell by means of FCS obeys the same scaling as the rotational relaxation and macro-viscosity of the system.

  10. Application of X-ray spectroscopy in nondestructive photon activation analysis

    International Nuclear Information System (INIS)

    Weise, H.-P.; Segebade, Chr.

    1977-01-01

    The use of X-ray spectroscopy for the qualitative and quantitative analysis of samples activated by 30 MeV bremsstrahlung from an electron linear accelerator. Detection limits are calculated from the measured X-ray spectra and compared with those for γ-ray spectroscopy. In general, the detection limits for γ-ray and X-ray spectroscopy are comparable. Higher sensitivities for X-ray spectroscopy are observed when only low intensity γ-rays are emitted by the activation products. X-ray spectroscopy should be applied in three cases: (a) low γ-ray emission probability, (b) extremely complicated γ-ray spectrum, (c) overlapping of γ-ray lines from different elements. γ-ray spectroscopy should be preferred for the analysis of light elements for two reasons: very strong absorption of low energy X-rays (low Z) within the sample, low X-ray emission probability for the activation products of light elements. Therefore no attempt was made to use X-ray spectroscopy for the analysis of elements below Ti. Some practical applications of X-ray spectroscopy in nondestructive multielement analysis are quoted. (T.G.)

  11. Simultaneous membrane interaction of amphipathic peptide monomers, self-aggregates and cargo complexes detected by fluorescence correlation spectroscopy.

    Science.gov (United States)

    Vasconcelos, Luís; Lehto, Tõnis; Madani, Fatemeh; Radoi, Vlad; Hällbrink, Mattias; Vukojević, Vladana; Langel, Ülo

    2018-02-01

    Peptides able to translocate cell membranes while carrying macromolecular cargo, as cell-penetrating peptides (CPPs), can contribute to the field of drug delivery by enabling the transport of otherwise membrane impermeable molecules. Formation of non-covalent complexes between amphipathic peptides and oligonucleotides is driven by electrostatic and hydrophobic interactions. Here we investigate and quantify the coexistence of distinct molecular species in multiple equilibria, namely peptide monomer, peptide self-aggregates and peptide/oligonucleotide complexes. As a model for the complexes, we used a stearylated peptide from the PepFect family, PF14 and siRNA. PF14 has a cationic part and a lipid part, resembling some characteristics of cationic lipids. Fluorescence correlation spectroscopy (FCS) and fluorescence cross-correlation spectroscopy (FCCS) were used to detect distinct molecular entities in solution and at the plasma membrane of live cells. For that, we labeled the peptide with carboxyrhodamine 6G and the siRNA with Cyanine 5. We were able to detect fluorescent entities with diffusional properties characteristic of the peptide monomer as well as of peptide aggregates and peptide/oligonucleotide complexes. Strategies to avoid peptide adsorption to solid surfaces and self-aggregation were developed and allowed successful FCS measurements in solution and at the plasma membrane. The ratio between the detected molecular species was found to vary with pH, peptide concentration and the proximity to the plasma membrane. The present results suggest that the diverse cellular uptake mechanisms, often reported for amphipathic CPPs, might result from the synergistic effect of peptide monomers, self-aggregates and cargo complexes, distributed unevenly at the plasma membrane. Copyright © 2017 Elsevier B.V. All rights reserved.

  12. In vivo 1D and 2D correlation MR spectroscopy of the soleus muscle at 7T

    Science.gov (United States)

    Ramadan, Saadallah; Ratai, Eva-Maria; Wald, Lawrence L.; Mountford, Carolyn E.

    2010-05-01

    AimThis study aims to (1) undertake and analyse 1D and 2D MR correlation spectroscopy from human soleus muscle in vivo at 7T, and (2) determine T1 and T2 relaxation time constants at 7T field strength due to their importance in sequence design and spectral quantitation. MethodSix healthy, male volunteers were consented and scanned on a 7T whole-body scanner (Siemens AG, Erlangen, Germany). Experiments were undertaken using a 28 cm diameter detunable birdcage coil for signal excitation and an 8.5 cm diameter surface coil for signal reception. The relaxation time constants, T1 and T2 were recorded using a STEAM sequence, using the 'progressive saturation' method for the T1 and multiple echo times for T2. The 2D L-Correlated SpectroscopY (L-COSY) method was employed with 64 increments (0.4 ms increment size) and eight averages per scan, with a total time of 17 min. ResultsT1 and T2 values for the metabolites of interest were determined. The L-COSY spectra obtained from the soleus muscle provided information on lipid content and chemical structure not available, in vivo, at lower field strengths. All molecular fragments within multiple lipid compartments were chemically shifted by 0.20-0.26 ppm at this field strength. 1D and 2D L-COSY spectra were assigned and proton connectivities were confirmed with the 2D method. ConclusionIn vivo 1D and 2D spectroscopic examination of muscle can be successfully recorded at 7T and is now available to assess lipid alterations as well as other metabolites present with disease. T1 and T2 values were also determined in soleus muscle of male healthy volunteers.

  13. Transport and accumulation of PVP-Hypericin in cancer and normal cells characterized by image correlation spectroscopy techniques.

    Science.gov (United States)

    Penjweini, Rozhin; Smisdom, Nick; Deville, Sarah; Ameloot, Marcel

    2014-05-01

    PVP-Hypericin (PVP: polyvinylpyrrolidone) is a potent anti-cancer photosensitizer for photodynamic diagnosis (PDD) and therapy (PDT). However, cellular targets and mechanisms involved in the cancer-selectivity of the photosensitizer are not yet fully understood. This paper gives new insights into the differential transport and localization of PVP-Hypericin in cancer and normal cells which are essential to unravel the mechanisms of action and cancer-selectivity. Temporal (TICS) and spatiotemporal (STICS) image correlation spectroscopy are used for the assessment of PVP-Hypericin diffusion and/or velocity in the case of concerted flow in human cervical epithelial HeLa and human lung carcinoma A549 cells, as well as in human primary dendritic cells (DC) and human peripheral blood mononuclear cells (PBMC). Spatiotemporal image cross-correlation spectroscopy (STICCS) based on organelle specific fluorescent labeling is employed to study the accumulation of the photosensitizer in nucleus, mitochondria, early-endosomes and lysosomes of the cells and to assess the dynamics of co-migrating molecules. Whereas STICS and TICS did not show a remarkable difference between the dynamics of PVP-Hypericin in HeLa, A549 and DC cells, a significantly different diffusion rate of the photosensitizer was measured in PBMC. STICCS detected a stationary accumulation of PVP-Hypericin within the nucleus, mitochondria, early endosomes and lysosomes of HeLa and A549 cells. However, significant flow due to the directed motion of the organelles was detected. In contrast, no accumulation in the nucleus and mitochondria of DC and PBMC could be monitored. Copyright © 2014 Elsevier B.V. All rights reserved.

  14. Correlation analysis of the Taurus molecular cloud complex

    International Nuclear Information System (INIS)

    Kleiner, S.C.

    1985-01-01

    Autocorrelation and power spectrum methods were applied to the analysis of the density and velocity structure of the Taurus Complex and Heiles Cloud 2 as traced out by 13 CO J = 1 → 0 molecular line observations obtained with the 14m antenna of the Five College Radio Astronomy Observatory. Statistically significant correlations in the spacing of density fluctuations within the Taurus Complex and Heiles 2 were uncovered. The length scales of the observed correlations correspond in magnitude to the Jeans wavelengths characterizing gravitational instabilities with (i) interstellar atomic hydrogen gas for the case of the Taurus complex, and (ii) molecular hydrogen for Heiles 2. The observed correlations may be the signatures of past and current gravitational instabilities frozen into the structure of the molecular gas. The appendices provide a comprehensive description of the analytical and numerical methods developed for the correlation analysis of molecular clouds

  15. Correlation between near-infrared spectroscopy and magnetic resonance imaging of rat brain oxygenation modulation

    International Nuclear Information System (INIS)

    Chen Yu; Tailor, Dharmesh R; Intes, Xavier; Chance, Britton

    2003-01-01

    We measure the tissue oxygen and haemoglobin concentrations in the rat brain during modulation of inhaled oxygen concentration (FiO 2 ), using non-invasive frequency domain near-infrared oximetry. The rise in oxygenated haemoglobin concentration and the decline in deoxygenated haemoglobin concentration are demonstrated in correspondence with the modulation of FiO 2 , which is changed from 20% to 100% in increments of 20%. Furthermore, the tissue oxygenation saturation also shows the corresponding trend and changes ranging from approximately 70% to 90%. The relative changes in deoxygenated haemoglobin concentration are compared to the blood-oxygenation-level-dependent (BOLD) MRI signal recorded during a similar FiO 2 protocol. A linear relationship with high correlation coefficient between the relative changes in the BOLD MRI signal and the NIRS signal is observed

  16. Correlation between near-infrared spectroscopy and magnetic resonance imaging of rat brain oxygenation modulation

    Energy Technology Data Exchange (ETDEWEB)

    Chen Yu [Department of Biochemistry and Biophysics, University of Pennsylvania, Philadelphia, PA (United States); Tailor, Dharmesh R [Department of Bioengineering, University of Pennsylvania, Philadelphia, PA (United States); Intes, Xavier [Department of Biochemistry and Biophysics, University of Pennsylvania, Philadelphia, PA (United States); Chance, Britton [Department of Biochemistry and Biophysics, University of Pennsylvania, Philadelphia, PA (United States)

    2003-02-21

    We measure the tissue oxygen and haemoglobin concentrations in the rat brain during modulation of inhaled oxygen concentration (FiO{sub 2}), using non-invasive frequency domain near-infrared oximetry. The rise in oxygenated haemoglobin concentration and the decline in deoxygenated haemoglobin concentration are demonstrated in correspondence with the modulation of FiO{sub 2}, which is changed from 20% to 100% in increments of 20%. Furthermore, the tissue oxygenation saturation also shows the corresponding trend and changes ranging from approximately 70% to 90%. The relative changes in deoxygenated haemoglobin concentration are compared to the blood-oxygenation-level-dependent (BOLD) MRI signal recorded during a similar FiO{sub 2} protocol. A linear relationship with high correlation coefficient between the relative changes in the BOLD MRI signal and the NIRS signal is observed.

  17. Microrheology of polymeric solutions using x-ray photon correlation spectroscopy

    International Nuclear Information System (INIS)

    Papagiannopoulos, A; Waigh, T A; Fluerasu, A; Fernyhough, C; Madsen, A

    2005-01-01

    We demonstrate the technique of XPCS microrheology on opaque polymeric solutions (1-20% w/w) using colloidal silica probes. The short time decay of the intensity correlation function provides the mean square displacement (MSD) of the colloidal probes. The MSDs of the probes are subsequently transformed using the generalized Stokes-Einstein equation, allowing the linear viscoelastic spectra of a biopolymer (gellan) and a synthetic polyelectrolyte (polystyrene sulfonate, PSS) to be calculated over two decades of frequency. MSDs can be measured that are two orders of magnitude smaller than those possible with video particle tracking microrheology, with a sensitivity of ∼10 nm s -1 for displacements of ∼nms. The XPCS data for water, glycerol and PSS combs are in agreement with video particle tracking microrheology experiments performed at lower polymer concentrations. (letter to the editor)

  18. Emission spectroscopy analysis during Nopal cladodes dethorning by laser ablation

    Science.gov (United States)

    Peña-Díaz, M.; Ponce, L.; Arronte, M.; Flores, T.

    2007-04-01

    Optical emission spectroscopy of the pulsed laser ablation of spines and glochids from Opuntia (Nopal) cladodes was performed. Nopal cladodes were irradiated with Nd:YAG free-running laser pulses on their body, glochids and spines. Emission spectroscopy analyses in the 350-1000 nm region of the laser induced plasma were made. Plasma plume evolution characterization, theoretical calculations of plasma plume temperature and experiments varying the processing atmosphere showed that the process is dominated by a thermally activated combustion reaction which increases the dethorning process efficiency. Therefore, appropriate laser pulse energy for minimal damage of cladodes body and in the area beneath glochids and spines can be obtained.

  19. Emission spectroscopy analysis during Nopal cladodes dethorning by laser ablation

    Energy Technology Data Exchange (ETDEWEB)

    Pena-Diaz, M; Ponce, L; Arronte, M; Flores, T [Laboratorio TecnologIa Laser, CICATA-IPN, Unidad Altamira, Carretera Tampico-Puerto Ind. Altamira, 89600, TAMPS (Mexico)

    2007-04-15

    Optical emission spectroscopy of the pulsed laser ablation of spines and glochids from Opuntia (Nopal) cladodes was performed. Nopal cladodes were irradiated with Nd:YAG free-running laser pulses on their body, glochids and spines. Emission spectroscopy analyses in the 350-1000 nm region of the laser induced plasma were made. Plasma plume evolution characterization, theoretical calculations of plasma plume temperature and experiments varying the processing atmosphere showed that the process is dominated by a thermally activated combustion reaction which increases the dethorning process efficiency. Therefore, appropriate laser pulse energy for minimal damage of cladodes body and in the area beneath glochids and spines can be obtained.

  20. Emission spectroscopy analysis during Nopal cladodes dethorning by laser ablation

    International Nuclear Information System (INIS)

    Pena-Diaz, M; Ponce, L; Arronte, M; Flores, T

    2007-01-01

    Optical emission spectroscopy of the pulsed laser ablation of spines and glochids from Opuntia (Nopal) cladodes was performed. Nopal cladodes were irradiated with Nd:YAG free-running laser pulses on their body, glochids and spines. Emission spectroscopy analyses in the 350-1000 nm region of the laser induced plasma were made. Plasma plume evolution characterization, theoretical calculations of plasma plume temperature and experiments varying the processing atmosphere showed that the process is dominated by a thermally activated combustion reaction which increases the dethorning process efficiency. Therefore, appropriate laser pulse energy for minimal damage of cladodes body and in the area beneath glochids and spines can be obtained

  1. Canonical correlation analysis of course and teacher evaluation

    DEFF Research Database (Denmark)

    Sliusarenko, Tamara; Ersbøll, Bjarne Kjær

    2010-01-01

    At the Technical University of Denmark course evaluations are performed by the students on a questionnaire. On one form the students are asked specific questions regarding the course. On a second form they are asked specific questions about the teacher. This study investigates the extent to which...... information obtained from the course evaluation form overlaps with information obtained from the teacher evaluation form. Employing canonical correlation analysis it was found that course and teacher evaluations are correlated. However, the structure of the canonical correlation is subject to change...

  2. Analysis of charge-dependent azimuthal correlations with HADES

    Energy Technology Data Exchange (ETDEWEB)

    Kornas, Frederic [TU Darmstadt (Germany); Selyuzhenkov, Ilya [GSI (Germany); Galatyuk, Tetyana [TU Darmstadt (Germany); GSI (Germany); Collaboration: HADES-Collaboration

    2016-07-01

    Charge-dependent azimuthal correlations relative to the reaction plane have been proposed as a probe in the search for the chiral magnetic effect in relativistic heavy-ion collisions. These type of correlations have been measured at the RHIC BES by STAR and at the LHC by ALICE. This contribution discusses two charged particle correlations with respect to the reaction plane measured with high statistic sample of Au+Au collisions at 1.23 AGeV collected by HADES. The Forward wall detector allows to reconstruct the reaction plane using the spectator fragments. The status of the analysis with protons and charged pions will be presented.

  3. Data analytics using canonical correlation analysis and Monte Carlo simulation

    Science.gov (United States)

    Rickman, Jeffrey M.; Wang, Yan; Rollett, Anthony D.; Harmer, Martin P.; Compson, Charles

    2017-07-01

    A canonical correlation analysis is a generic parametric model used in the statistical analysis of data involving interrelated or interdependent input and output variables. It is especially useful in data analytics as a dimensional reduction strategy that simplifies a complex, multidimensional parameter space by identifying a relatively few combinations of variables that are maximally correlated. One shortcoming of the canonical correlation analysis, however, is that it provides only a linear combination of variables that maximizes these correlations. With this in mind, we describe here a versatile, Monte-Carlo based methodology that is useful in identifying non-linear functions of the variables that lead to strong input/output correlations. We demonstrate that our approach leads to a substantial enhancement of correlations, as illustrated by two experimental applications of substantial interest to the materials science community, namely: (1) determining the interdependence of processing and microstructural variables associated with doped polycrystalline aluminas, and (2) relating microstructural decriptors to the electrical and optoelectronic properties of thin-film solar cells based on CuInSe2 absorbers. Finally, we describe how this approach facilitates experimental planning and process control.

  4. Probabilistic leak-before-break analysis with correlated input parameters

    International Nuclear Information System (INIS)

    Qian Guian; Niffenegger, Markus; Karanki, Durga Rao; Li Shuxin

    2013-01-01

    Highlights: ► The correlation of crack growth has the most significant impact on LBB behavior. ► The correlation impact increases with the correlation coefficients. ► The correlation impact increases with the number of cracks. ► Independent assumption may lead to nonconservative result. - Abstract: The paper presents a probabilistic methodology considering the correlations between the input variables for the analysis of leak-before-break (LBB) behavior of a pressure tube. A computer program based on Monte Carlo (MC) simulation with Nataf transformation has been developed to allow the proposed methodology to calculate both the time from the first leakage to unstable fracture and the time from leakage detection to unstable fracture. The results show that the correlation of the crack growth rates between different cracks has the most significant impact on the LBB behavior of the pressure tube. The impact of the parameters correlation on LBB behavior increases with the crack numbers. If the correlations between different parameters for an individual crack are not considered, the predicted results are nonconservative when the cumulative probability is below 50% and conservative when it is above 50%.

  5. Isotopic analysis using optical spectroscopy (1963); Analyse isotopique par spectroscopie optique (1963)

    Energy Technology Data Exchange (ETDEWEB)

    Gerstenkorn, S [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1963-07-01

    The isotopic displacement in the atomic lines of certain elements (H, He, Li, Ne, Sr, Hg, Pb, U, Pu) is used for dosing these elements isotopically. The use of the Fabry-Perot photo-electric interference spectrometer is shown to be particularly adapted for this sort of problem: in each case we give on the one hand the essential results obtained with this apparatus, and on the other hand the results previously obtained with a conventional apparatus (grating, photographic plate). These results together give an idea of the possibilities of optical spectroscopy: in the best case, the precision which may be expected is of the order of 1 to 2 per cent for isotopes whose concentration is about 1 per cent. (author) [French] Le deplacement isotopique dans les raies atomiques de certains elements (H, He, Li, Ne, Sr, Hg, Pb, U, Pu) est utilise pour effectuer le dosage isotopique de ces elements. L'utilisation du spectrometre interferentiel Fabry-Perot photoelectrique se revele particulierement adapte a ce genre de probleme: dans chaque cas, nous donnons d'une part l'essentiel des resultats obtenus avec cet appareil, et d'autre part, les resultats obtenus anterieurement a l'aide de l'appareillage classique (reseau, plaque photographique). L'ensemble de ces informations donne une idee des possibilites offertes par la spectroscopie optique: dans le meilleur des cas, la precision que l'on peut esperer est de l'ordre de 1 a 2 pour cent pour des isotopes dont la concentration est de l'ordre de 1 pour cent. (auteur)

  6. Surface analysis by electron spectroscopy. General concepts and applications

    International Nuclear Information System (INIS)

    Feliu, S.

    1993-01-01

    An introduction is made to the techniques of electron spectroscopy (XPS and AES) used in the study of surface phenomena. Their theoretical principles, the singular information supplied by these techniques and their basic instrumentation (vacuum systems, excitation sources and electron analysers) are described. A revision of their applications to the Materials Science and the Corrosion Sciences is also made. Author. 44 refs

  7. Discrimination of Chinese Sauce liquor using FT-IR and two-dimensional correlation IR spectroscopy

    Science.gov (United States)

    Sun, Su-Qin; Li, Chang-Wen; Wei, Ji-Ping; Zhou, Qun; Noda, Isao

    2006-11-01

    We applied the three-step IR macro-fingerprint identification method to obtain the IR characteristic fingerprints of so-called Chinese Sauce liquor (Moutai liquor and Kinsly liquor) and a counterfeit Moutai. These fingerprints can be used for the identification and discrimination of similar liquor products. The comparison of their conventional IR spectra, as the first step of identification, shows that the primary difference in Sauce liquor is the intensity of characteristic peaks at 1592 and 1225 cm -1. The comparison of the second derivative IR spectra, as the second step of identification, shows that the characteristic absorption in 1400-1800 cm -1 is substantially different. The comparison of 2D-IR correlation spectra, as the third and final step of identification, can discriminate the liquors from another direction. Furthermore, the method was successfully applied to the discrimination of a counterfeit Moutai from the genuine Sauce liquor. The success of the three-step IR macro-fingerprint identification to provide a rapid and effective method for the identification of Chinese liquor suggests the potential extension of this technique to the identification and discrimination of other wine and spirits, as well.

  8. Vibrational correlation between conjugated carbonyl and diazo modes studied by single- and dual-frequency two-dimensional infrared spectroscopy

    Science.gov (United States)

    Maekawa, Hiroaki; Sul, Soohwan; Ge, Nien-Hui

    2013-08-01

    We have applied infrared three-pulse photon echo and single- and dual-frequency 2D IR spectroscopy to the ester Cdbnd O and diazo Ndbnd N stretching modes in ethyl diazoacetate (EDA), and investigated their vibrational frequency fluctuations and correlation. The two modes exhibit different vibrational dynamics and 2D lineshape, which are well simulated by frequency-frequency correlation functions (FFCFs) with two decaying components. Although the FT IR spectrum shows a single Cdbnd O band, absolute magnitude 2D IR nonrephasing spectrum displays spectral signatures supporting the presence of cis and trans conformations. The cross-peak inclined toward the anti-diagonal in the dual-frequency 2D IR spectrum, indicating that the frequency fluctuations of the two modes are anticorrelated. This behavior is attributed to anticorrelated change in the bond orders when solvent and structural fluctuations causes EDA to adopt a different mixture of the two dominant resonance structures. The effects of cross FFCF on the cross-peak line shape are discussed.

  9. Correlation between memory, proton magnetic resonance spectroscopy, and interictal epileptiform discharges in temporal lobe epilepsy related to mesial temporal sclerosis.

    Science.gov (United States)

    Mantoan, Marcele Araújo Silva; Caboclo, Luís Otávio Sales Ferreira; de Figueiredo Ferreira Guilhoto, Laura Maria; Lin, Katia; da Silva Noffs, Maria Helena; de Souza Silva Tudesco, Ivanda; Belzunces, Erich; Carrete, Henrique; Bussoletti, Renato Tavares; Centeno, Ricardo Silva; Sakamoto, Américo Ceiki; Yacubian, Elza Márcia Targas

    2009-11-01

    The aim of the study described here was to examine the relationship between memory function, proton magnetic resonance spectroscopy ((1)H-MRS) abnormalities, and interictal epileptiform discharge (IED) lateralization in patients with temporal lobe epilepsy (TLE) related to unilateral mesial temporal sclerosis. We assessed performance on tests of memory function and intelligence quotient (IQ) in 29 right-handed outpatients and 24 controls. IEDs were assessed on 30-minute-awake and 30-minute-sleep EEG samples. Patients had (1)H-MRS at 1.5 T. There was a negative correlation between IQ (P=0.031) and Rey Auditory Verbal Learning Test results (P=0.022) and epilepsy duration; between(1)H-MRS findings and epilepsy duration (P=0.027); and between N-acetylaspartate (NAA) levels and IEDs (P=0.006) in contralateral mesial temporal structures in the left MTS group. (1)H-MRS findings, IEDs, and verbal function were correlated. These findings suggest that IEDs and NAA/(Cho+Cr) ratios reflecting neural metabolism are closely related to verbal memory function in mesial temporal sclerosis. Higher interictal activity on the EEG was associated with a decline in total NAA in contralateral mesial temporal structures.

  10. In situ fluorescence spectroscopy correlates ionomer degradation to reactive oxygen species generation in an operating fuel cell.

    Science.gov (United States)

    Prabhakaran, Venkateshkumar; Arges, Christopher G; Ramani, Vijay

    2013-11-21

    The rate of generation of reactive oxygen species (ROS) within the polymer electrolyte membrane (PEM) of an operating proton exchange member fuel cell (PEMFC) was monitored using in situ fluorescence spectroscopy. A modified barrier layer was introduced between the PEM and the electrocatalyst layer to eliminate metal-dye interactions and fluorescence resonance energy transfer (FRET) effects during measurements. Standard fuel cell operating parameters (temperature, relative humidity, and electrode potential) were systematically varied to evaluate their influence on the rate of ROS generation during PEMFC operation. Independently, the macroscopic rate of PEM degradation was measured by monitoring the fluoride ion emission rate (FER) in the effluent stream at each operating condition. The ROS generation reaction rate constant (estimated from the in situ fluorescence experiments) correlated perfectly with the measured FER across all conditions, demonstrating unequivocally for the first time that a direct correlation exists between in situ ROS generation and PEM macroscopic degradation. The activation energy for ROS generation within the PEM was estimated to be 12.5 kJ mol(-1).

  11. Fluorescence Correlation Spectroscopy to find the critical balance between extracellular association and intracellular dissociation of mRNA-complexes.

    Science.gov (United States)

    Zhang, Heyang; De Smedt, Stefaan C; Remaut, Katrien

    2018-05-10

    Fluorescence Correlation Spectroscopy (FCS) is a promising tool to study interactions on a single molecule level. The diffusion of fluorescent molecules in and out of the excitation volume of a confocal microscope leads to the fluorescence fluctuations that give information on the average number of fluorescent molecules present in the excitation volume and their diffusion coefficients. In this context, we complexed mRNA into lipoplexes and polyplexes and explored the association/dissociation degree of complexes by using gel electrophoresis and FCS. FCS enabled us to measure the association and dissociation degree of mRNA-based complexes both in buffer and protein-rich biological fluids such as human serum and ascitic fluid, which is a clear advantage over gel electrophoresis that was only applicable in protein-free buffer solutions. Furthermore, following the complex stability in buffer and biological fluids by FCS assisted to understand how complex characteristics, such as charge ratio and strength of mRNA binding, correlated to the transfection efficiency. We found that linear polyethyleneimine prevented efficient translation of mRNA, most likely due to a too strong mRNA binding, whereas the lipid based carrier Lipofectamine ® messengerMAX did succeed in efficient release and subsequent translation of mRNA in the cytoplasm of the cells. Overall, FCS is a reliable tool for the in depth characterization of mRNA complexes and can help us to find the critical balance keeping mRNA bound in complexes in the extracellular environment and efficient intracellular mRNA release leading to protein production. The delivery of messenger RNA (mRNA) to cells is promising to treat a variety of diseases. Therefore, the mRNA is typically packed in small lipid particles or polymer particles that help the mRNA to reach the cytoplasm of the cells. These particles should bind and carry the mRNA in the extracellular environment (e.g. blood, peritoneal fluid, ...), but should release

  12. Diterpenoic acids analysis using a coupled TLC-surface-enhanced Raman spectroscopy system

    NARCIS (Netherlands)

    Orinak, A.; Talian, I.; Efremov, E.V.; Ariese, F.; Oriaakova, R.

    2008-01-01

    Hyphenation of thin layer chromatography (TLC) with surface-based spectral methods requires a homogeneous surface for direct and quantitative analysis on the chromatographic plate after separation. Since most chromatographic materials do not produce strong background signals in Raman spectroscopy

  13. Microcalorimeter Q-spectroscopy for rapid isotopic analysis of trace actinide samples

    Energy Technology Data Exchange (ETDEWEB)

    Croce, M.P., E-mail: mpcroce@lanl.gov [Los Alamos National Laboratory, Los Alamos, NM (United States); Bond, E.M.; Hoover, A.S.; Kunde, G.J.; Mocko, V.; Rabin, M.W.; Weisse-Bernstein, N.R.; Wolfsberg, L.E. [Los Alamos National Laboratory, Los Alamos, NM (United States); Bennett, D.A.; Hays-Wehle, J.; Schmidt, D.R.; Ullom, J.N. [National Institute of Standards and Technology, Boulder, CO (United States)

    2015-06-01

    We are developing superconducting transition-edge sensor (TES) microcalorimeters that are optimized for rapid isotopic analysis of trace actinide samples by Q-spectroscopy. By designing mechanically robust TESs and simplified detector assembly methods, we have developed a detector for Q-spectroscopy of actinides that can be assembled in minutes. We have characterized the effects of each simplification and present the results. Finally, we show results of isotopic analysis of plutonium samples with Q-spectroscopy detectors and compare the results to mass spectrometry.

  14. Microcalorimeter Q-spectroscopy for rapid isotopic analysis of trace actinide samples

    International Nuclear Information System (INIS)

    Croce, M.P.; Bond, E.M.; Hoover, A.S.; Kunde, G.J.; Mocko, V.; Rabin, M.W.; Weisse-Bernstein, N.R.; Wolfsberg, L.E.; Bennett, D.A.; Hays-Wehle, J.; Schmidt, D.R.; Ullom, J.N.

    2015-01-01

    We are developing superconducting transition-edge sensor (TES) microcalorimeters that are optimized for rapid isotopic analysis of trace actinide samples by Q-spectroscopy. By designing mechanically robust TESs and simplified detector assembly methods, we have developed a detector for Q-spectroscopy of actinides that can be assembled in minutes. We have characterized the effects of each simplification and present the results. Finally, we show results of isotopic analysis of plutonium samples with Q-spectroscopy detectors and compare the results to mass spectrometry

  15. Comparative analysis of heat transfer correlations for forced convection boiling

    International Nuclear Information System (INIS)

    Guglielmini, G.; Nannei, E.; Pisoni, C.

    1978-01-01

    A critical survey was conducted of the most relevant correlations of boiling heat transfer in forced convection flow. Most of the investigations carried out on partial nucleate boiling and fully developed nucleate boiling have led to the formulation of correlations that are not able to cover a wide range of operating conditions, due to the empirical approach of the problem. A comparative analysis is therefore required in order to delineate the relative accuracy of the proposed correlations, on the basis of the experimental data presently available. The survey performed allows the evaluation of the accuracy of the different calculating procedure; the results obtained, moreover, indicate the most reliable heat transfer correlations for the different operating conditions investigated. This survey was developed for five pressure range (up to 180bar) and for both saturation and subcooled boiling condition

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

    Science.gov (United States)

    Żarnowiec, Paulina; Czerwonka, Grzegorz; Kaca, Wiesław

    2017-01-01

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

  17. Two-dimensional correlation infrared spectroscopy applied to analyzing and identifying the extracts of Baeckea frutescens medicinal materials.

    Science.gov (United States)

    Adib, Adiana Mohamed; Jamaludin, Fadzureena; Kiong, Ling Sui; Hashim, Nuziah; Abdullah, Zunoliza

    2014-08-05

    Baeckea frutescens or locally known as Cucur atap is used as antibacterial, antidysentery, antipyretic and diuretic agent. In Malaysia and Indonesia, they are used as an ingredient of the traditional medicine given to mothers during confinement. A three-steps infra-red (IR) macro-fingerprinting method combining conventional IR spectra, and the secondary derivative spectra with two dimensional infrared correlation spectroscopy (2D-IR) have been proved to be effective methods to examine a complicated mixture such as herbal medicines. This study investigated the feasibility of employing multi-steps IR spectroscopy in order to study the main constituents of B. frutescens and its different extracts (extracted by chloroform, ethyl acetate, methanol and aqueous in turn). The findings indicated that FT-IR and 2D-IR can provide many holistic variation rules of chemical constituents. The structural information of the samples indicated that B. frutescens and its extracts contain a large amount of flavonoids, since some characteristic absorption peaks of flavonoids, such as ∼1600cm(-1), ∼1500cm(-1), ∼1450cm(-1), and ∼1270cm(-1) can be observed. The macroscopical fingerprint characters of FT-IR and 2D-IR spectra can not only provide the information of main chemical constituents in medicinal materials and their different extracts, but also compare the components differences among the similar samples. In conclusion, the multi-steps IR macro-fingerprint method is rapid, effective, visual and accurate for pharmaceutical research. Copyright © 2014 Elsevier B.V. All rights reserved.

  18. Hemodynamic measurements in rat brain and human muscle using diffuse near-infrared absorption and correlation spectroscopies

    Science.gov (United States)

    Yu, Guoqiang; Durduran, Turgut; Furuya, D.; Lech, G.; Zhou, Chao; Chance, Britten; Greenberg, J. H.; Yodh, Arjun G.

    2003-07-01

    Measurement of concentration, oxygenation, and flow characteristics of blood cells can reveal information about tissue metabolism and functional heterogeneity. An improved multifunctional hybrid system has been built on the basis of our previous hybrid instrument that combines two near-infrared diffuse optical techniques to simultaneously monitor the changes of blood flow, total hemoglobin concentration (THC) and blood oxygen saturation (StO2). Diffuse correlation spectroscopy (DCS) monitors blood flow (BF) by measuring the optical phase shifts caused by moving blood cells, while diffuse photon density wave spectroscopy (DPDW) measures tissue absorption and scattering. Higher spatial resolution, higher data acquisition rate and higher dynamic range of the improved system allow us to monitor rapid hemodynamic changes in rat brain and human muscles. We have designed two probes with different source-detector pairs and different separations for the two types of experiments. A unique non-contact probe mounted on the back of a camera, which allows continuous measurements without altering the blood flow, was employed to in vivo monitor the metabolic responses in rat brain during KCl induced cortical spreading depression (CSD). A contact probe was used to measure changes of blood flow and oxygenation in human muscle during and after cuff occlusion or exercise, where the non-contact probe is not appropriate for monitoring the moving target. The experimental results indicate that our multifunctional hybrid system is capable of in vivo and non-invasive monitoring of the hemodynamic changes in different tissues (smaller tissues in rat brain, larger tissues in human muscle) under different conditions (static versus moving). The time series images of flow during CSD obtained by our technique revealed spatial and temporal hemodynamic changes in rat brain. Two to three fold longer recovery times of flow and oxygenation after cuff occlusion or exercise from calf flexors in a

  19. Analysis of degraded papers by infrared and Raman spectroscopy for forensic purposes

    Science.gov (United States)

    Zięba-Palus, J.; Wesełucha-Birczyńska, A.; Trzcińska, B.; Kowalski, R.; Moskal, P.

    2017-07-01

    Paper being the basis of different documents is often the subject of forensic examination. Growing number of bogus or in other manner fraudulently alternated documents causes necessity of identification of individual paper sheets and discrimination between sheets being the parts of analyzed questioned document. Frequently it is necessary to distinguish between paper of the same type but of a different age. Thus, it is essential to know whether the degradation process of paper influences the possibility of differentiation between paper samples. Samples of five types of office paper from different manufacturers were artificially aged in a climatic chamber under 65% relative humidity in air at 90 °C for various periods of time up to 35 days. The conditioned samples were examined by the use of infrared and Raman spectroscopy. Three cards of each paper type were chosen for the experiment. Three different spots on each paper card were measured to assure reproducibility of the experiment in both spectroscopic methods. The possibility of differentiation between aged samples was evaluated. The 2D correlation analysis based on the Noda's method was carried out using ATR FTIR spectra as an input data for generating the correlation maps. It was found that pattern of 2D maps allow to distinguish tested paper samples, identified its components and get insight into paper degradation mechanism.

  20. The Neural Correlates of Moral Thinking: A Meta-Analysis

    OpenAIRE

    Douglas J. Bryant; Wang F; Kelley Deardeuff; Emily Zoccoli; Chang S. Nam

    2016-01-01

    We conducted a meta-analysis to evaluate current research that aims to map the neural correlates of two typical conditions of moral judgment: right-wrong moral judgments and decision-making in moral dilemmas. Utilizing the activation likelihood estimation (ALE) method, we conducted a meta-analysis using neuroimaging data obtained from twenty-one previous studies that measured responses in one or the other of these conditions. We found that across the studies (n = 400), distinct neural circuit...

  1. [Determination and correlation analysis of trace elements in Boletus tomentipes].

    Science.gov (United States)

    Li, Tao; Wang, Yuan-zhong; Zhang, Ji; Zhao, Yan-li; Liu, Hong-gao

    2011-07-01

    The contents of eleven trace elements in Boletus tomentipes were determined by inductively coupled plasma atomic emission spectroscopy (ICP-AES). The results showed that the fruiting bodies of B. tomentipes were very rich in Mg and Fe (>100 mg x kg(-1)) and rich in Mn, Zn and Cu (>10 mg x kg(-1)). Cr, Pb, Ni, Cd, and As were relatively minor contents (0.1-10.0 mg x kg(-1)) of this species, while Hg occurred at the smallest content (< 0.1 mg x kg(-1)). Among the determined 11 trace elements, Zn-Cu had significantly positive correlation (r = 0.659, P < 0.05), whereas, Hg-As, Ni-Fe, and Zn-Mg had significantly negative correlation (r = -0.672, -0.610, -0.617, P < 0.05). This paper presented the trace elements properties of B. tomentipes, and is expected to be useful for exploitation and quality evaluation of this species.

  2. GIS and correlation analysis of geo-environmental variables ...

    African Journals Online (AJOL)

    GIS and correlation analysis of geo-environmental variables influencing malaria prevalence in the Saboba district of Northern Ghana. ... The study also applied spline interpolation technique to map malaria prevalence in the district using standardised malaria incidence. The result indicates that distance to marshy areas is ...

  3. Variability, correlation and path coefficient analysis of seedling traits ...

    African Journals Online (AJOL)

    Indirect selection is a useful means for improving yield in cotton crop. The objective of the present study was to determine the genetic variability, broad sense heritability, genetic advance and correlation among the six seedling traits and their direct and indirect effects on cotton yield by using path coefficient analysis.

  4. Use of fuel failure correlations in accident analysis

    International Nuclear Information System (INIS)

    O'Dell, L.D.; Baars, R.E.; Waltar, A.E.

    1975-05-01

    The MELT-III code for analysis of a Transient Overpower (TOP) accident in an LMFBR is briefly described, including failure criteria currently applied in the code. Preliminary results of calculations exploring failure patterns in time and space in the reactor core are reported and compared for the two empirical fuel failure correlations employed in the code. (U.S.)

  5. Model-independent analysis with BPM correlation matrices

    International Nuclear Information System (INIS)

    Irwin, J.; Wang, C.X.; Yan, Y.T.; Bane, K.; Cai, Y.; Decker, F.; Minty, M.; Stupakov, G.; Zimmermann, F.

    1998-06-01

    The authors discuss techniques for Model-Independent Analysis (MIA) of a beamline using correlation matrices of physical variables and Singular Value Decomposition (SVD) of a beamline BPM matrix. The beamline matrix is formed from BPM readings for a large number of pulses. The method has been applied to the Linear Accelerator of the SLAC Linear Collider (SLC)

  6. Effect of particle size on laser-induced breakdown spectroscopy analysis of alumina suspension in liquids

    International Nuclear Information System (INIS)

    Diaz Rosado, José Carlos; L'hermite, Daniel; Levi, Yves

    2012-01-01

    The analysis by Laser Induced Breakdown Spectroscopy (LIBS) was proposed for the detection and the quantification of different elements in water even when the analyte is composed of particles in suspension. We have studied the effect of particle size on the LIBS signal during liquid analysis. In our study we used different particle sizes (from 2 μm to 90 μm) of Al 2 O 3 in suspension in water. The results were compared to the signal obtained in the case of dissolved aluminum. In the case of particles, a linear correlation between the LIBS signal versus concentration was found but a significant decrease in the slope of the calibration curve was found when the particle size increased. Several hypotheses have been tested and only a partial ablation of the particles might explain this decrease in signal intensity. This effect probably does not occur at smaller particle size. We estimated 860 nm/pulse as ablated thickness from the top of the particle. A statistical analysis over all data obtained allowed us to calculate 100 μm as ablated water column depth. - Highlights: ► We have identified a decrease of calibration curve when particle size increases. ► Partial particle ablation has been identified as the origin of this effect. ► The ablation rate on Al 2 O 3 particles in suspension in water has been estimated. ► We can determine the deepness of the interaction volume into the liquid.

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

    Science.gov (United States)

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

    2009-07-01

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

  8. Registration of prone and supine CT colonography scans using correlation optimized warping and canonical correlation analysis

    International Nuclear Information System (INIS)

    Wang Shijun; Yao Jianhua; Liu Jiamin; Petrick, Nicholas; Van Uitert, Robert L.; Periaswamy, Senthil; Summers, Ronald M.

    2009-01-01

    Purpose: In computed tomographic colonography (CTC), a patient will be scanned twice--Once supine and once prone--to improve the sensitivity for polyp detection. To assist radiologists in CTC reading, in this paper we propose an automated method for colon registration from supine and prone CTC scans. Methods: We propose a new colon centerline registration method for prone and supine CTC scans using correlation optimized warping (COW) and canonical correlation analysis (CCA) based on the anatomical structure of the colon. Four anatomical salient points on the colon are first automatically distinguished. Then correlation optimized warping is applied to the segments defined by the anatomical landmarks to improve the global registration based on local correlation of segments. The COW method was modified by embedding canonical correlation analysis to allow multiple features along the colon centerline to be used in our implementation. Results: We tested the COW algorithm on a CTC data set of 39 patients with 39 polyps (19 training and 20 test cases) to verify the effectiveness of the proposed COW registration method. Experimental results on the test set show that the COW method significantly reduces the average estimation error in a polyp location between supine and prone scans by 67.6%, from 46.27±52.97 to 14.98 mm±11.41 mm, compared to the normalized distance along the colon centerline algorithm (p<0.01). Conclusions: The proposed COW algorithm is more accurate for the colon centerline registration compared to the normalized distance along the colon centerline method and the dynamic time warping method. Comparison results showed that the feature combination of z-coordinate and curvature achieved lowest registration error compared to the other feature combinations used by COW. The proposed method is tolerant to centerline errors because anatomical landmarks help prevent the propagation of errors across the entire colon centerline.

  9. Fluorescence spectroscopy for the detection of potentially malignant disorders of the oral cavity: analysis of 30 cases

    International Nuclear Information System (INIS)

    Francisco, A L N; Correr, W R; Kurachi, C; Azevedo, L H; Galletta, V K; Pinto, C A L; Kowalski, L P

    2014-01-01

    Oral cancer is a major health problem worldwide and although early diagnosis of potentially malignant and malignant diseases is associated with better treatment results, a large number of cancers are initially misdiagnosed, with unfortunate consequences for long-term survival. Fluorescence spectroscopy is a noninvasive modality of diagnostic approach using induced fluorescence emission in tumors that can improve diagnostic accuracy. The objective of this study was to determine the ability to discriminate between normal oral mucosa and potentially malignant disorders by fluorescence spectroscopy. Fluorescence investigation under 408 and 532 nm excitation wavelengths was performed on 60 subjects, 30 with potentially malignant disorders and 30 volunteers with normal mucosa. Data was analyzed to correlate fluorescence patterns with clinical and histopathological diagnostics. Fluorescence spectroscopy used as a point measurement technique resulted in a great variety of spectral information. In a qualitative analysis of the fluorescence spectral characteristics of each type of injury evaluated, it was possible to discriminate between normal and abnormal oral mucosa. The results show the potential use of fluorescence spectroscopy for an improved discrimination of oral disorders. (paper)

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

    Science.gov (United States)

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

    2006-01-01

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

  11. Validation of diffuse correlation spectroscopy sensitivity to nicotinamide-induced blood flow elevation in the murine hindlimb using the fluorescent microsphere technique

    Science.gov (United States)

    Proctor, Ashley R.; Ramirez, Gabriel A.; Han, Songfeng; Liu, Ziping; Bubel, Tracy M.; Choe, Regine

    2018-03-01

    Nicotinamide has been shown to affect blood flow in both tumor and normal tissues, including skeletal muscle. Intraperitoneal injection of nicotinamide was used as a simple intervention to test the sensitivity of noninvasive diffuse correlation spectroscopy (DCS) to changes in blood flow in the murine left quadriceps femoris skeletal muscle. DCS was then compared with the gold-standard fluorescent microsphere (FM) technique for validation. The nicotinamide dose-response experiment showed that relative blood flow measured by DCS increased following treatment with 500- and 1000-mg / kg nicotinamide. The DCS and FM technique comparison showed that blood flow index measured by DCS was correlated with FM counts quantified by image analysis. The results of this study show that DCS is sensitive to nicotinamide-induced blood flow elevation in the murine left quadriceps femoris. Additionally, the results of the comparison were consistent with similar studies in higher-order animal models, suggesting that mouse models can be effectively employed to investigate the utility of DCS for various blood flow measurement applications.

  12. Sparse canonical correlation analysis: new formulation and algorithm.

    Science.gov (United States)

    Chu, Delin; Liao, Li-Zhi; Ng, Michael K; Zhang, Xiaowei

    2013-12-01

    In this paper, we study canonical correlation analysis (CCA), which is a powerful tool in multivariate data analysis for finding the correlation between two sets of multidimensional variables. The main contributions of the paper are: 1) to reveal the equivalent relationship between a recursive formula and a trace formula for the multiple CCA problem, 2) to obtain the explicit characterization for all solutions of the multiple CCA problem even when the corresponding covariance matrices are singular, 3) to develop a new sparse CCA algorithm, and 4) to establish the equivalent relationship between the uncorrelated linear discriminant analysis and the CCA problem. We test several simulated and real-world datasets in gene classification and cross-language document retrieval to demonstrate the effectiveness of the proposed algorithm. The performance of the proposed method is competitive with the state-of-the-art sparse CCA algorithms.

  13. Analysis of Moisture Content in Beetroot using Fourier Transform Infrared Spectroscopy and by Principal Component Analysis.

    Science.gov (United States)

    Nesakumar, Noel; Baskar, Chanthini; Kesavan, Srinivasan; Rayappan, John Bosco Balaguru; Alwarappan, Subbiah

    2018-05-22

    The moisture content of beetroot varies during long-term cold storage. In this work, we propose a strategy to identify the moisture content and age of beetroot using principal component analysis coupled Fourier transform infrared spectroscopy (FTIR). Frequent FTIR measurements were recorded directly from the beetroot sample surface over a period of 34 days for analysing its moisture content employing attenuated total reflectance in the spectral ranges of 2614-4000 and 1465-1853 cm -1 with a spectral resolution of 8 cm -1 . In order to estimate the transmittance peak height (T p ) and area under the transmittance curve [Formula: see text] over the spectral ranges of 2614-4000 and 1465-1853 cm -1 , Gaussian curve fitting algorithm was performed on FTIR data. Principal component and nonlinear regression analyses were utilized for FTIR data analysis. Score plot over the ranges of 2614-4000 and 1465-1853 cm -1 allowed beetroot quality discrimination. Beetroot quality predictive models were developed by employing biphasic dose response function. Validation experiment results confirmed that the accuracy of the beetroot quality predictive model reached 97.5%. This research work proves that FTIR spectroscopy in combination with principal component analysis and beetroot quality predictive models could serve as an effective tool for discriminating moisture content in fresh, half and completely spoiled stages of beetroot samples and for providing status alerts.

  14. Information-Pooling Bias in Collaborative Security Incident Correlation Analysis.

    Science.gov (United States)

    Rajivan, Prashanth; Cooke, Nancy J

    2018-03-01

    Incident correlation is a vital step in the cybersecurity threat detection process. This article presents research on the effect of group-level information-pooling bias on collaborative incident correlation analysis in a synthetic task environment. Past research has shown that uneven information distribution biases people to share information that is known to most team members and prevents them from sharing any unique information available with them. The effect of such biases on security team collaborations are largely unknown. Thirty 3-person teams performed two threat detection missions involving information sharing and correlating security incidents. Incidents were predistributed to each person in the team based on the hidden profile paradigm. Participant teams, randomly assigned to three experimental groups, used different collaboration aids during Mission 2. Communication analysis revealed that participant teams were 3 times more likely to discuss security incidents commonly known to the majority. Unaided team collaboration was inefficient in finding associations between security incidents uniquely available to each member of the team. Visualizations that augment perceptual processing and recognition memory were found to mitigate the bias. The data suggest that (a) security analyst teams, when conducting collaborative correlation analysis, could be inefficient in pooling unique information from their peers; (b) employing off-the-shelf collaboration tools in cybersecurity defense environments is inadequate; and (c) collaborative security visualization tools developed considering the human cognitive limitations of security analysts is necessary. Potential applications of this research include development of team training procedures and collaboration tool development for security analysts.

  15. Correlation between Onset Oxidation Temperature (OOT) and Fourier Transform Infrared Spectroscopy (FTIR) for monitoring the restabilization of Recycled Low-density Polyethylene (LDPE)

    Energy Technology Data Exchange (ETDEWEB)

    Ruvolo-Filho, Adhemar; Pelozzi, Tadeu Luiz Alonso, E-mail: adhemar@power.ufscar.br [Universidade Federal de Sao Carlos (UFSCar), SP (Brazil). Departamento de Quimica

    2013-07-01

    In this work a new method was developed for monitoring the oxidative stability of restabilized and non-restabilized low-density polyethylene (LDPE) during multiple extrusion cycles. The method is based on correlations between Fourier Transform Infrared Spectroscopy (FTIR) and Onset Oxidation Temperature (OOT). Non-linear calibration curves correlating the concentration of primary or secondary antioxidants and the OOT values were obtained. (author)

  16. Analysis of the Correlation between GDP and the Final Consumption

    Directory of Open Access Journals (Sweden)

    Constantin ANGHELACHE

    2011-09-01

    Full Text Available This paper presents the results of the researches performed by the author regarding the evolution of Gross Domestic Product. One of the main aspects of GDP analysis is the correlation with the final consumption, an important macroeconomic indicator. The evolution of the Gross Domestic Product is highly influenced by the evolution of the final consumption. To analyze the correlation, the paper proposes the use of the linear regression model, as one of the most appropriate instruments for such scientific approach. The regression model described in the article uses the GDP as resultant variable and the final consumption as factorial variable.

  17. Linear and Nonlinear Multiset Canonical Correlation Analysis (invited talk)

    DEFF Research Database (Denmark)

    Hilger, Klaus Baggesen; Nielsen, Allan Aasbjerg; Larsen, Rasmus

    2002-01-01

    This paper deals with decompositioning of multiset data. Friedman's alternating conditional expectations (ACE) algorithm is extended to handle multiple sets of variables of different mixtures. The new algorithm finds estimates of the optimal transformations of the involved variables that maximize...... the sum of the pair-wise correlations over all sets. The new algorithm is termed multi-set ACE (MACE) and can find multiple orthogonal eigensolutions. MACE is a generalization of the linear multiset correlations analysis (MCCA). It handles multivariate multisets of arbitrary mixtures of both continuous...

  18. A multimodal stress monitoring system with canonical correlation analysis.

    Science.gov (United States)

    Unsoo Ha; Changhyeon Kim; Yongsu Lee; Hyunki Kim; Taehwan Roh; Hoi-Jun Yoo

    2015-08-01

    The multimodal stress monitoring headband is proposed for mobile stress management system. It is composed of headband and earplugs. Electroencephalography (EEG), hemoencephalography (HEG) and heart-rate variability (HRV) can be achieved simultaneously in the proposed system for user status estimation. With canonical correlation analysis (CCA) and temporal-kernel CCA (tkCCA) algorithm, those different signals can be combined for maximum correlation. Thanks to the proposed combination algorithm, the accuracy of the proposed system increased up to 19 percentage points than unimodal monitoring system in n-back task.

  19. Structural analysis of the carbohydrate chains of glycoproteins by 500-MHz 1H-NMR spectroscopy

    International Nuclear Information System (INIS)

    Mutsaers, J.H.G.M.

    1986-01-01

    This thesis deals with the structural analysis by 500-MHz 1 H-NMR spectroscopy of carbohydrate chains obtained from glycoproteins. In the chapters 1 to 6 the structural analysis of N-glycosidically linked carbohydrate chains is described. The chapters 7 to 10 describe the structural analysis of O-glycosidically linked carbohydrate chains. 381 refs.; 44 figs.; 24 tabs.; 7 schemes

  20. Quantitative analysis of water heavy by NMR spectroscopy

    International Nuclear Information System (INIS)

    Gomez Gil, V.

    1975-01-01

    Nuclear Magnetic Resonance has been applied to a wide variety of quantitative problems. A typical example has been the determination of isotopic composition. In this paper two different analytical methods for the determination of water in deuterium oxide are described. The first one, employs acetonitril as an internal standard compound and in the second one calibration curve of signal integral curve versus amount of D 2 O is constructed. Both methods give results comparable to those of mass spectrometry of IR spectroscopy. (Author) 5 refs

  1. Vibrational spectroscopy and structural analysis of complex uranium compounds (review)

    International Nuclear Information System (INIS)

    Umreiko, D.S.; Nikanovich, M.V.

    1985-01-01

    The paper reports on the combined application of experimental and theoretical methods of vibrational spectroscopy together with low-temperature luminescence data to determine the characteristic features of the formation and structure of complex systems, not only containing ligands directly coordinated to the CA uranium, but also associated with the extraspherical polyatomic electrically charged particles: organic cations. These include uranyl complexes and heterocyclical amines. Studied here were compounds of tetra-halouranylates with pyridine and its derivates, as well as dipyridyl, quinoline and phenanthroline. Structural schemes are also proposed for other uranyl complexes with protonated heterocyclical amines with a more complicated composition, which correctly reflect their spectroscopic properties

  2. Two-Dimensional Raman Correlation Spectroscopy Study of Poly[(R)-3-hydroxybutyrate- co-(R)-3-hydroxyhexanoate] Copolymers.

    Science.gov (United States)

    Noda, Isao; Roy, Anjan; Carriere, James; Sobieski, Brian J; Chase, D Bruce; Rabolt, John F

    2017-07-01

    Two-dimensional correlation analysis was applied to the time-dependent evolution of Raman spectra during the isothermal crystallization of bioplastic, poly[(R)-3-hydroxybutyrate- co-(R)-3-hydroxyhexanoate] or PHBHx copolymer. Simultaneous Raman measurement of both carbonyl stretching and low-frequency crystalline lattice mode regions made it possible to carry out the highly informative hetero-mode correlation analysis. The crystallization process of PHBHx involves: (1) the early nucleation stage; (2) the primary growth of well-ordered crystals of PHBHx; and (3) the secondary crystal growth phase. The latter stage probably occurs in the inter-lamellar region, with an accompanying reduction of the amorphous component, which occurs most dominantly during the primary crystal growth. The development of a fully formed lamellar structure comprising the 2 1 helices occurs after the primary growth of crystals. In the later stage, secondary inter lamellar space crystallization occurs after the full formation of packed helices comprising the lamellae.

  3. The diffusion dynamics of PEGylated liposomes in the intact vitreous of the ex vivo porcine eye: A fluorescence correlation spectroscopy and biodistribution study

    DEFF Research Database (Denmark)

    Eriksen, Anne Zebitz; Brewer, Jonathan; Andresen, Thomas Lars

    2017-01-01

    correlation spectroscopy (FCS) to determine liposome diffusion coefficients in the intact vitreous (DVit) of ex vivo porcine eyes using a modified Miyake-Apple technique to minimize the disruption of the vitreous fine structure. We chose to investigate whether the zeta potential of polyethylene glycol...

  4. Brain oxidative metabolism of the newborn dog: correlation between 31P NMR spectroscopy and pyridine nucleotide redox state.

    Science.gov (United States)

    Mayevsky, A; Nioka, S; Subramanian, V H; Chance, B

    1988-04-01

    The effects of both anoxia and short- and long-term hypoxia on brain oxidative metabolism were studied in newborn dogs. Oxidative metabolism was evaluated by two independent measures: in vivo continuous monitoring of mitochondrial NADH redox state and energy stores as calculated from the phosphocreatine (PCr)/Pi levels measured by 31P nuclear magnetic resonance (NMR) spectroscopy. The hemodynamic response to low oxygen supply was further evaluated by measuring the changes in the reflected light intensity at 366 nm (the excitation wavelength for NADH). The animal underwent surgery and was prepared for monitoring of the two signals (NADH and PCr/Pi). It was then placed inside a Phosphoenergetics 260-80 NMR spectrometer magnet with a 31-cm bore. Each animal (1-21 days old) was exposed to short-term anoxia or hypoxia as well as to long-term hypoxia (1-2 h). The results can be summarized as follow: (a) In the normoxic brain, the ratio between PCr and Pi was greater than 1 (1.2-1.4), while under hypoxia or asphyxia a significant decrease that was correlated to the FiO2 levels was recorded. (b) A clear correlation was found between the decrease in PCr/Pi values and the increased NADH redox state developed under decreased O2 supply to the brain. (c) Exposing the animal to moderately long-term hypoxia led to a stabilized low-energy state of the brain with a good recovery after rebreathing normal air. (d) Under long-term and severe hypoxia, the microcirculatory autoregulatory mechanism was damaged and massive vasoconstriction was optically recorded simultaneously with a significant decrease in PCr/Pi values.(ABSTRACT TRUNCATED AT 250 WORDS)

  5. Dynamics-based selective 2D 1H/1H chemical shift correlation spectroscopy under ultrafast MAS conditions

    Science.gov (United States)

    Zhang, Rongchun; Ramamoorthy, Ayyalusamy

    2015-05-01

    Dynamics plays important roles in determining the physical, chemical, and functional properties of a variety of chemical and biological materials. However, a material (such as a polymer) generally has mobile and rigid regions in order to have high strength and toughness at the same time. Therefore, it is difficult to measure the role of mobile phase without being affected by the rigid components. Herein, we propose a highly sensitive solid-state NMR approach that utilizes a dipolar-coupling based filter (composed of 12 equally spaced 90° RF pulses) to selectively measure the correlation of 1H chemical shifts from the mobile regions of a material. It is interesting to find that the rotor-synchronized dipolar filter strength decreases with increasing inter-pulse delay between the 90° pulses, whereas the dipolar filter strength increases with increasing inter-pulse delay under static conditions. In this study, we also demonstrate the unique advantages of proton-detection under ultrafast magic-angle-spinning conditions to enhance the spectral resolution and sensitivity for studies on small molecules as well as multi-phase polymers. Our results further demonstrate the use of finite-pulse radio-frequency driven recoupling pulse sequence to efficiently recouple weak proton-proton dipolar couplings in the dynamic regions of a molecule and to facilitate the fast acquisition of 1H/1H correlation spectrum compared to the traditional 2D NOESY (Nuclear Overhauser effect spectroscopy) experiment. We believe that the proposed approach is beneficial to study mobile components in multi-phase systems, such as block copolymers, polymer blends, nanocomposites, heterogeneous amyloid mixture of oligomers and fibers, and other materials.

  6. Dynamics-based selective 2D 1H/1H chemical shift correlation spectroscopy under ultrafast MAS conditions

    International Nuclear Information System (INIS)

    Zhang, Rongchun; Ramamoorthy, Ayyalusamy

    2015-01-01

    Dynamics plays important roles in determining the physical, chemical, and functional properties of a variety of chemical and biological materials. However, a material (such as a polymer) generally has mobile and rigid regions in order to have high strength and toughness at the same time. Therefore, it is difficult to measure the role of mobile phase without being affected by the rigid components. Herein, we propose a highly sensitive solid-state NMR approach that utilizes a dipolar-coupling based filter (composed of 12 equally spaced 90° RF pulses) to selectively measure the correlation of 1 H chemical shifts from the mobile regions of a material. It is interesting to find that the rotor-synchronized dipolar filter strength decreases with increasing inter-pulse delay between the 90° pulses, whereas the dipolar filter strength increases with increasing inter-pulse delay under static conditions. In this study, we also demonstrate the unique advantages of proton-detection under ultrafast magic-angle-spinning conditions to enhance the spectral resolution and sensitivity for studies on small molecules as well as multi-phase polymers. Our results further demonstrate the use of finite-pulse radio-frequency driven recoupling pulse sequence to efficiently recouple weak proton-proton dipolar couplings in the dynamic regions of a molecule and to facilitate the fast acquisition of 1 H/ 1 H correlation spectrum compared to the traditional 2D NOESY (Nuclear Overhauser effect spectroscopy) experiment. We believe that the proposed approach is beneficial to study mobile components in multi-phase systems, such as block copolymers, polymer blends, nanocomposites, heterogeneous amyloid mixture of oligomers and fibers, and other materials

  7. Neural correlates of own- and other-race face recognition in children: a functional near-infrared spectroscopy study.

    Science.gov (United States)

    Ding, Xiao Pan; Fu, Genyue; Lee, Kang

    2014-01-15

    The present study used the functional Near-infrared Spectroscopy (fNIRS) methodology to investigate the neural correlates of elementary school children's own- and other-race face processing. An old-new paradigm was used to assess children's recognition ability of own- and other-race faces. FNIRS data revealed that other-race faces elicited significantly greater [oxy-Hb] changes than own-race faces in the right middle frontal gyrus and inferior frontal gyrus regions (BA9) and the left cuneus (BA18). With increased age, the [oxy-Hb] activity differences between own- and other-race faces, or the neural other-race effect (NORE), underwent significant changes in these two cortical areas: at younger ages, the neural response to the other-race faces was modestly greater than that to the own-race faces, but with increased age, the neural response to the own-race faces became increasingly greater than that to the other-race faces. Moreover, these areas had strong regional functional connectivity with a swath of the cortical regions in terms of the neural other-race effect that also changed with increased age. We also found significant and positive correlations between the behavioral other-race effect (reaction time) and the neural other-race effect in the right middle frontal gyrus and inferior frontal gyrus regions (BA9). These results taken together suggest that children, like adults, devote different amounts of neural resources to processing own- and other-race faces, but the size and direction of the neural other-race effect and associated functional regional connectivity change with increased age. © 2013.

  8. Extraction of diffuse correlation spectroscopy flow index by integration of Nth-order linear model with Monte Carlo simulation

    Science.gov (United States)

    Shang, Yu; Li, Ting; Chen, Lei; Lin, Yu; Toborek, Michal; Yu, Guoqiang

    2014-05-01

    Conventional semi-infinite solution for extracting blood flow index (BFI) from diffuse correlation spectroscopy (DCS) measurements may cause errors in estimation of BFI (αDB) in tissues with small volume and large curvature. We proposed an algorithm integrating Nth-order linear model of autocorrelation function with the Monte Carlo simulation of photon migrations in tissue for the extraction of αDB. The volume and geometry of the measured tissue were incorporated in the Monte Carlo simulation, which overcome the semi-infinite restrictions. The algorithm was tested using computer simulations on four tissue models with varied volumes/geometries and applied on an in vivo stroke model of mouse. Computer simulations shows that the high-order (N ≥ 5) linear algorithm was more accurate in extracting αDB (errors values of errors in extracting αDB were similar to those reconstructed from the noise-free DCS data. In addition, the errors in extracting the relative changes of αDB using both linear algorithm and semi-infinite solution were fairly small (errors < ±2.0%) and did not rely on the tissue volume/geometry. The experimental results from the in vivo stroke mice agreed with those in simulations, demonstrating the robustness of the linear algorithm. DCS with the high-order linear algorithm shows the potential for the inter-subject comparison and longitudinal monitoring of absolute BFI in a variety of tissues/organs with different volumes/geometries.

  9. Diffuse correlation spectroscopy (DCS) study of blood flow changes during low level laser therapy (LLLT): a preliminary report

    Science.gov (United States)

    Soni, Sagar; Wang, Xinlong; Liu, Hanli; Tian, Fenghua

    2017-02-01

    Photobiomodulation with low-power, high-fluence light in the near-infrared range (600-1100nm), also known as low level laser therapy (LLLT), has been used for promoting healing of wounds, reducing pain, and so on. Understanding its physiological effect is essential for treatment optimization and evaluation. In this study, we used diffuse correlation spectroscopy (DCS) to investigate the changes of regional blood flow in skeletal muscle induced by a single session of LLLT. DCS is an emerging optical modality to probe microvascular blood flow in human tissues in vivo. We have developed a software-based autocorrelator system with the benefits such as flexibility in raw photon count data processing, portability and low cost. LLLT was administered at the human forearm with a 1064-nm, continuous-wave laser. The emitting power was 3.4 W in an area of 13.6 cm2, corresponding to 0.25W/cm2 irradiance. The emitting duration was 10 minutes. Eight healthy adults of any ethnic background, in an age range of 18-40 years old were included. The results indicate that LLLT causes reliable changes in regional blood flow. However, it remains unclear whether these changes are physiological or attributed to the heating effect of the stimulation laser.

  10. Effects of surface functionalization on the adsorption of human serum albumin onto nanoparticles – a fluorescence correlation spectroscopy study

    Directory of Open Access Journals (Sweden)

    Pauline Maffre

    2014-11-01

    Full Text Available By using fluorescence correlation spectroscopy (FCS, we have studied the adsorption of human serum albumin (HSA onto Fe–Pt nanoparticles (NPs, 6 nm radius, CdSe/ZnS quantum dots (QDs, 5 nm radius and Au and Ag nanoclusters (1–4 nm radius, which are enshrouded by various water-solubilizing surface layers exposing different chemical functional groups (carboxyl, amino and both, thereby endowing the NPs with different surface charges. We have also measured the effects of modified surface functionalizations on the protein via succinylation and amination. A step-wise increase in hydrodynamic radius with protein concentration was always observed, revealing formation of protein monolayers coating the NPs, independent of their surface charge. The differences in the thickness of the protein corona were rationalized in terms of the different orientations in which HSA adsorbs onto the NPs. The midpoints of the binding transition, which quantifies the affinity of HSA toward the NP, were observed to differ by almost four orders of magnitude. These variations can be understood in terms of specific Coulombic interactions between the proteins and the NP surfaces.

  11. Correlations between Diffusion Tensor Imaging (DTI and Magnetic Resonance Spectroscopy (1H MRS in schizophrenic patients and normal controls

    Directory of Open Access Journals (Sweden)

    Ng Johnny

    2007-06-01

    Full Text Available Abstract Background Evidence suggests that white matter integrity may play an underlying pathophysiological role in schizophrenia. N-acetylaspartate (NAA, as measured by Magnetic Resonance Spectroscopy (MRS, is a neuronal marker and is decreased in white matter lesions and regions of axonal loss. It has also been found to be reduced in the prefrontal and temporal regions in patients with schizophrenia. Diffusion Tensor Imaging (DTI allows one to measure the orientations of axonal tracts as well as the coherence of axonal bundles. DTI is thus sensitive to demyelination and other structural abnormalities. DTI has also shown abnormalities in these regions. Methods MRS and DTI were obtained on 42 healthy subjects and 40 subjects with schizophrenia. The data was analyzed using regions of interests in the Dorso-Lateral Prefrontal white matter, Medial Temporal white matter and Occipital white matter using both imaging modalities. Results NAA was significantly reduced in the patient population in the Medial Temporal regions. DTI anisotropy indices were also reduced in the same Medial Temporal regions. NAA and DTI-anisotropy indices were also correlated in the left medial temporal region. Conclusion Our results implicate defects in the medial temporal white matter in patients with schizophrenia. Moreover, MRS and DTI are complementary modalities for the study of white matter disruptions in patients with schizophrenia.

  12. Local mobility in lipid domains of supported bilayers characterized by atomic force microscopy and fluorescence correlation spectroscopy.

    Energy Technology Data Exchange (ETDEWEB)

    Frankel, Daniel J.; Buranda, T. (University of New Mexico, Albuquerque, NM); Burns, Alan Richard

    2005-01-01

    Fluorescence correlation spectroscopy (FCS) is used to examine mobility of labeled probes at specific sites in supported bilayers consisting of 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC) lipid domains in 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC). Those sites are mapped beforehand with simultaneous atomic force microscopy and submicron confocal fluorescence imaging, allowing characterization of probe partitioning between gel DPPC and disordered liquid DOPC domains with corresponding topography of domain structure. We thus examine the relative partitioning and mobility in gel and disordered liquid phases for headgroup- and tailgroup-labeled GM1 ganglioside probes and for headgroup- and tailgroup-labeled phospholipid probes. For the GM1 probes, large differences in mobility between fluid and gel domains are observed; whereas unexpected mobility is observed in submicron gel domains for the phospholipid probes. We attribute the latter to domain heterogeneities that could be induced by the probe. Furthermore, fits to the FCS data for the phospholipid probes in the DOPC fluid phase require two components (fast and slow). Although proximity to the glass substrate may be a factor, local distortion of the probe by the fluorophore could also be important. Overall, we observe nonideal aspects of phospholipid probe mobility and partitioning that may not be restricted to supported bilayers.

  13. Cortical Actin Flow in T Cells Quantified by Spatio-temporal Image Correlation Spectroscopy of Structured Illumination Microscopy Data.

    Science.gov (United States)

    Ashdown, George; Pandžić, Elvis; Cope, Andrew; Wiseman, Paul; Owen, Dylan

    2015-12-17

    Filamentous-actin plays a crucial role in a majority of cell processes including motility and, in immune cells, the formation of a key cell-cell interaction known as the immunological synapse. F-actin is also speculated to play a role in regulating molecular distributions at the membrane of cells including sub-membranous vesicle dynamics and protein clustering. While standard light microscope techniques allow generalized and diffraction-limited observations to be made, many cellular and molecular events including clustering and molecular flow occur in populations at length-scales far below the resolving power of standard light microscopy. By combining total internal reflection fluorescence with the super resolution imaging method structured illumination microscopy, the two-dimensional molecular flow of F-actin at the immune synapse of T cells was recorded. Spatio-temporal image correlation spectroscopy (STICS) was then applied, which generates quantifiable results in the form of velocity histograms and vector maps representing flow directionality and magnitude. This protocol describes the combination of super-resolution imaging and STICS techniques to generate flow vectors at sub-diffraction levels of detail. This technique was used to confirm an actin flow that is symmetrically retrograde and centripetal throughout the periphery of T cells upon synapse formation.

  14. A nu-space for image correlation spectroscopy: characterization and application to measure protein transport in live cells

    Science.gov (United States)

    Potvin-Trottier, Laurent; Chen, Lingfeng; Horwitz, Alan Rick; Wiseman, Paul W.

    2013-08-01

    We introduce a new generalized theoretical framework for image correlation spectroscopy (ICS). Using this framework, we extend the ICS method in time-frequency (ν, nu) space to map molecular flow of fluorescently tagged proteins in individual living cells. Even in the presence of a dominant immobile population of fluorescent molecules, nu-space ICS (nICS) provides an unbiased velocity measurement, as well as the diffusion coefficient of the flow, without requiring filtering. We also develop and characterize a tunable frequency-filter for spatio-temporal ICS (STICS) that allows quantification of the density, the diffusion coefficient and the velocity of biased diffusion. We show that the techniques are accurate over a wide range of parameter space in computer simulation. We then characterize the retrograde flow of adhesion proteins (α6- and αLβ2-GFP integrins and mCherry-paxillin) in CHO.B2 cells plated on laminin and intercellular adhesion molecule 1 (ICAM-1) ligands respectively. STICS with a tunable frequency filter, in conjunction with nICS, measures two new transport parameters, the density and transport bias coefficient (a measure of the diffusive character of a flow/biased diffusion), showing that molecular flow in this cell system has a significant diffusive component. Our results suggest that the integrin-ligand interaction, along with the internal myosin-motor generated force, varies for different integrin-ligand pairs, consistent with previous results.

  15. Probing Temperature- and pH-Dependent Binding between Quantum Dots and Bovine Serum Albumin by Fluorescence Correlation Spectroscopy

    Directory of Open Access Journals (Sweden)

    Zonghua Wang

    2017-04-01

    Full Text Available Luminescent quantum dots (QDs with unique optical properties have potential applications in bio-imaging. The interaction between QDs and bio-molecules is important to the biological effect of QDs in vivo. In this paper, we have employed fluorescence correlation spectroscopy (FCS to probe the temperature- and pH-dependent interactions between CdSe QDs with carboxyl (QDs-COOH and bovine serum albumin (BSA in buffer solutions. The results have shown that microscopic dissociation constant K′D is in the range of (1.5 ± 0.2 × 10−5 to (8.6 ± 0.1 × 10−7 M, the Hill coefficient n is from 0.4 to 2.3, and the protein corona thickness is from 3.0 to 9.4 nm. Variable-temperature measurements have shown both negative values of ∆H and ∆S for BSA adsorption on QDs-COOH, while pH has a profound effect on the adsorption. Additional, FCS measurement QDs-COOH and proteins in whole mice serum and plasma samples has also been conducted. Finally, simulation results have shown four favored QD binding sites in BSA.

  16. The Effect of a Fluorophore Photo-Physics on the Lipid Vesicle Diffusion Coefficient Studied by Fluorescence Correlation Spectroscopy.

    Science.gov (United States)

    Drabik, Dominik; Przybyło, Magda; Sikorski, Aleksander; Langner, Marek

    2016-03-01

    Fluorescence Correlation Spectroscopy (FCS) is a technique, which allows determination of the diffusion coefficient and concentration of fluorescent objects suspended in the solution. The measured parameter is the fluctuation of the fluorescence signal emitted by diffusing molecules. When 100 nm DOPC vesicles labeled with various fluorescent dyes (Fluorescein-PE, NBD-PE, Atto488 DOPE or βBodipy FL) were measured, different values of diffusion coefficients have been obtained. These diffusion coefficients were different from the expected values measured using the dynamic light scattering method (DLS). The FCS was initially developed for solutions containing small fluorescent molecules therefore the observed inconsistency may result from the nature of vesicle suspension itself. The duration of the fluorescence signal may depend on the following factors: the exposure time of the labeled object to the excitation beam, the photo-physical properties (e.g., stability) of a fluorophore, the theoretical model used for the calculations of the diffusion coefficient and optical properties of the vesicle suspension. The diffusion coefficients determined for differently labeled liposomes show that its dependence on vesicle size and quantity of fluorescent probed used for labeling was significant demonstrating that the fluorescence properties of the fluorophore itself (bleaching and/or blinking) were critical factors for a correct outcome of FCS experiment. The new, based on combined FCS and DLS measurements, method for the determination of the focal volume prove itself to be useful for the evaluation of a fluorescence dye with respect to its applicability for FCS experiment.

  17. Cross-correlation analysis of Ge/Li/ spectra

    International Nuclear Information System (INIS)

    MacDonald, R.; Robertson, A.; Kennett, T.J.; Prestwich, W.V.

    1974-01-01

    A sensitive technique is proposed for activation analysis using cross-correlation and improved spectral orthogonality achieved through use of a rectangular zero area digital filter. To test the accuracy and reliability of the cross-correlation procedure five spectra obtained with a Ge/Li detector were combined in different proportions. Gaussian distributed statistics were then added to the composite spectra by means of a pseudo-random number generator. The basis spectra used were 76 As, 82 Br, 72 Ga, 77 Ge, and room background. In general, when the basis spectra were combined in roughly comparable proportions the accuracy of the techique proved to be excelent (>1%). However, of primary importance was the ability of the correlation technique to identify low intensity components in the presence of high intensity components. It was found that the detection threshold for Ge, for example, was not reached until the Ge content in the unfiltered spectrum was <0.16%. (T.G.)

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

    Directory of Open Access Journals (Sweden)

    Kučević Denis S.

    2017-01-01

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

  19. Laser-induced breakdown spectroscopy analysis of minerals: Carbonates and silicates

    International Nuclear Information System (INIS)

    McMillan, Nancy J.; Harmon, Russell S.; De Lucia, Frank C.; Miziolek, Andrzej M.

    2007-01-01

    Laser-induced breakdown spectroscopy (LIBS) provides an alternative chemical analytical technique that obviates the issues of sample preparation and sample destruction common to most laboratory-based analytical methods. This contribution explores the capability of LIBS analysis to identify carbonate and silicate minerals rapidly and accurately. Fifty-two mineral samples (18 carbonates, 9 pyroxenes and pyroxenoids, 6 amphiboles, 8 phyllosilicates, and 11 feldspars) were analyzed by LIBS. Two composite broadband spectra (averages of 10 shots each) were calculated for each sample to produce two databases each containing the composite LIBS spectra for the same 52 mineral samples. By using correlation coefficients resulting from the regression of the intensities of pairs of LIBS spectra, all 52 minerals were correctly identified in the database. If the LIBS spectra of each sample were compared to a database containing the other 51 minerals, 65% were identified as a mineral of similar composition from the same mineral family. The remaining minerals were misidentified for two reasons: 1) the mineral had high concentrations of an element not present in the database; and 2) the mineral was identified as a mineral with similar elemental composition from a different family. For instance, the Ca-Mg carbonate dolomite was misidentified as the Ca-Mg silicate diopside. This pilot study suggests that LIBS has promise in mineral identification and in situ analysis of minerals that record geological processes

  20. Near-infrared spectroscopy (NIRS evaluation and regional analysis of Chinese faba bean (Vicia faba L.

    Directory of Open Access Journals (Sweden)

    Jiaojiao Wang

    2014-02-01

    Full Text Available To analyze the nutritional composition of faba bean (Vicia faba L. seed, estimation models were developed for protein, starch, oil, and total polyphenol using near infrared spectroscopy (NIRS. Two hundred and forty-four samples from twelve producing regions were measured in both milled powder and intact seed forms. Partial least squares (PLS regression was applied for model development. The model based on ground seed powder was generally superior to that based on the intact seed. The optimal seed powder-based models for protein, starch, and total polyphenol had coefficients of correlation (r2 of 0.97, 0.93 and 0.89, respectively. The relationship between nutrient contents and twelve producing areas was determined by two-step cluster analysis. Three distinct groupings were obtained with region-constituent features, i.e., Group 1 of high oil, Group 2 of high protein, and Group 3 of high starch as well as total polyphenol. The clustering accuracy was 79.5%. Moreover, the nutrition contents were affected by seeding date, longitude, latitude, and altitude of plant location. Cluster analysis revealed that the differences in the seed were strongly influenced by geographical factors.

  1. Quantitative analysis of lead in aqueous solutions by ultrasonic nebulizer assisted laser induced breakdown spectroscopy

    Science.gov (United States)

    Zhong, Shi-Lei; Lu, Yuan; Kong, Wei-Jin; Cheng, Kai; Zheng, Ronger

    2016-08-01

    In this study, an ultrasonic nebulizer unit was established to improve the quantitative analysis ability of laser-induced breakdown spectroscopy (LIBS) for liquid samples detection, using solutions of the heavy metal element Pb as an example. An analytical procedure was designed to guarantee the stability and repeatability of the LIBS signal. A series of experiments were carried out strictly according to the procedure. The experimental parameters were optimized based on studies of the pulse energy influence and temporal evolution of the emission features. The plasma temperature and electron density were calculated to confirm the LTE state of the plasma. Normalizing the intensities by background was demonstrated to be an appropriate method in this work. The linear range of this system for Pb analysis was confirmed over a concentration range of 0-4,150ppm by measuring 12 samples with different concentrations. The correlation coefficient of the fitted calibration curve was as high as 99.94% in the linear range, and the LOD of Pb was confirmed as 2.93ppm. Concentration prediction experiments were performed on a further six samples. The excellent quantitative ability of the system was demonstrated by comparison of the real and predicted concentrations of the samples. The lowest relative error was 0.043% and the highest was no more than 7.1%.

  2. Wavenumber selection based analysis in Raman spectroscopy improves skin cancer diagnostic specificity at high sensitivity levels (Conference Presentation)

    Science.gov (United States)

    Zhao, Jianhua; Zeng, Haishan; Kalia, Sunil; Lui, Harvey

    2017-02-01

    Background: Raman spectroscopy is a non-invasive optical technique which can measure molecular vibrational modes within tissue. A large-scale clinical study (n = 518) has demonstrated that real-time Raman spectroscopy could distinguish malignant from benign skin lesions with good diagnostic accuracy; this was validated by a follow-up independent study (n = 127). Objective: Most of the previous diagnostic algorithms have typically been based on analyzing the full band of the Raman spectra, either in the fingerprint or high wavenumber regions. Our objective in this presentation is to explore wavenumber selection based analysis in Raman spectroscopy for skin cancer diagnosis. Methods: A wavenumber selection algorithm was implemented using variably-sized wavenumber windows, which were determined by the correlation coefficient between wavenumbers. Wavenumber windows were chosen based on accumulated frequency from leave-one-out cross-validated stepwise regression or least and shrinkage selection operator (LASSO). The diagnostic algorithms were then generated from the selected wavenumber windows using multivariate statistical analyses, including principal component and general discriminant analysis (PC-GDA) and partial least squares (PLS). A total cohort of 645 confirmed lesions from 573 patients encompassing skin cancers, precancers and benign skin lesions were included. Lesion measurements were divided into training cohort (n = 518) and testing cohort (n = 127) according to the measurement time. Result: The area under the receiver operating characteristic curve (ROC) improved from 0.861-0.891 to 0.891-0.911 and the diagnostic specificity for sensitivity levels of 0.99-0.90 increased respectively from 0.17-0.65 to 0.20-0.75 by selecting specific wavenumber windows for analysis. Conclusion: Wavenumber selection based analysis in Raman spectroscopy improves skin cancer diagnostic specificity at high sensitivity levels.

  3. Raman spectroscopy combined with principal component analysis and k nearest neighbour analysis for non-invasive detection of colon cancer

    Science.gov (United States)

    Li, Xiaozhou; Yang, Tianyue; Li, Siqi; Wang, Deli; Song, Youtao; Zhang, Su

    2016-03-01

    This paper attempts to investigate the feasibility of using Raman spectroscopy for the diagnosis of colon cancer. Serum taken from 75 healthy volunteers, 65 colon cancer patients and 60 post-operation colon cancer patients was measured in this experiment. In the Raman spectra of all three groups, the Raman peaks at 750, 1083, 1165, 1321, 1629 and 1779 cm-1 assigned to nucleic acids, amino acids and chromophores were consistently observed. All of these six Raman peaks were observed to have statistically significant differences between groups. For quantitative analysis, the multivariate statistical techniques of principal component analysis (PCA) and k nearest neighbour analysis (KNN) were utilized to develop diagnostic algorithms for classification. In PCA, several peaks in the principal component (PC) loadings spectra were identified as the major contributors to the PC scores. Some of the peaks in the PC loadings spectra were also reported as characteristic peaks for colon tissues, which implies correlation between peaks in PC loadings spectra and those in the original Raman spectra. KNN was also performed on the obtained PCs, and a diagnostic accuracy of 91.0% and a specificity of 92.6% were achieved.

  4. Raman spectroscopy combined with principal component analysis and k nearest neighbour analysis for non-invasive detection of colon cancer

    International Nuclear Information System (INIS)

    Li, Xiaozhou; Yang, Tianyue; Wang, Deli; Li, Siqi; Song, Youtao; Zhang, Su

    2016-01-01

    This paper attempts to investigate the feasibility of using Raman spectroscopy for the diagnosis of colon cancer. Serum taken from 75 healthy volunteers, 65 colon cancer patients and 60 post-operation colon cancer patients was measured in this experiment. In the Raman spectra of all three groups, the Raman peaks at 750, 1083, 1165, 1321, 1629 and 1779 cm −1 assigned to nucleic acids, amino acids and chromophores were consistently observed. All of these six Raman peaks were observed to have statistically significant differences between groups. For quantitative analysis, the multivariate statistical techniques of principal component analysis (PCA) and k nearest neighbour analysis (KNN) were utilized to develop diagnostic algorithms for classification. In PCA, several peaks in the principal component (PC) loadings spectra were identified as the major contributors to the PC scores. Some of the peaks in the PC loadings spectra were also reported as characteristic peaks for colon tissues, which implies correlation between peaks in PC loadings spectra and those in the original Raman spectra. KNN was also performed on the obtained PCs, and a diagnostic accuracy of 91.0% and a specificity of 92.6% were achieved. (paper)

  5. In situ semi-quantitative analysis of polluted soils by laser-induced breakdown spectroscopy (LIBS).

    Science.gov (United States)

    Ismaël, Amina; Bousquet, Bruno; Michel-Le Pierrès, Karine; Travaillé, Grégoire; Canioni, Lionel; Roy, Stéphane

    2011-05-01

    Time-saving, low-cost analyses of soil contamination are required to ensure fast and efficient pollution removal and remedial operations. In this work, laser-induced breakdown spectroscopy (LIBS) has been successfully applied to in situ analyses of polluted soils, providing direct semi-quantitative information about the extent of pollution. A field campaign has been carried out in Brittany (France) on a site presenting high levels of heavy metal concentrations. Results on iron as a major component as well as on lead and copper as minor components are reported. Soil samples were dried and prepared as pressed pellets to minimize the effects of moisture and density on the results. LIBS analyses were performed with a Nd:YAG laser operating at 1064 nm, 60 mJ per 10 ns pulse, at a repetition rate of 10 Hz with a diameter of 500 μm on the sample surface. Good correlations were obtained between the LIBS signals and the values of concentrations deduced from inductively coupled plasma atomic emission spectroscopy (ICP-AES). This result proves that LIBS is an efficient method for optimizing sampling operations. Indeed, "LIBS maps" were established directly on-site, providing valuable assistance in optimizing the selection of the most relevant samples for future expensive and time-consuming laboratory analysis and avoiding useless analyses of very similar samples. Finally, it is emphasized that in situ LIBS is not described here as an alternative quantitative analytical method to the usual laboratory measurements but simply as an efficient time-saving tool to optimize sampling operations and to drastically reduce the number of soil samples to be analyzed, thus reducing costs. The detection limits of 200 ppm for lead and 80 ppm for copper reported here are compatible with the thresholds of toxicity; thus, this in situ LIBS campaign was fully validated for these two elements. Consequently, further experiments are planned to extend this study to other chemical elements and other

  6. Application of UV-visible absorption spectroscopy combined with two-dimensional correlation for insight into DOM fractions from native halophyte soils in a larger estuarine delta.

    Science.gov (United States)

    Wei, Huaibin; Yu, Huibin; Pan, Hongwei; Gao, Hongjie

    2018-05-01

    UV-visible absorption spectroscopy combined with principal component analysis (PCA) and two-dimensional correlation (2D correlation) is used to trace components of dissolved organic matter (DOM) extracted from soils in a larger estuarine delta and to investigate spatial variations of DOM fractions. Soil samples of different depths were collected from native halophyte soils along a saline gradient, i.e., Suaeda salsa Comm. (SSC), Chenopodium album Comm. (CAC), Phragmites australis Comm. (PAC), and Artemisia selengensis Comm. (ASC). Molecular weights of DOM within the SSC soil profile were the lowest, followed by the CAC, PAC, and ASC soil profiles. Humification degree of DOM within the ASC soil profile was the highest, followed by the PAC, SSC, and CAC soil profiles. DOM within the soil profiles mainly contained phenolic, carboxylic, microbial products, and aromatic and alkyl groups through the PCA, which presented the significant differentiation among the four native halophyte soil profiles. The 2D UV correlation spectra of DOM within the SSC soil profile indicated that the variations of the phenolic groups were the largest, followed by the carboxylic groups, microbial products, and humified organic materials according to the band changing order of 285 → 365 → 425 → 520 nm. The 2D UV correlation spectra of DOM within the CAC soil profiles determined that the decreasing order of the variations was phenolic groups > carboxylic groups > microbial products according the band changing order of 285 → 365 → 425 nm. The 2D UV correlation spectra of DOM within the PAC soil profile proved that the variations of the phenolic groups were larger than those of the carboxylic groups according to the band changing order of 285 → 365 nm. The 2D UV correlation spectra of DOM within the ASC soil profile demonstrated that the variations of the phenolic groups were larger than those of the other DOM fractions according to the broad cross-peak at

  7. Laser induced breakdown spectroscopy of the uranium including calcium. Time resolved measurement spectroscopic analysis (Contract research)

    International Nuclear Information System (INIS)

    Akaoka, Katsuaki; Maruyama, Youichiro; Oba, Masaki; Miyabe, Masabumi; Otobe, Haruyoshi; Wakaida, Ikuo

    2010-05-01

    For the remote analysis of low DF TRU (Decontamination Factor Transuranic) fuel, Laser Breakdown Spectroscopy (LIBS) was applied to uranium oxide including a small amount of calcium oxide. The characteristics, such as spectrum intensity and plasma excitation temperature, were measured using time-resolved spectroscopy. As a result, in order to obtain the stable intensity of calcium spectrum for the uranium spectrum, it was found out that the optimum observation delay time of spectrum is 4 microseconds or more after laser irradiation. (author)

  8. Windowed Multitaper Correlation Analysis of Multimodal Brain Monitoring Parameters

    Directory of Open Access Journals (Sweden)

    Rupert Faltermeier

    2015-01-01

    Full Text Available Although multimodal monitoring sets the standard in daily practice of neurocritical care, problem-oriented analysis tools to interpret the huge amount of data are lacking. Recently a mathematical model was presented that simulates the cerebral perfusion and oxygen supply in case of a severe head trauma, predicting the appearance of distinct correlations between arterial blood pressure and intracranial pressure. In this study we present a set of mathematical tools that reliably detect the predicted correlations in data recorded at a neurocritical care unit. The time resolved correlations will be identified by a windowing technique combined with Fourier-based coherence calculations. The phasing of the data is detected by means of Hilbert phase difference within the above mentioned windows. A statistical testing method is introduced that allows tuning the parameters of the windowing method in such a way that a predefined accuracy is reached. With this method the data of fifteen patients were examined in which we found the predicted correlation in each patient. Additionally it could be shown that the occurrence of a distinct correlation parameter, called scp, represents a predictive value of high quality for the patients outcome.

  9. Windowed multitaper correlation analysis of multimodal brain monitoring parameters.

    Science.gov (United States)

    Faltermeier, Rupert; Proescholdt, Martin A; Bele, Sylvia; Brawanski, Alexander

    2015-01-01

    Although multimodal monitoring sets the standard in daily practice of neurocritical care, problem-oriented analysis tools to interpret the huge amount of data are lacking. Recently a mathematical model was presented that simulates the cerebral perfusion and oxygen supply in case of a severe head trauma, predicting the appearance of distinct correlations between arterial blood pressure and intracranial pressure. In this study we present a set of mathematical tools that reliably detect the predicted correlations in data recorded at a neurocritical care unit. The time resolved correlations will be identified by a windowing technique combined with Fourier-based coherence calculations. The phasing of the data is detected by means of Hilbert phase difference within the above mentioned windows. A statistical testing method is introduced that allows tuning the parameters of the windowing method in such a way that a predefined accuracy is reached. With this method the data of fifteen patients were examined in which we found the predicted correlation in each patient. Additionally it could be shown that the occurrence of a distinct correlation parameter, called scp, represents a predictive value of high quality for the patients outcome.

  10. Message Correlation Analysis Tool for NOvA

    CERN Multimedia

    CERN. Geneva

    2012-01-01

    A complex running system, such as the NOvA online data acquisition, consists of a large number of distributed but closely interacting components. This paper describes a generic realtime correlation analysis and event identification engine, named Message Analyzer. Its purpose is to capture run time abnormalities and recognize system failures based on log messages from participating components. The initial design of analysis engine is driven by the DAQ of the NOvA experiment. The Message Analyzer performs filtering and pattern recognition on the log messages and reacts to system failures identified by associated triggering rules. The tool helps the system maintain a healthy running state and to minimize data corruption. This paper also describes a domain specific language that allows the recognition patterns and correlation rules to be specified in a clear and flexible way. In addition, the engine provides a plugin mechanism for users to implement specialized patterns or rules in generic languages such as C++.

  11. Message Correlation Analysis Tool for NOvA

    International Nuclear Information System (INIS)

    Lu Qiming; Biery, Kurt A; Kowalkowski, James B

    2012-01-01

    A complex running system, such as the NOvA online data acquisition, consists of a large number of distributed but closely interacting components. This paper describes a generic real-time correlation analysis and event identification engine, named Message Analyzer. Its purpose is to capture run time abnormalities and recognize system failures based on log messages from participating components. The initial design of analysis engine is driven by the data acquisition (DAQ) of the NOvA experiment. The Message Analyzer performs filtering and pattern recognition on the log messages and reacts to system failures identified by associated triggering rules. The tool helps the system maintain a healthy running state and to minimize data corruption. This paper also describes a domain specific language that allows the recognition patterns and correlation rules to be specified in a clear and flexible way. In addition, the engine provides a plugin mechanism for users to implement specialized patterns or rules in generic languages such as C++.

  12. Message correlation analysis tool for NOvA

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Qiming [Fermilab; Biery, Kurt A. [Fermilab; Kowalkowski, James B. [Fermilab

    2012-01-01

    A complex running system, such as the NOvA online data acquisition, consists of a large number of distributed but closely interacting components. This paper describes a generic real-time correlation analysis and event identification engine, named Message Analyzer. Its purpose is to capture run time abnormalities and recognize system failures based on log messages from participating components. The initial design of analysis engine is driven by the data acquisition (DAQ) of the NOvA experiment. The Message Analyzer performs filtering and pattern recognition on the log messages and reacts to system failures identified by associated triggering rules. The tool helps the system maintain a healthy running state and to minimize data corruption. This paper also describes a domain specific language that allows the recognition patterns and correlation rules to be specified in a clear and flexible way. In addition, the engine provides a plugin mechanism for users to implement specialized patterns or rules in generic languages such as C++.

  13. Qualitative and quantitative analysis of milk for the detection of adulteration by Laser Induced Breakdown Spectroscopy (LIBS).

    Science.gov (United States)

    Moncayo, S; Manzoor, S; Rosales, J D; Anzano, J; Caceres, J O

    2017-10-01

    The present work focuses on the development of a fast and cost effective method based on Laser Induced Breakdown Spectroscopy (LIBS) to the quality control, traceability and detection of adulteration in milk. Two adulteration cases have been studied; a qualitative analysis for the discrimination between different milk blends and quantification of melamine in adulterated toddler milk powder. Principal Component Analysis (PCA) and neural networks (NN) have been used to analyze LIBS spectra obtaining a correct classification rate of 98% with a 100% of robustness. For the quantification of melamine, two methodologies have been developed; univariate analysis using CN emission band and multivariate calibration NN model obtaining correlation coefficient (R 2 ) values of 0.982 and 0.999 respectively. The results of the use of LIBS technique coupled with chemometric analysis are discussed in terms of its potential use in the food industry to perform the quality control of this dairy product. Copyright © 2017 Elsevier Ltd. All rights reserved.

  14. Quantitative analysis of essential oils of Thymus daenensis using laser-induced fluorescence and Raman spectroscopy.

    Science.gov (United States)

    Khoshroo, H; Khadem, H; Bahreini, M; Tavassoli, S H; Hadian, J

    2015-11-10

    Laser-induced fluorescence and Raman spectroscopy are used for the investigation of different genotypes of Thymus daenensis native to the Ilam province of Iran. Different genotypes of T. daenensis essential oils, labeled T1 through T7, possess slight differences with regard to the composition of the thymol. The gas chromatography-mass spectrometry (GC-MS) method is performed to determine the concentration of each constituent as a reference method. The Raman spectra of different concentrations of pure thymol dissolved in hexane as standard samples are obtained via a laboratory prototype Raman spectroscopy setup for the calculation of the calibration curve. The regression coefficient and limit of detection are calculated. The possibility of the differentiation of different genotypes of T. daenensis is also examined by laser-induced fluorescence spectroscopy, although we do not know the exact amounts of their components. All the fluorescence spectral information is used jointly by cluster analysis to differentiate between 7 genotypes. Our results demonstrate the acceptable precision of Raman spectroscopy with GC-MS and corroborate the capacity of Raman spectroscopy in applications in the quantitative analysis field. Furthermore, the cluster analysis results show that laser-induced fluorescence spectroscopy is an acceptable technique for the rapid classification of different genotypes of T. daenensis without having any previous information of their exact amount of constituents. So, the ability to rapidly and nondestructively differentiate between genotypes makes it possible to efficiently select high-quality herbs from many samples.

  15. TARGETED PRINCIPLE COMPONENT ANALYSIS: A NEW MOTION ARTIFACT CORRECTION APPROACH FOR NEAR-INFRARED SPECTROSCOPY.

    Science.gov (United States)

    Yücel, Meryem A; Selb, Juliette; Cooper, Robert J; Boas, David A

    2014-03-01

    As near-infrared spectroscopy (NIRS) broadens its application area to different age and disease groups, motion artifacts in the NIRS signal due to subject movement is becoming an important challenge. Motion artifacts generally produce signal fluctuations that are larger than physiological NIRS signals, thus it is crucial to correct for them before obtaining an estimate of stimulus evoked hemodynamic responses. There are various methods for correction such as principle component analysis (PCA), wavelet-based filtering and spline interpolation. Here, we introduce a new approach to motion artifact correction, targeted principle component analysis (tPCA), which incorporates a PCA filter only on the segments of data identified as motion artifacts. It is expected that this will overcome the issues of filtering desired signals that plagues standard PCA filtering of entire data sets. We compared the new approach with the most effective motion artifact correction algorithms on a set of data acquired simultaneously with a collodion-fixed probe (low motion artifact content) and a standard Velcro probe (high motion artifact content). Our results show that tPCA gives statistically better results in recovering hemodynamic response function (HRF) as compared to wavelet-based filtering and spline interpolation for the Velcro probe. It results in a significant reduction in mean-squared error (MSE) and significant enhancement in Pearson's correlation coefficient to the true HRF. The collodion-fixed fiber probe with no motion correction performed better than the Velcro probe corrected for motion artifacts in terms of MSE and Pearson's correlation coefficient. Thus, if the experimental study permits, the use of a collodion-fixed fiber probe may be desirable. If the use of a collodion-fixed probe is not feasible, then we suggest the use of tPCA in the processing of motion artifact contaminated data.

  16. TARGETED PRINCIPLE COMPONENT ANALYSIS: A NEW MOTION ARTIFACT CORRECTION APPROACH FOR NEAR-INFRARED SPECTROSCOPY

    Science.gov (United States)

    YÜCEL, MERYEM A.; SELB, JULIETTE; COOPER, ROBERT J.; BOAS, DAVID A.

    2014-01-01

    As near-infrared spectroscopy (NIRS) broadens its application area to different age and disease groups, motion artifacts in the NIRS signal due to subject movement is becoming an important challenge. Motion artifacts generally produce signal fluctuations that are larger than physiological NIRS signals, thus it is crucial to correct for them before obtaining an estimate of stimulus evoked hemodynamic responses. There are various methods for correction such as principle component analysis (PCA), wavelet-based filtering and spline interpolation. Here, we introduce a new approach to motion artifact correction, targeted principle component analysis (tPCA), which incorporates a PCA filter only on the segments of data identified as motion artifacts. It is expected that this will overcome the issues of filtering desired signals that plagues standard PCA filtering of entire data sets. We compared the new approach with the most effective motion artifact correction algorithms on a set of data acquired simultaneously with a collodion-fixed probe (low motion artifact content) and a standard Velcro probe (high motion artifact content). Our results show that tPCA gives statistically better results in recovering hemodynamic response function (HRF) as compared to wavelet-based filtering and spline interpolation for the Velcro probe. It results in a significant reduction in mean-squared error (MSE) and significant enhancement in Pearson’s correlation coefficient to the true HRF. The collodion-fixed fiber probe with no motion correction performed better than the Velcro probe corrected for motion artifacts in terms of MSE and Pearson’s correlation coefficient. Thus, if the experimental study permits, the use of a collodion-fixed fiber probe may be desirable. If the use of a collodion-fixed probe is not feasible, then we suggest the use of tPCA in the processing of motion artifact contaminated data. PMID:25360181

  17. Analysis of Cell Phone Usage Using Correlation Techniques

    OpenAIRE

    T S R MURTHY; D. SIVA RAMA KRISHNA

    2011-01-01

    The present paper is a sample survey analysis, examined based on correlation techniques. The usage ofmobile phones is clearly almost un-avoidable these days and as such the authors have made a systematicsurvey through a well prepared questionnaire on making use of mobile phones to the maximum extent.These samples are various economical groups across a population of over one-lakh people. The resultsare scientifically categorized and interpreted to match the ground reality.

  18. Baryon Spectroscopy Through Partial-Wave Analysis and Meson Photoproduction

    International Nuclear Information System (INIS)

    Manley, D. Mark

    2016-01-01

    The principal goal of this project is the experimental and phenomenological study of baryon spectroscopy. The PI's group consists of himself and three graduate students. This final report summarizes research activities by the PI's group during the period 03/01/2015 to 08/14/2016. During this period, the PI co-authored 11 published journal papers and one proceedings article and presented three invited talks. The PI's general interest is the investigation of the baryon resonance spectrum up to masses of ~ 2 GeV. More detail is given on two research projects: Neutral Kaon Photoproduction and Partial-Wave Analyses of γp → η p, γn → η n, and γp → K"+ Λ.

  19. Spectroscopy for amateur astronomers recording, processing, analysis and interpretation

    CERN Document Server

    Trypsteen , Marc F M

    2017-01-01

    This accessible guide presents the astrophysical concepts behind astronomical spectroscopy, covering both the theory and the practical elements of recording, processing, analysing and interpreting your spectra. It covers astronomical objects, such as stars, planets, nebulae, novae, supernovae, and events such as eclipses and comet passages. Suitable for anyone with only a little background knowledge and access to amateur-level equipment, the guide's many illustrations, sketches and figures will help you understand and practise this scientifically important and growing field of amateur astronomy, up to the level of Pro-Am collaborations. Accessible to non-academics, it benefits many groups from novices and learners in astronomy clubs, to advanced students and teachers of astrophysics. This volume is the perfect companion to the Spectral Atlas for Amateur Astronomers, which provides detailed commented spectral profiles of more than 100 astronomical objects.

  20. Baryon Spectroscopy Through Partial-Wave Analysis and Meson Photoproduction

    Energy Technology Data Exchange (ETDEWEB)

    Manley, D. Mark [Kent State Univ., Kent, OH (United States)

    2016-09-08

    The principal goal of this project is the experimental and phenomenological study of baryon spectroscopy. The PI's group consists of himself and three graduate students. This final report summarizes research activities by the PI's group during the period 03/01/2015 to 08/14/2016. During this period, the PI co-authored 11 published journal papers and one proceedings article and presented three invited talks. The PI's general interest is the investigation of the baryon resonance spectrum up to masses of ~ 2 GeV. More detail is given on two research projects: Neutral Kaon Photoproduction and Partial-Wave Analyses of γp → η p, γn → η n, and γp → K⁺ Λ.

  1. Analysis of organic vapors with laser induced breakdown spectroscopy

    International Nuclear Information System (INIS)

    Nozari, Hadi; Tavassoli, Seyed Hassan; Rezaei, Fatemeh

    2015-01-01

    In this paper, laser induced breakdown spectroscopy (LIBS) is utilized in the study of acetone, ethanol, methanol, cyclohexane, and nonane vapors. Carbon, hydrogen, oxygen, and nitrogen atomic emission spectra have been recorded following laser-induced breakdown of the organic vapors that are mixed with air inside a quartz chamber at atmospheric pressure. The plasma is generated with focused, Q-switched Nd:YAG radiation at the wavelength of 1064 nm. The effects of ignition and vapor pressure are discussed in view of the appearance of the emission spectra. The recorded spectra are proportional to the vapor pressure in air. The hydrogen and oxygen contributions diminish gradually with consecutive laser-plasma events without gas flow. The results show that LIBS can be used to characterize organic vapor

  2. Spectroscopy analysis of spiropyran-merocyanine molecular transformation

    International Nuclear Information System (INIS)

    Delgado Macuil, R; Rojas Lopez, M; Orduna Diaz, A; Camacho Pernas, V

    2009-01-01

    Spiropyrans materials are very studied for their application in transduction systems for biosensors. In this work the protocol of generation of multi and mono layers films and the efficiency of the transduction system are analyzed. The analyses were based on UV/Vis and Infrared vibracional spectroscopy in Attenuated Total Reflexion mode (ATR). The films were deposited in glass substrates, using (3-Aminopropyl) trimethoxysilano like linker. The UV/Vis spectra show that the deposition protocol allows the generation of a homogenous film from the first layer. Similar results were observed in ATR. The efficiency of the films, when analyzing them after light UV irradiation, is greater in the samples with two and three layers of deposit, since its absorption peaks are most intense in UV as in ATR. The efficiency falls from the fourth deposit layer. In ATR the efficiency is assumed by the vibration of the NO bond at 1338 cm -1 .

  3. Structural Analysis of Spiropyran Polimers using ATR Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Delgado Macui, R; Rojas Lopez, M; Gayou, V L; Orduna Diaz, A [Centro de Investigacion en BiotecnologIa Aplicada del IPN, San Juan de los Molinos km. 1.5 Tepetitla de Lardizabal, A.P. 90700, Tlaxcala (Mexico)

    2006-01-01

    We have used infrared spectroscopy in attenuated total reflection (ATR) mode to analyze the interactions between the polymeric base and solvent with a photochromic material (spyropiran). We used cellulose acetate as polymeric base and the spyropiran; 1,3,3 trimethyl indoline-5-nitro benzopyrane. Thin films with different weight concentrations of SP were deposited in the polymeric base. The infrared spectra show bands whose frequencies are associated to several molecular bondings. It was observed a decreasing in intensity of absorbance for C = O stretching mode of the acetate group at 1720 cm{sup -1} and for C = C stretching mode for the main chain at 823 and 982 cm{sup -1} both associated to the presence of SP in polymeric films.

  4. Spectroscopy analysis of spiropyran-merocyanine molecular transformation

    Energy Technology Data Exchange (ETDEWEB)

    Delgado Macuil, R; Rojas Lopez, M; Orduna Diaz, A [Centro de Investigacion en BiotecnologIa Aplicada Del IPN, Tepetitla Tlaxcala Mexico C.P. 90700 (Mexico); Camacho Pernas, V, E-mail: rdmacuil@yahoo.com.m [Universidad Politecnica de Puebla, Puebla Mexico (Mexico)

    2009-05-01

    Spiropyrans materials are very studied for their application in transduction systems for biosensors. In this work the protocol of generation of multi and mono layers films and the efficiency of the transduction system are analyzed. The analyses were based on UV/Vis and Infrared vibracional spectroscopy in Attenuated Total Reflexion mode (ATR). The films were deposited in glass substrates, using (3-Aminopropyl) trimethoxysilano like linker. The UV/Vis spectra show that the deposition protocol allows the generation of a homogenous film from the first layer. Similar results were observed in ATR. The efficiency of the films, when analyzing them after light UV irradiation, is greater in the samples with two and three layers of deposit, since its absorption peaks are most intense in UV as in ATR. The efficiency falls from the fourth deposit layer. In ATR the efficiency is assumed by the vibration of the NO bond at 1338 cm{sup -1}.

  5. Analysis of organic vapors with laser induced breakdown spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Nozari, Hadi; Tavassoli, Seyed Hassan [Laser and Plasma Research Institute, Shahid Beheshti University, G. C, 1983963113 Evin, Tehran (Iran, Islamic Republic of); Rezaei, Fatemeh, E-mail: fatemehrezaei@kntu.ac.ir [Department of Physics, K. N. Toosi University of Technology, 15875-4416 Shariati, Tehran (Iran, Islamic Republic of)

    2015-09-15

    In this paper, laser induced breakdown spectroscopy (LIBS) is utilized in the study of acetone, ethanol, methanol, cyclohexane, and nonane vapors. Carbon, hydrogen, oxygen, and nitrogen atomic emission spectra have been recorded following laser-induced breakdown of the organic vapors that are mixed with air inside a quartz chamber at atmospheric pressure. The plasma is generated with focused, Q-switched Nd:YAG radiation at the wavelength of 1064 nm. The effects of ignition and vapor pressure are discussed in view of the appearance of the emission spectra. The recorded spectra are proportional to the vapor pressure in air. The hydrogen and oxygen contributions diminish gradually with consecutive laser-plasma events without gas flow. The results show that LIBS can be used to characterize organic vapor.

  6. Analysis of fresco by laser induced breakdown spectroscopy

    International Nuclear Information System (INIS)

    Caneve, L.; Diamanti, A.; Grimaldi, F.; Palleschi, G.; Spizzichino, V.; Valentini, F.

    2010-01-01

    The laser-based techniques have been shown to be a very powerful tool for artworks characterization and are used in the field of cultural heritage for the offered advantages of minimum invasiveness, in situ applicability and high sensitivity. Laser induced breakdown spectroscopy, in particular, has been applied in this field to many different kinds of ancient materials with successful results. In this work, a fragment of a Roman wall painting from the archaeological area of Pompeii has been investigated by LIBS. The sample elemental composition resulting from LIBS measurements suggested the presence of certain pigments. The ratio of the intensities of different lines related to some characteristic elements is proposed as an indicator for pigment recognition. The depth profiling permitted to put in evidence the presence of successive paint layers with different compositions. A comparison with the results obtained by the microscopy inspection of the sample has been done.

  7. Isotopic analysis of plutonium by optical spectroscopy; Analyse isotopique du plutonium par spectroscopie optique

    Energy Technology Data Exchange (ETDEWEB)

    Artaud, J; Chaput, M; Gerstenkorn, S [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1961-07-01

    Isotopic analysis of mixtures of plutonium 239 and 240 has been carried out by means of the photo-electric spectrometer Fabry-Perot, the source being a hollow cathode cooled by liquid nitrogen. This first research has been concerned with finding among the spectral lines given by the hollow cathode, those suitable for use in analysis. Actually, the relative precision is of the order of 2 per cent (for samples containing 3 per cent of {sup 240}Pu). The study of the reproducibility of the measurements should make it possible to increase the precision; the relative precision which can be expected from this method should be 1 per cent for mixtures containing 1 per cent of {sup 240}Pu. (author) [French] L'analyse isotopique des melanges de plutonium 239 et 240 a ete effectuee a l'aide du spectrometre photoelectrique Fabry-Perot, la source etant une cathode creuse refroidie a l'azote liquide. Ce premier travail a eu pour but de discerner parmi les raies spectrales emises par la cathode creuse, celles susceptibles de servir de raies d'analyse. Actuellement, la precision relative est de l'ordre de 2 pour cent (pour des echantillons contenant 3 pour cent de {sup 240}Pu). L'etude de la reproductibilite des mesures devrait permettre d'ameliorer la precision; la precision relative que l'on pourrait atteindre par cette methode serait de 1 pour cent pour des melanges contenant 1 pour cent de {sup 240}Pu. (auteur)

  8. Signal correlations in biomass combustion. An information theoretic analysis

    Energy Technology Data Exchange (ETDEWEB)

    Ruusunen, M.

    2013-09-01

    Increasing environmental and economic awareness are driving the development of combustion technologies to efficient biomass use and clean burning. To accomplish these goals, quantitative information about combustion variables is needed. However, for small-scale combustion units the existing monitoring methods are often expensive or complex. This study aimed to quantify correlations between flue gas temperatures and combustion variables, namely typical emission components, heat output, and efficiency. For this, data acquired from four small-scale combustion units and a large circulating fluidised bed boiler was studied. The fuel range varied from wood logs, wood chips, and wood pellets to biomass residue. Original signals and a defined set of their mathematical transformations were applied to data analysis. In order to evaluate the strength of the correlations, a multivariate distance measure based on information theory was derived. The analysis further assessed time-varying signal correlations and relative time delays. Ranking of the analysis results was based on the distance measure. The uniformity of the correlations in the different data sets was studied by comparing the 10-quantiles of the measured signal. The method was validated with two benchmark data sets. The flue gas temperatures and the combustion variables measured carried similar information. The strongest correlations were mainly linear with the transformed signal combinations and explicable by the combustion theory. Remarkably, the results showed uniformity of the correlations across the data sets with several signal transformations. This was also indicated by simulations using a linear model with constant structure to monitor carbon dioxide in flue gas. Acceptable performance was observed according to three validation criteria used to quantify modelling error in each data set. In general, the findings demonstrate that the presented signal transformations enable real-time approximation of the studied

  9. Analysis of input variables of an artificial neural network using bivariate correlation and canonical correlation

    International Nuclear Information System (INIS)

    Costa, Valter Magalhaes

    2011-01-01

    was trained and the results were satisfactory since the IEA-R1 Data Acquisition System reactor monitors 64 variables and, with a set of 9 input variables resulting from the correlation analysis, it was possible to monitor 51 variables using neural networks. (author)

  10. Silicon nitride grids are compatible with correlative negative staining electron microscopy and tip-enhanced Raman spectroscopy for use in the detection of micro-organisms.

    Science.gov (United States)

    Lausch, V; Hermann, P; Laue, M; Bannert, N

    2014-06-01

    Successive application of negative staining transmission electron microscopy (TEM) and tip-enhanced Raman spectroscopy (TERS) is a new correlative approach that could be used to rapidly and specifically detect and identify single pathogens including bioterrorism-relevant viruses in complex samples. Our objective is to evaluate the TERS-compatibility of commonly used electron microscopy (EM) grids (sample supports), chemicals and negative staining techniques and, if required, to devise appropriate alternatives. While phosphortungstic acid (PTA) is suitable as a heavy metal stain, uranyl acetate, paraformaldehyde in HEPES buffer and alcian blue are unsuitable due to their relatively high Raman scattering. Moreover, the low thermal stability of the carbon-coated pioloform film on copper grids (pioloform grids) negates their utilization. The silicon in the cantilever of the silver-coated atomic force microscope tip used to record TERS spectra suggested that Si-based grids might be employed as alternatives. From all evaluated Si-based TEM grids, the silicon nitride (SiN) grid was found to be best suited, with almost no background Raman signals in the relevant spectral range, a low surface roughness and good particle adhesion properties that could be further improved by glow discharge. Charged SiN grids have excellent particle adhesion properties. The use of these grids in combination with PTA for contrast in the TEM is suitable for subsequent analysis by TERS. The study reports fundamental modifications and optimizations of the negative staining EM method that allows a combination with near-field Raman spectroscopy to acquire a spectroscopic signature from nanoscale biological structures. This should facilitate a more precise diagnosis of single viral particles and other micro-organisms previously localized and visualized in the TEM. © 2014 The Society for Applied Microbiology.

  11. Correlative SEM SERS for quantitative analysis of dimer nanoparticles.

    Science.gov (United States)

    Timmermans, F J; Lenferink, A T M; van Wolferen, H A G M; Otto, C

    2016-11-14

    A Raman microscope integrated with a scanning electron microscope was used to investigate plasmonic structures by correlative SEM-SERS analysis. The integrated Raman-SEM microscope combines high-resolution electron microscopy information with SERS signal enhancement from selected nanostructures with adsorbed Raman reporter molecules. Correlative analysis is performed for dimers of two gold nanospheres. Dimers were selected on the basis of SEM images from multi aggregate samples. The effect of the orientation of the dimer with respect to the polarization state of the laser light and the effect of the particle gap size on the Raman signal intensity is observed. Additionally, calculations are performed to simulate the electric near field enhancement. These simulations are based on the morphologies observed by electron microscopy. In this way the experiments are compared with the enhancement factor calculated with near field simulations and are subsequently used to quantify the SERS enhancement factor. Large differences between experimentally observed and calculated enhancement factors are regularly detected, a phenomenon caused by nanoscale differences between the real and 'simplified' simulated structures. Quantitative SERS experiments reveal the structure induced enhancement factor, ranging from ∼200 to ∼20 000, averaged over the full nanostructure surface. The results demonstrate correlative Raman-SEM microscopy for the quantitative analysis of plasmonic particles and structures, thus enabling a new analytical method in the field of SERS and plasmonics.

  12. Cavity-enhanced Raman spectroscopy with optical feedback cw diode lasers for gas phase analysis and spectroscopy.

    Science.gov (United States)

    Salter, Robert; Chu, Johnny; Hippler, Michael

    2012-10-21

    A variant of cavity-enhanced Raman spectroscopy (CERS) is introduced, in which diode laser radiation at 635 nm is coupled into an external linear optical cavity composed of two highly reflective mirrors. Using optical feedback stabilisation, build-up of circulating laser power by 3 orders of magnitude occurs. Strong Raman signals are collected in forward scattering geometry. Gas phase CERS spectra of H(2), air, CH(4) and benzene are recorded to demonstrate the potential for analytical applications and fundamental molecular studies. Noise equivalent limits of detection in the ppm by volume range (1 bar sample) can be achieved with excellent linearity with a 10 mW excitation laser, with sensitivity increasing with laser power and integration time. The apparatus can be operated with battery powered components and can thus be very compact and portable. Possible applications include safety monitoring of hydrogen gas levels, isotope tracer studies (e.g., (14)N/(15)N ratios), observing isotopomers of hydrogen (e.g., radioactive tritium), and simultaneous multi-component gas analysis. CERS has the potential to become a standard method for sensitive gas phase Raman spectroscopy.

  13. Correlated Raman micro-spectroscopy and scanning electron microscopy analyses of flame retardants in environmental samples: a micro-analytical tool for probing chemical composition, origin and spatial distribution.

    Science.gov (United States)

    Ghosal, Sutapa; Wagner, Jeff

    2013-07-07

    We present correlated application of two micro-analytical techniques: scanning electron microscopy/energy dispersive X-ray spectroscopy (SEM/EDS) and Raman micro-spectroscopy (RMS) for the non-invasive characterization and molecular identification of flame retardants (FRs) in environmental dusts and consumer products. The SEM/EDS-RMS technique offers correlated, morphological, molecular, spatial distribution and semi-quantitative elemental concentration information at the individual particle level with micrometer spatial resolution and minimal sample preparation. The presented methodology uses SEM/EDS analyses for rapid detection of particles containing FR specific elements as potential indicators of FR presence in a sample followed by correlated RMS analyses of the same particles for characterization of the FR sub-regions and surrounding matrices. The spatially resolved characterization enabled by this approach provides insights into the distributional heterogeneity as well as potential transfer and exposure mechanisms for FRs in the environment that is typically not available through traditional FR analysis. We have used this methodology to reveal a heterogeneous distribution of highly concentrated deca-BDE particles in environmental dust, sometimes in association with identifiable consumer materials. The observed coexistence of deca-BDE with consumer material in dust is strongly indicative of its release into the environment via weathering/abrasion of consumer products. Ingestion of such enriched FR particles in dust represents a potential for instantaneous exposure to high FR concentrations. Therefore, correlated SEM/RMS analysis offers a novel investigative tool for addressing an area of important environmental concern.

  14. Isotope analysis of uranium by optical spectroscopy; Analyse isotopique de I'uranium par spectroscopie optique

    Energy Technology Data Exchange (ETDEWEB)

    Gerstenkorn, S [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1958-07-01

    Isotope analysis of uranium is made by means of hollow cathode lamp and Fabry-Perot photoelectric spectrometer. When using the line U I 5027 A, this method allows to determine isotopic concentrations in {sup 235}U down to 0,1 per cent. The relative precision is about 2 per cent for amounts of {sup 235}U over 1 per cent. For weaker amounts this line would allow relative measurements of better precision when using standard mixtures. (author) [French] L'analyse isotopique de l'uranium est effectuee a l'aide d'une lampe a cathode creuse et du spectrometre Fabry-Perot photo-electrique. On utilise la raie U I 5027 A. Cette methode permet de doser des melanges isotopiques dont la teneur en {sup 235}U, peut descendre jusqu'a 0,1 pour cent. La precision relative est de l'ordre de 2 pour cent pour des teneurs en {sup 235}U superieures a 1 pour cent. Pour des teneurs plus faibles cette raie {lambda} = 5027 A permettrait des mesures relatives de meilleure precision, en utilisant des melanges prealablement doses. (auteur)

  15. Laser-Induced Breakdown Spectroscopy for Qualitative Analysis of Metals in Simulated Martian Soils

    Science.gov (United States)

    Mowry, Curtis; Milofsky, Rob; Collins, William; Pimentel, Adam S.

    2017-01-01

    This laboratory introduces students to laser-induced breakdown spectroscopy (LIBS) for the analysis of metals in soil and rock samples. LIBS employs a laser-initiated spark to induce electronic excitation of metal atoms. Ensuing atomic emission allows for qualitative and semiquantitative analysis. The students use LIBS to analyze a series of…

  16. Nanomechanical IR spectroscopy for fast analysis of liquid-dispersed engineered nanomaterials

    DEFF Research Database (Denmark)

    Andersen, Alina Joukainen; Yamada, Shoko; Ek, Pramod Kumar

    2016-01-01

    The proliferated use of engineered nanomaterials (ENMs), e.g. in nanomedicine, calls for novel techniques allowing for fast and sensitive analysis of minute samples. Here we present nanomechanical IR spectroscopy (NAM-IR) for chemical analysis of picograms of ENMs. ENMs are nebulized directly from...

  17. OXSA: An open-source magnetic resonance spectroscopy analysis toolbox in MATLAB.

    Directory of Open Access Journals (Sweden)

    Lucian A B Purvis

    Full Text Available In vivo magnetic resonance spectroscopy provides insight into metabolism in the human body. New acquisition protocols are often proposed to improve the quality or efficiency of data collection. Processing pipelines must also be developed to use these data optimally. Current fitting software is either targeted at general spectroscopy fitting, or for specific protocols. We therefore introduce the MATLAB-based OXford Spectroscopy Analysis (OXSA toolbox to allow researchers to rapidly develop their own customised processing pipelines. The toolbox aims to simplify development by: being easy to install and use; seamlessly importing Siemens Digital Imaging and Communications in Medicine (DICOM standard data; allowing visualisation of spectroscopy data; offering a robust fitting routine; flexibly specifying prior knowledge when fitting; and allowing batch processing of spectra. This article demonstrates how each of these criteria have been fulfilled, and gives technical details about the implementation in MATLAB. The code is freely available to download from https://github.com/oxsatoolbox/oxsa.

  18. OXSA: An open-source magnetic resonance spectroscopy analysis toolbox in MATLAB.

    Science.gov (United States)

    Purvis, Lucian A B; Clarke, William T; Biasiolli, Luca; Valkovič, Ladislav; Robson, Matthew D; Rodgers, Christopher T

    2017-01-01

    In vivo magnetic resonance spectroscopy provides insight into metabolism in the human body. New acquisition protocols are often proposed to improve the quality or efficiency of data collection. Processing pipelines must also be developed to use these data optimally. Current fitting software is either targeted at general spectroscopy fitting, or for specific protocols. We therefore introduce the MATLAB-based OXford Spectroscopy Analysis (OXSA) toolbox to allow researchers to rapidly develop their own customised processing pipelines. The toolbox aims to simplify development by: being easy to install and use; seamlessly importing Siemens Digital Imaging and Communications in Medicine (DICOM) standard data; allowing visualisation of spectroscopy data; offering a robust fitting routine; flexibly specifying prior knowledge when fitting; and allowing batch processing of spectra. This article demonstrates how each of these criteria have been fulfilled, and gives technical details about the implementation in MATLAB. The code is freely available to download from https://github.com/oxsatoolbox/oxsa.

  19. Process correlation analysis model for process improvement identification.

    Science.gov (United States)

    Choi, Su-jin; Kim, Dae-Kyoo; Park, Sooyong

    2014-01-01

    Software process improvement aims at improving the development process of software systems. It is initiated by process assessment identifying strengths and weaknesses and based on the findings, improvement plans are developed. In general, a process reference model (e.g., CMMI) is used throughout the process of software process improvement as the base. CMMI defines a set of process areas involved in software development and what to be carried out in process areas in terms of goals and practices. Process areas and their elements (goals and practices) are often correlated due to the iterative nature of software development process. However, in the current practice, correlations of process elements are often overlooked in the development of an improvement plan, which diminishes the efficiency of the plan. This is mainly attributed to significant efforts and the lack of required expertise. In this paper, we present a process correlation analysis model that helps identify correlations of process elements from the results of process assessment. This model is defined based on CMMI and empirical data of improvement practices. We evaluate the model using industrial data.

  20. Study of dynamic behavior of EDTA molecule in solution using perturbed gamma-gamma angular correlation spectroscopy

    International Nuclear Information System (INIS)

    Amaral, Antonio A.; Silva, Andreia dos S.; Carbonari, Arthur W.; Lapolli, Andre L.

    2009-01-01

    In this work, PAC spectroscopy has been used to obtain the hyperfine parameters in EDTA molecules in solutions with pH 4.3 and pH 10.5 both measured at 77 K and 295 K using 181 Hf( 181 Ta) as probe nuclei. Both dynamic and static interactions were measured in aqueous solution, crystallized and re-hydrated samples in order to examine the motion and structure of EDTA-molecules. The hyperfine parameters, quadrupole interaction frequency (ν Q ), asymmetry (η), and the dynamic interaction frequency (λ) were obtained. The outcomes show that the rotational correlation time (τ CR ) is larger than the half-life of the intermediate state of probe nuclei. For samples with pH 4.3 and pH 10.5, it was observed an increase in ν Q when the temperature decreases, as expected, and also a variation of η, which is an evidence of a change in the EDTA molecule structure. 181 Hf is bound only to a single molecule site when the pH was 4.3, differently from the results for pH 10.5 sample, which showed two fractions with different ν Q indicating the possibility of 181 Hf being bonded to two different sites of the molecule. Measurements of the dehydrated sample presented different results leading us to conclude that the preparation procedure can causes alterations in the chemical bounds. Concluding, these results showed a systematic behavior of the 181 Hf-EDTA, with the variation of pH from 4 to approximately 11, and they are important to the knowledge of the dynamic behavior of this molecule. (author)

  1. Unfolding of hemoglobin variants--insights from urea gradient gel electrophoresis photon correlation spectroscopy and zeta potential measurements

    International Nuclear Information System (INIS)

    Bhattacharya, Jaydeep; GhoshMoulick, Ranjita; Choudhuri, Utpal; Chakrabarty, Prantar; Bhattacharya, Pranab K.; Lahiri, Prabir; Chakraborti, Bikas; Dasgupta, Anjan Kr.

    2004-01-01

    The unfolding pattern of crystal human hemoglobin and variants of hemoglobin obtained from hemolysate were studied using transverse urea gradient gel electrophoresis (TUGGE). A smooth sigmoid like increase of electrophoretic mobility was observed with increasing urea concentrations. A decrease in electrophoretic mobility resulted, if the protein was unfolded with guanidium hydrochloride (GdnHCl). The anomaly was resolved after the Stoke's radii (obtained using the photon correlation spectroscopy) and zeta potential (measured using laser Doppler velocimetry) measurements were made at different denaturant concentrations. Addition of denaturant led to formation of extended structure, irrespective of the nature of the denaturant, as indicated by increase in Stoke's radii in both cases (urea and GdnHCl). The unexpected increase in electrophoretic mobility in case of urea could be explained in terms of a critical redistribution of negative charge at intermediate stages of the unfolding process. In case of GdnHCl, the higher ionic strength masked the charge effect. The mobility, being solely dependent on size, decreased at higher denaturant concentration. Incidentally, folding loci of other hemoglobin variants (e.g. HbE) or that of post-translationally modified hemoglobin (e.g. HbA1c) could be determined by studying the charge distribution and hydrodynamic radius at varying denaturing stress and in each case the gel migration profile could be approximately scaled by the ratio of charge and hydrodynamic diameter of the protein. While unfolding induced charge effect was most pronounced in HbA0 (and crystal ferrous hemoglobin), the unfolding induced aggregation (manifested by the increase in Stoke's radii) was predominantly observed in the variant forms HbE and HbA1c. Representing the proteins by a plot, in which charge and hydrodynamic diameter are on independent axes, may be a useful way of characterizing protein variants having similar migration profiles on native gels

  2. Unfolding of hemoglobin variants--insights from urea gradient gel electrophoresis photon correlation spectroscopy and zeta potential measurements

    Energy Technology Data Exchange (ETDEWEB)

    Bhattacharya, Jaydeep; GhoshMoulick, Ranjita; Choudhuri, Utpal; Chakrabarty, Prantar; Bhattacharya, Pranab K.; Lahiri, Prabir; Chakraborti, Bikas; Dasgupta, Anjan Kr

    2004-09-27

    The unfolding pattern of crystal human hemoglobin and variants of hemoglobin obtained from hemolysate were studied using transverse urea gradient gel electrophoresis (TUGGE). A smooth sigmoid like increase of electrophoretic mobility was observed with increasing urea concentrations. A decrease in electrophoretic mobility resulted, if the protein was unfolded with guanidium hydrochloride (GdnHCl). The anomaly was resolved after the Stoke's radii (obtained using the photon correlation spectroscopy) and zeta potential (measured using laser Doppler velocimetry) measurements were made at different denaturant concentrations. Addition of denaturant led to formation of extended structure, irrespective of the nature of the denaturant, as indicated by increase in Stoke's radii in both cases (urea and GdnHCl). The unexpected increase in electrophoretic mobility in case of urea could be explained in terms of a critical redistribution of negative charge at intermediate stages of the unfolding process. In case of GdnHCl, the higher ionic strength masked the charge effect. The mobility, being solely dependent on size, decreased at higher denaturant concentration. Incidentally, folding loci of other hemoglobin variants (e.g. HbE) or that of post-translationally modified hemoglobin (e.g. HbA1c) could be determined by studying the charge distribution and hydrodynamic radius at varying denaturing stress and in each case the gel migration profile could be approximately scaled by the ratio of charge and hydrodynamic diameter of the protein. While unfolding induced charge effect was most pronounced in HbA0 (and crystal ferrous hemoglobin), the unfolding induced aggregation (manifested by the increase in Stoke's radii) was predominantly observed in the variant forms HbE and HbA1c. Representing the proteins by a plot, in which charge and hydrodynamic diameter are on independent axes, may be a useful way of characterizing protein variants having similar migration profiles on

  3. Mutational definition of binding requirements of an hnRNP-like protein in Arabidopsis using fluorescence correlation spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Leder, Verena [Molecular Cell Physiology, Faculty of Biology, Bielefeld University (Germany); Biomolecular Photonics, Faculty of Physics, Bielefeld University (Germany); Lummer, Martina [Molecular Cell Physiology, Faculty of Biology, Bielefeld University (Germany); Tegeler, Kathrin [Molecular Cell Physiology, Faculty of Biology, Bielefeld University (Germany); Biomolecular Photonics, Faculty of Physics, Bielefeld University (Germany); Humpert, Fabian [Biomolecular Photonics, Faculty of Physics, Bielefeld University (Germany); Lewinski, Martin [Molecular Cell Physiology, Faculty of Biology, Bielefeld University (Germany); Schüttpelz, Mark [Biomolecular Photonics, Faculty of Physics, Bielefeld University (Germany); Staiger, Dorothee, E-mail: dorothee.staiger@uni-bielefeld.de [Molecular Cell Physiology, Faculty of Biology, Bielefeld University (Germany)

    2014-10-10

    Highlights: • We use FCS to investigate binding site requirements for the hnRNP-like protein AtGRP7. • We identify three nucleotides critical for AtGRP7 binding to its own intron. • Mutation of the conserved R{sup 49} abolishes binding altogether. • The paralogue AtGRP8 binds to an overlapping motif with different sequence requirement. • The glycine-rich stretch of a plant hnRNP-like protein contributes to binding. - Abstract: Arabidopsis thaliana glycine-rich RNA binding protein 7 (AtGRP7) is part of a negative feedback loop through which it regulates alternative splicing and steady-state abundance of its pre-mRNA. Here we use fluorescence correlation spectroscopy to investigate the requirements for AtGRP7 binding to its intron using fluorescently-labelled synthetic oligonucleotides. By systematically introducing point mutations we identify three nucleotides that lead to an increased K{sub d} value when mutated and thus are critical for AtGRP7 binding. Simultaneous mutation of all three residues abrogates binding. The paralogue AtGRP8 binds to an overlapping motif but with a different sequence preference, in line with overlapping but not identical functions of this protein pair. Truncation of the glycine-rich domain reduces the binding affinity of AtGRP7, showing for the first time that the glycine-rich stretch of a plant hnRNP-like protein contributes to binding. Mutation of the conserved R{sup 49} that is crucial for AtGRP7 function in pathogen defence and splicing abolishes binding.

  4. Direct Vpr-Vpr Interaction in Cells monitored by two Photon Fluorescence Correlation Spectroscopy and Fluorescence Lifetime Imaging

    Directory of Open Access Journals (Sweden)

    Mély Yves

    2008-09-01

    Full Text Available Abstract Background The human immunodeficiency virus type 1 (HIV-1 encodes several regulatory proteins, notably Vpr which influences the survival of the infected cells by causing a G2/M arrest and apoptosis. Such an important role of Vpr in HIV-1 disease progression has fuelled a large number of studies, from its 3D structure to the characterization of specific cellular partners. However, no direct imaging and quantification of Vpr-Vpr interaction in living cells has yet been reported. To address this issue, eGFP- and mCherry proteins were tagged by Vpr, expressed in HeLa cells and their interaction was studied by two photon fluorescence lifetime imaging microscopy and fluorescence correlation spectroscopy. Results Results show that Vpr forms homo-oligomers at or close to the nuclear envelope. Moreover, Vpr dimers and trimers were found in the cytoplasm and in the nucleus. Point mutations in the three α helices of Vpr drastically impaired Vpr oligomerization and localization at the nuclear envelope while point mutations outside the helical regions had no effect. Theoretical structures of Vpr mutants reveal that mutations within the α-helices could perturb the leucine zipper like motifs. The ΔQ44 mutation has the most drastic effect since it likely disrupts the second helix. Finally, all Vpr point mutants caused cell apoptosis suggesting that Vpr-mediated apoptosis functions independently from Vpr oligomerization. Conclusion We report that Vpr oligomerization in HeLa cells relies on the hydrophobic core formed by the three α helices. This oligomerization is required for Vpr localization at the nuclear envelope but not for Vpr-mediated apoptosis.

  5. PCR-free detection of genetically modified organisms using magnetic capture technology and fluorescence cross-correlation spectroscopy.

    Directory of Open Access Journals (Sweden)

    Xiaoming Zhou

    2009-11-01

    Full Text Available The safety of genetically modified organisms (GMOs has attracted much attention recently. Polymerase chain reaction (PCR amplification is a common method used in the identification of GMOs. However, a major disadvantage of PCR is the potential amplification of non-target DNA, causing false-positive identification. Thus, there remains a need for a simple, reliable and ultrasensitive method to identify and quantify GMO in crops. This report is to introduce a magnetic bead-based PCR-free method for rapid detection of GMOs using dual-color fluorescence cross-correlation spectroscopy (FCCS. The cauliflower mosaic virus 35S (CaMV35S promoter commonly used in transgenic products was targeted. CaMV35S target was captured by a biotin-labeled nucleic acid probe and then purified using streptavidin-coated magnetic beads through biotin-streptavidin linkage. The purified target DNA fragment was hybridized with two nucleic acid probes labeled respectively by Rhodamine Green and Cy5 dyes. Finally, FCCS was used to detect and quantify the target DNA fragment through simultaneously detecting the fluorescence emissions from the two dyes. In our study, GMOs in genetically engineered soybeans and tomatoes were detected, using the magnetic bead-based PCR-free FCCS method. A detection limit of 50 pM GMOs target was achieved and PCR-free detection of GMOs from 5 microg genomic DNA with magnetic capture technology was accomplished. Also, the accuracy of GMO determination by the FCCS method is verified by spectrophotometry at 260 nm using PCR amplified target DNA fragment from GM tomato. The new method is rapid and effective as demonstrated in our experiments and can be easily extended to high-throughput and automatic screening format. We believe that the new magnetic bead-assisted FCCS detection technique will be a useful tool for PCR-free GMOs identification and other specific nucleic acids.

  6. Mutational definition of binding requirements of an hnRNP-like protein in Arabidopsis using fluorescence correlation spectroscopy

    International Nuclear Information System (INIS)

    Leder, Verena; Lummer, Martina; Tegeler, Kathrin; Humpert, Fabian; Lewinski, Martin; Schüttpelz, Mark; Staiger, Dorothee

    2014-01-01

    Highlights: • We use FCS to investigate binding site requirements for the hnRNP-like protein AtGRP7. • We identify three nucleotides critical for AtGRP7 binding to its own intron. • Mutation of the conserved R 49 abolishes binding altogether. • The paralogue AtGRP8 binds to an overlapping motif with different sequence requirement. • The glycine-rich stretch of a plant hnRNP-like protein contributes to binding. - Abstract: Arabidopsis thaliana glycine-rich RNA binding protein 7 (AtGRP7) is part of a negative feedback loop through which it regulates alternative splicing and steady-state abundance of its pre-mRNA. Here we use fluorescence correlation spectroscopy to investigate the requirements for AtGRP7 binding to its intron using fluorescently-labelled synthetic oligonucleotides. By systematically introducing point mutations we identify three nucleotides that lead to an increased K d value when mutated and thus are critical for AtGRP7 binding. Simultaneous mutation of all three residues abrogates binding. The paralogue AtGRP8 binds to an overlapping motif but with a different sequence preference, in line with overlapping but not identical functions of this protein pair. Truncation of the glycine-rich domain reduces the binding affinity of AtGRP7, showing for the first time that the glycine-rich stretch of a plant hnRNP-like protein contributes to binding. Mutation of the conserved R 49 that is crucial for AtGRP7 function in pathogen defence and splicing abolishes binding

  7. Complementary studies of lipid membrane dynamics using iSCAT and super-resolved fluorescence correlation spectroscopy

    Science.gov (United States)

    Reina, Francesco; Galiani, Silvia; Shrestha, Dilip; Sezgin, Erdinc; de Wit, Gabrielle; Cole, Daniel; Lagerholm, B. Christoffer; Kukura, Philipp; Eggeling, Christian

    2018-06-01

    Observation techniques with high spatial and temporal resolution, such as single-particle tracking based on interferometric scattering (iSCAT) microscopy, and fluorescence correlation spectroscopy applied on a super-resolution STED microscope (STED-FCS), have revealed new insights of the molecular organization of membranes. While delivering complementary information, there are still distinct differences between these techniques, most prominently the use of fluorescent dye tagged probes for STED-FCS and a need for larger scattering gold nanoparticle tags for iSCAT. In this work, we have used lipid analogues tagged with a hybrid fluorescent tag–gold nanoparticle construct, to directly compare the results from STED-FCS and iSCAT measurements of phospholipid diffusion on a homogeneous supported lipid bilayer (SLB). These comparative measurements showed that while the mode of diffusion remained free, at least at the spatial (>40 nm) and temporal (50  ⩽  t  ⩽  100 ms) scales probed, the diffussion coefficient was reduced by 20- to 60-fold when tagging with 20 and 40 nm large gold particles as compared to when using dye tagged lipid analogues. These FCS measurements of hybrid fluorescent tag–gold nanoparticle labeled lipids also revealed that commercially supplied streptavidin-coated gold nanoparticles contain large quantities of free streptavidin. Finally, the values of apparent diffusion coefficients obtained by STED-FCS and iSCAT differed by a factor of 2–3 across the techniques, while relative differences in mobility between different species of lipid analogues considered were identical in both approaches. In conclusion, our experiments reveal that large and potentially cross-linking scattering tags introduce a significant slow-down in diffusion on SLBs but no additional bias, and our labeling approach creates a new way of exploiting complementary information from STED-FCS and iSCAT measurements.

  8. A study of the dynamics of PTEN proteins in living cells using in vivo fluorescence correlation spectroscopy

    Science.gov (United States)

    Du, Zhixue; Dong, Chaoqing; Ren, Jicun

    2017-06-01

    PTEN (phosphatase and tensin homolog on chromosome 10) is one of the most important tumor-suppressor proteins, which plays a key role in negative regulation of the PI3K/AKT pathway, and governs many cellular processes including growth, proliferation, survival and migration. The dynamics of PTEN proteins in single living cells is as yet unclear owing to a shortage of suitable in vivo approaches. Here, we report a single-molecule method for in vivo study of the dynamics of PTEN proteins in living cells using fluorescence correlation spectroscopy (FCS). First, we established a monoclonal H1299 stable cell line expressing enhanced green fluorescent protein (EGFP) and PTEN (EGFP-PTEN) fusion proteins; we then developed an in vivo FCS method to study the dynamics of EGFP-PTEN both in the nucleus and the cytoplasm. We investigated the diffusion behaviors of EGFP and EGFP-PTEN in solution, nucleus and cytosol, and observed that the motion of PTEN in living cells was restricted compared with EGFP. Finally, we investigated the protein dynamics in living cells under oxidative stress stimulation and a cellular ATP depletion treatment. Under oxidative stress stimulation, the EGFP-PTEN concentration increased in the nucleus, but slightly decreased in the cytoplasm. The diffusion coefficient and alpha value of EGFP-PTEN reduced significantly both in the nucleus and cytoplasm; the significantly decreased alpha parameter indicates a more restricted Brownian diffusion behavior. Under the cellular ATP depletion treatment, the concentration of EGFP-PTEN remained unchanged in the nucleus and decreased significantly in cytosol. The diffusion coefficient of EGFP-PTEN decreased significantly in cytosol, but showed no significant change in the nucleus; the alpha value decreased significantly in both the nucleus and cytoplasm. These results suggest that the concentration and mobility of PTEN in the nucleus and cytoplasm can be regulated by stimulation methods. Our approach provides a unique

  9. Correlation analysis between ceramic insulator pollution and acoustic emissions

    Directory of Open Access Journals (Sweden)

    Benjamín Álvarez-Nasrallah

    2015-01-01

    Full Text Available Most of the studies related to insulator pollution are normally performed based on individual analysis among leakage current, relative humidity and equivalent salt deposit density (ESDD. This paper presents a correlation analysis between the leakage current and the acoustic emissions measured in a 230 kV electrical substations in the city of Barranquilla, Colombia. Furthermore, atmospheric variables were considered to develop a characterization model of the insulator contamination process. This model was used to demonstrate that noise emission levels are a reliable indicator to detect and characterize pollution on high voltage insulators. The correlation found amount the atmospheric, electrical and sound variables allowed to determine the relations for the maintenance of ceramic insulators in high-polluted areas. In this article, the results on the behavior of the leakage current in ceramic insulators and the sound produced with different atmospheric conditions are shown, which allow evaluating the best time to clean the insulator at the substation. Furthermore, by experimentation on site and using statistical models, the correlation between ambient variables and the leakage current of insulators in an electrical substation was obtained. Some of the problems that bring the external noise were overcome using multiple microphones and specialized software that enabled properly filter the sound and better measure the variables.

  10. Group sparse canonical correlation analysis for genomic data integration.

    Science.gov (United States)

    Lin, Dongdong; Zhang, Jigang; Li, Jingyao; Calhoun, Vince D; Deng, Hong-Wen; Wang, Yu-Ping

    2013-08-12

    The emergence of high-throughput genomic datasets from different sources and platforms (e.g., gene expression, single nucleotide polymorphisms (SNP), and copy number variation (CNV)) has greatly enhanced our understandings of the interplay of these genomic factors as well as their influences on the complex diseases. It is challenging to explore the relationship between these different types of genomic data sets. In this paper, we focus on a multivariate statistical method, canonical correlation analysis (CCA) method for this problem. Conventional CCA method does not work effectively if the number of data samples is significantly less than that of biomarkers, which is a typical case for genomic data (e.g., SNPs). Sparse CCA (sCCA) methods were introduced to overcome such difficulty, mostly using penalizations with l-1 norm (CCA-l1) or the combination of l-1and l-2 norm (CCA-elastic net). However, they overlook the structural or group effect within genomic data in the analysis, which often exist and are important (e.g., SNPs spanning a gene interact and work together as a group). We propose a new group sparse CCA method (CCA-sparse group) along with an effective numerical algorithm to study the mutual relationship between two different types of genomic data (i.e., SNP and gene expression). We then extend the model to a more general formulation that can include the existing sCCA models. We apply the model to feature/variable selection from two data sets and compare our group sparse CCA method with existing sCCA methods on both simulation and two real datasets (human gliomas data and NCI60 data). We use a graphical representation of the samples with a pair of canonical variates to demonstrate the discriminating characteristic of the selected features. Pathway analysis is further performed for biological interpretation of those features. The CCA-sparse group method incorporates group effects of features into the correlation analysis while performs individual feature

  11. Forensic comparative glass analysis by laser-induced breakdown spectroscopy

    International Nuclear Information System (INIS)

    Bridge, Candice M.; Powell, Joseph; Steele, Katie L.; Sigman, Michael E.

    2007-01-01

    Glass samples of four types commonly encountered in forensic examinations have been analyzed by laser-induced breakdown spectroscopy (LIBS) for the purpose of discriminating between samples originating from different sources. Some of the glass sets were also examined by laser ablation-inductively coupled plasma-mass spectrometry (LA-ICP-MS). Refractive index (RI) measurements were also made on all glass samples and the refractive index data was combined with the LIBS and with the LA-ICP-MS data to enhance discrimination. The glass types examined included float glass taken from front and side automobile windows (examined on the non-float side), automobile headlamp glass, automobile side-mirror glass and brown beverage container glass. The largest overall discrimination was obtained by employing RI data in combination with LA-ICP-MS (98.8% discrimination of 666 pairwise comparisons at 95% confidence), while LIBS in combination with RI provided a somewhat lower discrimination (87.2% discrimination of 1122 pairwise comparisons at 95% confidence). Samples of side-mirror glass were less discriminated by LIBS due to a larger variance in emission intensities, while discrimination of side-mirror glass by LA-ICP-MS remained high

  12. [Surface-enhanced Raman spectroscopy analysis of thiabendazole pesticide].

    Science.gov (United States)

    Lin, Lei; Wu, Rui-mei; Liu, Mu-hua; Wang, Xiao-bin; Yan, Lin-yuan

    2015-02-01

    Surface-enhanced Raman spectroscopy (SERS) technique was used to analyze the Raman peaks of thiabendazole pesticides in the present paper. Surface enhanced substrates of silver nanoparticle were made based on microwave technology. Raman signals of thiabendazole were collected by laser Micro-Raman spectrometer with 514. 5 and 785 nm excitation wavelengths, respectively. The Raman peaks at different excitation wavelengths were analyzed and compared. The Raman peaks 782 and 1 012 at 785 nm excitation wavelength were stronger, which were C--H out-of-plane vibrations. While 1284, 1450 and 1592 cm(-1) at 514.5 nm excitation wavelength were stronger, which were vng and C==N stretching. The study results showed that the intensity of Raman peak and Raman shift at different excitation wavelengths were different And strong Raman signals were observed at 782, 1012, 1284, 1450 and 1592 cm(-1) at 514.5 and 785 nm excitation wavelengths. These characteristic vibrational modes are characteristic Raman peaks of carbendazim pesticide. The results can provide basis for the rapid screening of pesticide residue in agricultural products and food based on Raman spectrum.

  13. Estimation of Sensory Analysis Cupping Test Arabica Coffee Using NIR Spectroscopy

    Science.gov (United States)

    Safrizal; Sutrisno; Lilik, P. E. N.; Ahmad, U.; Samsudin

    2018-05-01

    Flavors have become the most important coffee quality parameters now day, many coffee consuming countries require certain taste scores for the coffee to be ordered, the currently used cupping method of appraisal is the method designed by The Specialty Coffee Association Of America (SCAA), from several previous studies was found that Near-Infrared Spectroscopy (NIRS) can be used to detect chemical composition of certain materials including those associated with flavor so it is possible also to be applied to coffee powder. The aim of this research is to get correlation between NIRS spectrum with cupping scoring by tester, then look at the possibility of testing coffee taste sensors using NIRS spectrum. The coffee samples were taken from various places, altitudes and postharvest handling methods, then the samples were prepared following the SCAA protocol, for sensory analysis was done in two ways, with the expert tester and with the NIRS test. The calibration between both found that Without pretreatment using PLS get RMSE cross validation 6.14, using Multiplicative Scatter Correction spectra obtained RMSE cross validation 5.43, the best RMSE cross-validation was 1.73 achieved by de-trending correction, NIRS can be used to predict the score of cupping.

  14. Correlation analysis of the physiological factors controlling fundamental voice frequency.

    Science.gov (United States)

    Atkinson, J E

    1978-01-01

    A technique has been developed to obtain a quantitative measure of correlation between electromyographic (EMG) activity of various laryngeal muscles, subglottal air pressure, and the fundamental frequency of vibration of the vocal folds (Fo). Data were collected and analyzed on one subject, a native speaker of American English. The results show that an analysis of this type can provide a useful measure of correlation between the physiological and acoustical events in speech and, furthermore, can yield detailed insights into the organization and nature of the speech production process. In particular, based on these results, a model is suggested of Fo control involving laryngeal state functions that seems to agree with present knowledge of laryngeal control and experimental evidence.

  15. On discriminant analysis techniques and correlation structures in high dimensions

    DEFF Research Database (Denmark)

    Clemmensen, Line Katrine Harder

    This paper compares several recently proposed techniques for performing discriminant analysis in high dimensions, and illustrates that the various sparse methods dier in prediction abilities depending on their underlying assumptions about the correlation structures in the data. The techniques...... the methods in two: Those who assume independence between the variables and thus use a diagonal estimate of the within-class covariance matrix, and those who assume dependence between the variables and thus use an estimate of the within-class covariance matrix, which also estimates the correlations between...... variables. The two groups of methods are compared and the pros and cons are exemplied using dierent cases of simulated data. The results illustrate that the estimate of the covariance matrix is an important factor with respect to choice of method, and the choice of method should thus be driven by the nature...

  16. Long-range correlation analysis of urban traffic data

    International Nuclear Information System (INIS)

    Peng, Sheng; Jun-Feng, Wang; Shu-Long, Zhao; Tie-Qiao, Tang

    2010-01-01

    This paper investigates urban traffic data by analysing the long-range correlation with detrended fluctuation analysis. Through a large number of real data collected by the travel time detection system in Beijing, the variation of flow in different time periods and intersections is studied. According to the long-range correlation in different time scales, it mainly discusses the effect of intersection location in road net, people activity customs and special traffic controls on urban traffic flow. As demonstrated by the obtained results, the urban traffic flow represents three-phase characters similar to highway traffic. Moreover, compared by the two groups of data obtained before and after the special traffic restrictions (vehicles with special numbered plates only run in a special workday) enforcement, it indicates that the rules not only reduce the flow but also avoid irregular fluctuation. (general)

  17. Intracellular dynamics and fate of polystyrene nanoparticles in A549 Lung epithelial cells monitored by image (cross-) correlation spectroscopy and single particle tracking.

    Science.gov (United States)

    Deville, Sarah; Penjweini, Rozhin; Smisdom, Nick; Notelaers, Kristof; Nelissen, Inge; Hooyberghs, Jef; Ameloot, Marcel

    2015-10-01

    Novel insights in nanoparticle (NP) uptake routes of cells, their intracellular trafficking and subcellular targeting can be obtained through the investigation of their temporal and spatial behavior. In this work, we present the application of image (cross-) correlation spectroscopy (IC(C)S) and single particle tracking (SPT) to monitor the intracellular dynamics of polystyrene (PS) NPs in the human lung carcinoma A549 cell line. The ensemble kinetic behavior of NPs inside the cell was characterized by temporal and spatiotemporal image correlation spectroscopy (TICS and STICS). Moreover, a more direct interpretation of the diffusion and flow detected in the NP motion was obtained by SPT by monitoring individual NPs. Both techniques demonstrate that the PS NP transport in A549 cells is mainly dependent on microtubule-assisted transport. By applying spatiotemporal image cross-correlation spectroscopy (STICCS), the correlated motions of NPs with the early endosomes, late endosomes and lysosomes are identified. PS NPs were equally distributed among the endolysosomal compartment during the time interval of the experiments. The cotransport of the NPs with the lysosomes is significantly larger compared to the other cell organelles. In the present study we show that the complementarity of ICS-based techniques and SPT enables a consistent elaborate model of the complex behavior of NPs inside biological systems. Copyright © 2015 Elsevier B.V. All rights reserved.

  18. Analysis of input variables of an artificial neural network using bivariate correlation and canonical correlation

    Energy Technology Data Exchange (ETDEWEB)

    Costa, Valter Magalhaes; Pereira, Iraci Martinez, E-mail: valter.costa@usp.b [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)

    2011-07-01

    The monitoring of variables and diagnosis of sensor fault in nuclear power plants or processes industries is very important because a previous diagnosis allows the correction of the fault and, like this, to prevent the production stopped, improving operator's security and it's not provoking economics losses. The objective of this work is to build a set, using bivariate correlation and canonical correlation, which will be the set of input variables of an artificial neural network to monitor the greater number of variables. This methodology was applied to the IEA-R1 Research Reactor at IPEN. Initially, for the input set of neural network we selected the variables: nuclear power, primary circuit flow rate, control/safety rod position and difference in pressure in the core of the reactor, because almost whole of monitoring variables have relation with the variables early described or its effect can be result of the interaction of two or more. The nuclear power is related to the increasing and decreasing of temperatures as well as the amount radiation due fission of the uranium; the rods are controls of power and influence in the amount of radiation and increasing and decreasing of temperatures; the primary circuit flow rate has the function of energy transport by removing the nucleus heat. An artificial neural network was trained and the results were satisfactory since the IEA-R1 Data Acquisition System reactor monitors 64 variables and, with a set of 9 input variables resulting from the correlation analysis, it was possible to monitor 51 variables. (author)

  19. Analysis of input variables of an artificial neural network using bivariate correlation and canonical correlation

    International Nuclear Information System (INIS)

    Costa, Valter Magalhaes; Pereira, Iraci Martinez

    2011-01-01

    The monitoring of variables and diagnosis of sensor fault in nuclear power plants or processes industries is very important because a previous diagnosis allows the correction of the fault and, like this, to prevent the production stopped, improving operator's security and it's not provoking economics losses. The objective of this work is to build a set, using bivariate correlation and canonical correlation, which will be the set of input variables of an artificial neural network to monitor the greater number of variables. This methodology was applied to the IEA-R1 Research Reactor at IPEN. Initially, for the input set of neural network we selected the variables: nuclear power, primary circuit flow rate, control/safety rod position and difference in pressure in the core of the reactor, because almost whole of monitoring variables have relation with the variables early described or its effect can be result of the interaction of two or more. The nuclear power is related to the increasing and decreasing of temperatures as well as the amount radiation due fission of the uranium; the rods are controls of power and influence in the amount of radiation and increasing and decreasing of temperatures; the primary circuit flow rate has the function of energy transport by removing the nucleus heat. An artificial neural network was trained and the results were satisfactory since the IEA-R1 Data Acquisition System reactor monitors 64 variables and, with a set of 9 input variables resulting from the correlation analysis, it was possible to monitor 51 variables. (author)

  20. Correlation between the structure and the piezoelectric properties of lead-free (K,Na,Li)(Nb,Ta,Sb)O3 ceramics studied by XRD and Raman spectroscopy.

    Science.gov (United States)

    Rubio-Marcos, Fernando; Marchet, Pascal; Romero, Juan José; Fernández, Jose F

    2011-09-01

    This article reviews on the use of Raman spectroscopy for the study of (K,Na,Li)(Nb,Ta,Sb)O(3) lead-free piezoceramics. Currently, this material appears to be one of the most interesting and promising alternatives to the well-known PZT piezoelectric materials. In this work, we prepare piezoceramics with different stoichiometries and study their structural, ferroelectric, and piezoelectric properties. By using both Raman spectroscopy and X-ray diffraction, we establish a direct correlation between the structure and the properties. The results demonstrate that the wavenumber of the A(1g) vibration is proportional to the tetragonality, the remnant polarization, and the piezoelectric coefficients of these materials. Thus, Raman spectroscopy appears as a very useful technique for a fast evaluation of the crystalline structure and the ferroelectric/ piezoelectric properties.